USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=20 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 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 120 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-11!) USER MOD Set 2.1: A 58 ASN : amide:sc= -3.51 K(o=-3.5,f=-7.6!) USER MOD Set 2.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 66 MET CE :methyl -152:sc= -2.66 (180deg=-4.61!) USER MOD Set 3.2: A 82 LYS NZ :NH3+ -175:sc= -3.61! (180deg=-3.75!) USER MOD Set 4.1: A 21 GLN : amide:sc= -5.23! C(o=-8.2!,f=-7.5!) USER MOD Set 4.2: A 79 GLN : amide:sc= -2.96 K(o=-8.2,f=-4.6) USER MOD Single : A 12 CYS SG : rot -51:sc= -1.19! USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0.033) 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 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.993 X(o=-0.99,f=-0.77) USER MOD Single : A 32 TYR OH : rot 90:sc= -3.17! USER MOD Single : A 33 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.1) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -65:sc= 0.399 USER MOD Single : A 59 THR OG1 : rot -82:sc= 1.28 USER MOD Single : A 61 TYR OH : rot 165:sc= -4.12! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 130:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -159:sc= -1.05! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 55:sc= 1.22 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0693 X(o=-0.069,f=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot -104:sc= 0.115 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= -2.06 K(o=-2.1,f=-2.6!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 124 N ARG A 8 118.312 -2.078 -8.606 1.00 0.00 N ATOM 125 CA ARG A 8 118.544 -0.670 -8.305 1.00 0.00 C ATOM 126 C ARG A 8 118.704 -0.451 -6.804 1.00 0.00 C ATOM 127 O ARG A 8 117.733 -0.131 -6.116 1.00 0.00 O ATOM 128 CB ARG A 8 117.391 0.183 -8.837 1.00 0.00 C ATOM 129 CG ARG A 8 117.443 1.630 -8.378 1.00 0.00 C ATOM 130 CD ARG A 8 116.635 2.535 -9.296 1.00 0.00 C ATOM 131 NE ARG A 8 117.433 3.035 -10.412 1.00 0.00 N ATOM 132 CZ ARG A 8 116.940 3.786 -11.390 1.00 0.00 C ATOM 133 NH1 ARG A 8 115.657 4.120 -11.391 1.00 0.00 N ATOM 134 NH2 ARG A 8 117.729 4.203 -12.370 1.00 0.00 N ATOM 0 HA ARG A 8 119.468 -0.368 -8.797 1.00 0.00 H new ATOM 0 HB2 ARG A 8 117.402 0.156 -9.927 1.00 0.00 H new ATOM 0 HB3 ARG A 8 116.447 -0.257 -8.517 1.00 0.00 H new ATOM 0 HG2 ARG A 8 117.058 1.704 -7.361 1.00 0.00 H new ATOM 0 HG3 ARG A 8 118.479 1.968 -8.352 1.00 0.00 H new ATOM 0 HD2 ARG A 8 115.776 1.986 -9.682 1.00 0.00 H new ATOM 0 HD3 ARG A 8 116.245 3.377 -8.724 1.00 0.00 H new ATOM 0 HE ARG A 8 118.424 2.794 -10.442 1.00 0.00 H new ATOM 0 HH11 ARG A 8 115.046 3.800 -10.639 1.00 0.00 H new ATOM 0 HH12 ARG A 8 115.281 4.697 -12.143 1.00 0.00 H new ATOM 0 HH21 ARG A 8 118.716 3.947 -12.374 1.00 0.00 H new ATOM 0 HH22 ARG A 8 117.349 4.780 -13.120 1.00 0.00 H new ATOM 148 N ALA A 9 119.940 -0.630 -6.321 1.00 0.00 N ATOM 149 CA ALA A 9 120.281 -0.461 -4.903 1.00 0.00 C ATOM 150 C ALA A 9 119.048 -0.319 -4.016 1.00 0.00 C ATOM 151 O ALA A 9 118.657 -1.261 -3.327 1.00 0.00 O ATOM 152 CB ALA A 9 121.208 0.737 -4.726 1.00 0.00 C ATOM 0 H ALA A 9 120.733 -0.897 -6.904 1.00 0.00 H new ATOM 0 HA ALA A 9 120.795 -1.368 -4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 9 121.455 0.853 -3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 9 122.123 0.577 -5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 9 120.710 1.638 -5.084 1.00 0.00 H new ATOM 158 N ARG A 10 118.442 0.864 -4.039 1.00 0.00 N ATOM 159 CA ARG A 10 117.256 1.137 -3.235 1.00 0.00 C ATOM 160 C ARG A 10 116.382 -0.103 -3.106 1.00 0.00 C ATOM 161 O ARG A 10 116.367 -0.759 -2.063 1.00 0.00 O ATOM 162 CB ARG A 10 116.450 2.282 -3.854 1.00 0.00 C ATOM 163 CG ARG A 10 116.473 3.557 -3.028 1.00 0.00 C ATOM 164 CD ARG A 10 117.226 4.669 -3.741 1.00 0.00 C ATOM 165 NE ARG A 10 117.820 5.617 -2.802 1.00 0.00 N ATOM 166 CZ ARG A 10 118.159 6.860 -3.127 1.00 0.00 C ATOM 167 NH1 ARG A 10 117.962 7.302 -4.361 1.00 0.00 N ATOM 168 NH2 ARG A 10 118.696 7.662 -2.217 1.00 0.00 N ATOM 0 H ARG A 10 118.754 1.651 -4.608 1.00 0.00 H new ATOM 0 HA ARG A 10 117.585 1.428 -2.237 1.00 0.00 H new ATOM 0 HB2 ARG A 10 116.843 2.496 -4.848 1.00 0.00 H new ATOM 0 HB3 ARG A 10 115.416 1.960 -3.982 1.00 0.00 H new ATOM 0 HG2 ARG A 10 115.452 3.879 -2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 10 116.941 3.359 -2.064 1.00 0.00 H new ATOM 0 HD2 ARG A 10 118.009 4.236 -4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 10 116.545 5.198 -4.408 1.00 0.00 H new ATOM 0 HE ARG A 10 117.984 5.308 -1.844 1.00 0.00 H new ATOM 0 HH11 ARG A 10 117.550 6.688 -5.063 1.00 0.00 H new ATOM 0 HH12 ARG A 10 118.223 8.256 -4.609 1.00 0.00 H new ATOM 0 HH21 ARG A 10 118.849 7.325 -1.267 1.00 0.00 H new ATOM 0 HH22 ARG A 10 118.956 8.616 -2.468 1.00 0.00 H new ATOM 182 N GLU A 11 115.654 -0.419 -4.169 1.00 0.00 N ATOM 183 CA GLU A 11 114.776 -1.580 -4.171 1.00 0.00 C ATOM 184 C GLU A 11 115.567 -2.861 -3.930 1.00 0.00 C ATOM 185 O GLU A 11 115.073 -3.797 -3.304 1.00 0.00 O ATOM 186 CB GLU A 11 114.022 -1.672 -5.499 1.00 0.00 C ATOM 187 CG GLU A 11 113.666 -0.319 -6.092 1.00 0.00 C ATOM 188 CD GLU A 11 114.415 -0.030 -7.377 1.00 0.00 C ATOM 189 OE1 GLU A 11 114.419 -0.902 -8.270 1.00 0.00 O ATOM 190 OE2 GLU A 11 115.000 1.067 -7.489 1.00 0.00 O ATOM 0 H GLU A 11 115.655 0.112 -5.040 1.00 0.00 H new ATOM 0 HA GLU A 11 114.057 -1.463 -3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 11 114.631 -2.224 -6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 11 113.107 -2.245 -5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 11 112.594 -0.282 -6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 11 113.886 0.462 -5.364 1.00 0.00 H new ATOM 197 N CYS A 12 116.797 -2.896 -4.429 1.00 0.00 N ATOM 198 CA CYS A 12 117.650 -4.066 -4.264 1.00 0.00 C ATOM 199 C CYS A 12 117.883 -4.364 -2.788 1.00 0.00 C ATOM 200 O CYS A 12 117.931 -5.525 -2.376 1.00 0.00 O ATOM 201 CB CYS A 12 118.991 -3.846 -4.969 1.00 0.00 C ATOM 202 SG CYS A 12 119.730 -5.354 -5.637 1.00 0.00 S ATOM 0 H CYS A 12 117.225 -2.130 -4.950 1.00 0.00 H new ATOM 0 HA CYS A 12 117.145 -4.921 -4.714 1.00 0.00 H new ATOM 0 HB2 CYS A 12 118.850 -3.133 -5.781 1.00 0.00 H new ATOM 0 HB3 CYS A 12 119.689 -3.393 -4.265 1.00 0.00 H new ATOM 0 HG CYS A 12 119.761 -6.268 -4.713 1.00 0.00 H new ATOM 208 N ALA A 13 118.024 -3.309 -1.997 1.00 0.00 N ATOM 209 CA ALA A 13 118.258 -3.451 -0.567 1.00 0.00 C ATOM 210 C ALA A 13 117.095 -4.171 0.115 1.00 0.00 C ATOM 211 O ALA A 13 117.300 -4.938 1.056 1.00 0.00 O ATOM 212 CB ALA A 13 118.487 -2.081 0.059 1.00 0.00 C ATOM 0 H ALA A 13 117.980 -2.343 -2.323 1.00 0.00 H new ATOM 0 HA ALA A 13 119.151 -4.059 -0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 13 118.661 -2.194 1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 13 119.355 -1.611 -0.402 1.00 0.00 H new ATOM 0 HB3 ALA A 13 117.608 -1.456 -0.101 1.00 0.00 H new ATOM 218 N VAL A 14 115.878 -3.929 -0.364 1.00 0.00 N ATOM 219 CA VAL A 14 114.698 -4.563 0.217 1.00 0.00 C ATOM 220 C VAL A 14 114.798 -6.083 0.173 1.00 0.00 C ATOM 221 O VAL A 14 114.359 -6.769 1.095 1.00 0.00 O ATOM 222 CB VAL A 14 113.404 -4.118 -0.491 1.00 0.00 C ATOM 223 CG1 VAL A 14 113.389 -2.610 -0.675 1.00 0.00 C ATOM 224 CG2 VAL A 14 113.238 -4.824 -1.827 1.00 0.00 C ATOM 0 H VAL A 14 115.683 -3.304 -1.146 1.00 0.00 H new ATOM 0 HA VAL A 14 114.658 -4.241 1.258 1.00 0.00 H new ATOM 0 HB VAL A 14 112.561 -4.398 0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 14 112.468 -2.314 -1.177 1.00 0.00 H new ATOM 0 HG12 VAL A 14 113.444 -2.124 0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 14 114.244 -2.309 -1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 14 112.316 -4.490 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 14 114.085 -4.588 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 14 113.193 -5.901 -1.666 1.00 0.00 H new ATOM 234 N GLN A 15 115.395 -6.606 -0.892 1.00 0.00 N ATOM 235 CA GLN A 15 115.564 -8.042 -1.039 1.00 0.00 C ATOM 236 C GLN A 15 116.425 -8.560 0.095 1.00 0.00 C ATOM 237 O GLN A 15 116.128 -9.586 0.707 1.00 0.00 O ATOM 238 CB GLN A 15 116.206 -8.375 -2.387 1.00 0.00 C ATOM 239 CG GLN A 15 115.732 -7.483 -3.523 1.00 0.00 C ATOM 240 CD GLN A 15 115.187 -8.275 -4.696 1.00 0.00 C ATOM 241 OE1 GLN A 15 115.943 -8.743 -5.547 1.00 0.00 O ATOM 242 NE2 GLN A 15 113.869 -8.427 -4.746 1.00 0.00 N ATOM 0 H GLN A 15 115.769 -6.055 -1.665 1.00 0.00 H new ATOM 0 HA GLN A 15 114.586 -8.523 -1.004 1.00 0.00 H new ATOM 0 HB2 GLN A 15 117.289 -8.289 -2.296 1.00 0.00 H new ATOM 0 HB3 GLN A 15 115.989 -9.414 -2.637 1.00 0.00 H new ATOM 0 HG2 GLN A 15 114.959 -6.809 -3.153 1.00 0.00 H new ATOM 0 HG3 GLN A 15 116.561 -6.861 -3.862 1.00 0.00 H new ATOM 0 HE21 GLN A 15 113.281 -8.021 -4.018 1.00 0.00 H new ATOM 0 HE22 GLN A 15 113.445 -8.949 -5.512 1.00 0.00 H new ATOM 251 N ALA A 16 117.478 -7.812 0.391 1.00 0.00 N ATOM 252 CA ALA A 16 118.374 -8.158 1.473 1.00 0.00 C ATOM 253 C ALA A 16 117.668 -7.928 2.795 1.00 0.00 C ATOM 254 O ALA A 16 117.934 -8.609 3.785 1.00 0.00 O ATOM 255 CB ALA A 16 119.639 -7.335 1.377 1.00 0.00 C ATOM 0 H ALA A 16 117.729 -6.959 -0.108 1.00 0.00 H new ATOM 0 HA ALA A 16 118.653 -9.209 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 16 120.309 -7.601 2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 16 120.131 -7.534 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 16 119.390 -6.276 1.442 1.00 0.00 H new ATOM 261 N LEU A 17 116.729 -6.983 2.788 1.00 0.00 N ATOM 262 CA LEU A 17 115.949 -6.693 3.975 1.00 0.00 C ATOM 263 C LEU A 17 115.158 -7.933 4.341 1.00 0.00 C ATOM 264 O LEU A 17 114.924 -8.219 5.515 1.00 0.00 O ATOM 265 CB LEU A 17 115.008 -5.512 3.730 1.00 0.00 C ATOM 266 CG LEU A 17 114.992 -4.457 4.838 1.00 0.00 C ATOM 267 CD1 LEU A 17 114.059 -3.313 4.472 1.00 0.00 C ATOM 268 CD2 LEU A 17 114.580 -5.082 6.162 1.00 0.00 C ATOM 0 H LEU A 17 116.496 -6.412 1.976 1.00 0.00 H new ATOM 0 HA LEU A 17 116.614 -6.420 4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 17 115.291 -5.030 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 17 113.996 -5.895 3.599 1.00 0.00 H new ATOM 0 HG LEU A 17 115.999 -4.055 4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 17 114.060 -2.572 5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 17 114.399 -2.848 3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 17 113.048 -3.697 4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 17 114.574 -4.318 6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 17 113.582 -5.511 6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 17 115.288 -5.866 6.430 1.00 0.00 H new ATOM 280 N TYR A 18 114.772 -8.686 3.311 1.00 0.00 N ATOM 281 CA TYR A 18 114.033 -9.924 3.514 1.00 0.00 C ATOM 282 C TYR A 18 114.934 -10.957 4.181 1.00 0.00 C ATOM 283 O TYR A 18 114.492 -11.736 5.026 1.00 0.00 O ATOM 284 CB TYR A 18 113.513 -10.463 2.179 1.00 0.00 C ATOM 285 CG TYR A 18 112.681 -11.717 2.314 1.00 0.00 C ATOM 286 CD1 TYR A 18 111.697 -11.819 3.291 1.00 0.00 C ATOM 287 CD2 TYR A 18 112.879 -12.800 1.467 1.00 0.00 C ATOM 288 CE1 TYR A 18 110.935 -12.965 3.418 1.00 0.00 C ATOM 289 CE2 TYR A 18 112.120 -13.948 1.588 1.00 0.00 C ATOM 290 CZ TYR A 18 111.150 -14.025 2.565 1.00 0.00 C ATOM 291 OH TYR A 18 110.393 -15.168 2.689 1.00 0.00 O ATOM 0 H TYR A 18 114.959 -8.459 2.334 1.00 0.00 H new ATOM 0 HA TYR A 18 113.179 -9.722 4.160 1.00 0.00 H new ATOM 0 HB2 TYR A 18 112.915 -9.691 1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 18 114.361 -10.668 1.525 1.00 0.00 H new ATOM 0 HD1 TYR A 18 111.525 -10.990 3.961 1.00 0.00 H new ATOM 0 HD2 TYR A 18 113.639 -12.744 0.701 1.00 0.00 H new ATOM 0 HE1 TYR A 18 110.175 -13.029 4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 18 112.286 -14.781 0.921 1.00 0.00 H new ATOM 0 HH TYR A 18 110.670 -15.819 2.011 1.00 0.00 H new ATOM 301 N SER A 19 116.207 -10.942 3.797 1.00 0.00 N ATOM 302 CA SER A 19 117.198 -11.857 4.351 1.00 0.00 C ATOM 303 C SER A 19 117.466 -11.535 5.817 1.00 0.00 C ATOM 304 O SER A 19 117.789 -12.418 6.611 1.00 0.00 O ATOM 305 CB SER A 19 118.501 -11.778 3.552 1.00 0.00 C ATOM 306 OG SER A 19 118.527 -12.749 2.519 1.00 0.00 O ATOM 0 H SER A 19 116.578 -10.299 3.097 1.00 0.00 H new ATOM 0 HA SER A 19 116.802 -12.870 4.283 1.00 0.00 H new ATOM 0 HB2 SER A 19 118.607 -10.782 3.122 1.00 0.00 H new ATOM 0 HB3 SER A 19 119.350 -11.929 4.219 1.00 0.00 H new ATOM 0 HG SER A 19 119.369 -12.676 2.023 1.00 0.00 H new ATOM 312 N TRP A 20 117.337 -10.259 6.163 1.00 0.00 N ATOM 313 CA TRP A 20 117.569 -9.801 7.529 1.00 0.00 C ATOM 314 C TRP A 20 116.630 -10.505 8.499 1.00 0.00 C ATOM 315 O TRP A 20 117.060 -11.027 9.528 1.00 0.00 O ATOM 316 CB TRP A 20 117.345 -8.291 7.607 1.00 0.00 C ATOM 317 CG TRP A 20 117.977 -7.643 8.801 1.00 0.00 C ATOM 318 CD1 TRP A 20 119.071 -8.077 9.492 1.00 0.00 C ATOM 319 CD2 TRP A 20 117.546 -6.437 9.443 1.00 0.00 C ATOM 320 NE1 TRP A 20 119.348 -7.213 10.526 1.00 0.00 N ATOM 321 CE2 TRP A 20 118.424 -6.199 10.516 1.00 0.00 C ATOM 322 CE3 TRP A 20 116.502 -5.538 9.214 1.00 0.00 C ATOM 323 CZ2 TRP A 20 118.290 -5.094 11.358 1.00 0.00 C ATOM 324 CZ3 TRP A 20 116.369 -4.443 10.049 1.00 0.00 C ATOM 325 CH2 TRP A 20 117.259 -4.229 11.109 1.00 0.00 C ATOM 0 H TRP A 20 117.072 -9.519 5.513 1.00 0.00 H new ATOM 0 HA TRP A 20 118.597 -10.037 7.805 1.00 0.00 H new ATOM 0 HB2 TRP A 20 117.741 -7.828 6.703 1.00 0.00 H new ATOM 0 HB3 TRP A 20 116.273 -8.093 7.624 1.00 0.00 H new ATOM 0 HD1 TRP A 20 119.636 -8.968 9.261 1.00 0.00 H new ATOM 0 HE1 TRP A 20 120.115 -7.310 11.191 1.00 0.00 H new ATOM 0 HE3 TRP A 20 115.811 -5.695 8.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 118.975 -4.928 12.176 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 115.565 -3.741 9.881 1.00 0.00 H new ATOM 0 HH2 TRP A 20 117.129 -3.364 11.743 1.00 0.00 H new ATOM 336 N GLN A 21 115.348 -10.517 8.163 1.00 0.00 N ATOM 337 CA GLN A 21 114.346 -11.161 9.004 1.00 0.00 C ATOM 338 C GLN A 21 114.583 -12.667 9.079 1.00 0.00 C ATOM 339 O GLN A 21 114.394 -13.283 10.128 1.00 0.00 O ATOM 340 CB GLN A 21 112.941 -10.880 8.466 1.00 0.00 C ATOM 341 CG GLN A 21 112.472 -11.889 7.431 1.00 0.00 C ATOM 342 CD GLN A 21 111.769 -13.080 8.054 1.00 0.00 C ATOM 343 OE1 GLN A 21 112.177 -13.576 9.104 1.00 0.00 O ATOM 344 NE2 GLN A 21 110.706 -13.545 7.407 1.00 0.00 N ATOM 0 H GLN A 21 114.976 -10.089 7.315 1.00 0.00 H new ATOM 0 HA GLN A 21 114.432 -10.748 10.009 1.00 0.00 H new ATOM 0 HB2 GLN A 21 112.237 -10.872 9.298 1.00 0.00 H new ATOM 0 HB3 GLN A 21 112.923 -9.884 8.024 1.00 0.00 H new ATOM 0 HG2 GLN A 21 111.796 -11.398 6.731 1.00 0.00 H new ATOM 0 HG3 GLN A 21 113.329 -12.238 6.855 1.00 0.00 H new ATOM 0 HE21 GLN A 21 110.403 -13.102 6.539 1.00 0.00 H new ATOM 0 HE22 GLN A 21 110.193 -14.345 7.778 1.00 0.00 H new ATOM 353 N LEU A 22 114.993 -13.253 7.958 1.00 0.00 N ATOM 354 CA LEU A 22 115.250 -14.689 7.896 1.00 0.00 C ATOM 355 C LEU A 22 116.602 -15.044 8.511 1.00 0.00 C ATOM 356 O LEU A 22 116.699 -15.955 9.333 1.00 0.00 O ATOM 357 CB LEU A 22 115.198 -15.171 6.444 1.00 0.00 C ATOM 358 CG LEU A 22 113.896 -14.861 5.704 1.00 0.00 C ATOM 359 CD1 LEU A 22 114.114 -14.907 4.200 1.00 0.00 C ATOM 360 CD2 LEU A 22 112.805 -15.836 6.117 1.00 0.00 C ATOM 0 H LEU A 22 115.154 -12.757 7.081 1.00 0.00 H new ATOM 0 HA LEU A 22 114.474 -15.190 8.474 1.00 0.00 H new ATOM 0 HB2 LEU A 22 116.025 -14.718 5.897 1.00 0.00 H new ATOM 0 HB3 LEU A 22 115.358 -16.249 6.429 1.00 0.00 H new ATOM 0 HG LEU A 22 113.577 -13.854 5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 22 113.177 -14.684 3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 22 114.865 -14.169 3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 22 114.456 -15.901 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 22 111.885 -15.601 5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 22 113.116 -16.853 5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 22 112.631 -15.754 7.190 1.00 0.00 H new ATOM 372 N SER A 23 117.644 -14.326 8.104 1.00 0.00 N ATOM 373 CA SER A 23 118.990 -14.577 8.612 1.00 0.00 C ATOM 374 C SER A 23 119.226 -13.860 9.938 1.00 0.00 C ATOM 375 O SER A 23 119.706 -14.459 10.901 1.00 0.00 O ATOM 376 CB SER A 23 120.034 -14.130 7.588 1.00 0.00 C ATOM 377 OG SER A 23 121.157 -14.996 7.591 1.00 0.00 O ATOM 0 H SER A 23 117.584 -13.567 7.425 1.00 0.00 H new ATOM 0 HA SER A 23 119.087 -15.649 8.782 1.00 0.00 H new ATOM 0 HB2 SER A 23 119.588 -14.112 6.594 1.00 0.00 H new ATOM 0 HB3 SER A 23 120.355 -13.113 7.812 1.00 0.00 H new ATOM 0 HG SER A 23 121.809 -14.689 6.926 1.00 0.00 H new ATOM 383 N GLN A 24 118.885 -12.577 9.982 1.00 0.00 N ATOM 384 CA GLN A 24 119.061 -11.782 11.192 1.00 0.00 C ATOM 385 C GLN A 24 120.520 -11.373 11.376 1.00 0.00 C ATOM 386 O GLN A 24 120.921 -10.946 12.459 1.00 0.00 O ATOM 387 CB GLN A 24 118.582 -12.566 12.415 1.00 0.00 C ATOM 388 CG GLN A 24 117.307 -13.358 12.170 1.00 0.00 C ATOM 389 CD GLN A 24 116.660 -13.832 13.456 1.00 0.00 C ATOM 390 OE1 GLN A 24 116.624 -15.030 13.742 1.00 0.00 O ATOM 391 NE2 GLN A 24 116.144 -12.894 14.241 1.00 0.00 N ATOM 0 H GLN A 24 118.486 -12.066 9.195 1.00 0.00 H new ATOM 0 HA GLN A 24 118.463 -10.877 11.088 1.00 0.00 H new ATOM 0 HB2 GLN A 24 119.370 -13.250 12.729 1.00 0.00 H new ATOM 0 HB3 GLN A 24 118.416 -11.872 13.239 1.00 0.00 H new ATOM 0 HG2 GLN A 24 116.599 -12.739 11.618 1.00 0.00 H new ATOM 0 HG3 GLN A 24 117.534 -14.220 11.542 1.00 0.00 H new ATOM 0 HE21 GLN A 24 116.196 -11.913 13.966 1.00 0.00 H new ATOM 0 HE22 GLN A 24 115.696 -13.154 15.120 1.00 0.00 H new ATOM 400 N ASN A 25 121.309 -11.505 10.314 1.00 0.00 N ATOM 401 CA ASN A 25 122.724 -11.144 10.364 1.00 0.00 C ATOM 402 C ASN A 25 122.893 -9.695 10.811 1.00 0.00 C ATOM 403 O ASN A 25 122.019 -9.138 11.474 1.00 0.00 O ATOM 404 CB ASN A 25 123.373 -11.346 8.994 1.00 0.00 C ATOM 405 CG ASN A 25 124.817 -11.795 9.099 1.00 0.00 C ATOM 406 OD1 ASN A 25 125.124 -12.795 9.749 1.00 0.00 O ATOM 407 ND2 ASN A 25 125.715 -11.055 8.457 1.00 0.00 N ATOM 0 H ASN A 25 120.995 -11.858 9.410 1.00 0.00 H new ATOM 0 HA ASN A 25 123.217 -11.793 11.088 1.00 0.00 H new ATOM 0 HB2 ASN A 25 122.805 -12.087 8.432 1.00 0.00 H new ATOM 0 HB3 ASN A 25 123.325 -10.414 8.431 1.00 0.00 H new ATOM 0 HD21 ASN A 25 126.703 -11.308 8.491 1.00 0.00 H new ATOM 0 HD22 ASN A 25 125.417 -10.234 7.930 1.00 0.00 H new ATOM 414 N ASP A 26 124.019 -9.087 10.446 1.00 0.00 N ATOM 415 CA ASP A 26 124.288 -7.701 10.813 1.00 0.00 C ATOM 416 C ASP A 26 123.050 -6.839 10.573 1.00 0.00 C ATOM 417 O ASP A 26 122.136 -6.817 11.397 1.00 0.00 O ATOM 418 CB ASP A 26 125.479 -7.159 10.021 1.00 0.00 C ATOM 419 CG ASP A 26 126.783 -7.830 10.406 1.00 0.00 C ATOM 420 OD1 ASP A 26 126.941 -9.033 10.111 1.00 0.00 O ATOM 421 OD2 ASP A 26 127.645 -7.152 11.003 1.00 0.00 O ATOM 0 H ASP A 26 124.757 -9.531 9.899 1.00 0.00 H new ATOM 0 HA ASP A 26 124.536 -7.665 11.874 1.00 0.00 H new ATOM 0 HB2 ASP A 26 125.300 -7.304 8.956 1.00 0.00 H new ATOM 0 HB3 ASP A 26 125.563 -6.085 10.187 1.00 0.00 H new ATOM 426 N ILE A 27 123.014 -6.143 9.435 1.00 0.00 N ATOM 427 CA ILE A 27 121.871 -5.302 9.095 1.00 0.00 C ATOM 428 C ILE A 27 122.256 -4.183 8.133 1.00 0.00 C ATOM 429 O ILE A 27 121.822 -4.170 6.981 1.00 0.00 O ATOM 430 CB ILE A 27 121.220 -4.683 10.347 1.00 0.00 C ATOM 431 CG1 ILE A 27 120.336 -3.497 9.956 1.00 0.00 C ATOM 432 CG2 ILE A 27 122.285 -4.250 11.344 1.00 0.00 C ATOM 433 CD1 ILE A 27 119.414 -3.786 8.792 1.00 0.00 C ATOM 0 H ILE A 27 123.760 -6.146 8.739 1.00 0.00 H new ATOM 0 HA ILE A 27 121.150 -5.959 8.608 1.00 0.00 H new ATOM 0 HB ILE A 27 120.594 -5.439 10.821 1.00 0.00 H new ATOM 0 HG12 ILE A 27 119.738 -3.201 10.818 1.00 0.00 H new ATOM 0 HG13 ILE A 27 120.972 -2.649 9.703 1.00 0.00 H new ATOM 0 HG21 ILE A 27 121.807 -3.815 12.222 1.00 0.00 H new ATOM 0 HG22 ILE A 27 122.876 -5.115 11.644 1.00 0.00 H new ATOM 0 HG23 ILE A 27 122.937 -3.509 10.881 1.00 0.00 H new ATOM 0 HD11 ILE A 27 118.818 -2.900 8.571 1.00 0.00 H new ATOM 0 HD12 ILE A 27 120.006 -4.053 7.916 1.00 0.00 H new ATOM 0 HD13 ILE A 27 118.753 -4.614 9.048 1.00 0.00 H new ATOM 445 N ALA A 28 123.065 -3.243 8.599 1.00 0.00 N ATOM 446 CA ALA A 28 123.485 -2.138 7.755 1.00 0.00 C ATOM 447 C ALA A 28 124.263 -2.656 6.555 1.00 0.00 C ATOM 448 O ALA A 28 123.938 -2.351 5.407 1.00 0.00 O ATOM 449 CB ALA A 28 124.328 -1.152 8.550 1.00 0.00 C ATOM 0 H ALA A 28 123.440 -3.224 9.547 1.00 0.00 H new ATOM 0 HA ALA A 28 122.597 -1.619 7.395 1.00 0.00 H new ATOM 0 HB1 ALA A 28 124.634 -0.330 7.903 1.00 0.00 H new ATOM 0 HB2 ALA A 28 123.742 -0.760 9.381 1.00 0.00 H new ATOM 0 HB3 ALA A 28 125.212 -1.658 8.937 1.00 0.00 H new ATOM 455 N ASP A 29 125.289 -3.446 6.835 1.00 0.00 N ATOM 456 CA ASP A 29 126.124 -4.022 5.793 1.00 0.00 C ATOM 457 C ASP A 29 125.422 -5.162 5.053 1.00 0.00 C ATOM 458 O ASP A 29 125.599 -5.321 3.847 1.00 0.00 O ATOM 459 CB ASP A 29 127.436 -4.530 6.392 1.00 0.00 C ATOM 460 CG ASP A 29 128.389 -3.402 6.735 1.00 0.00 C ATOM 461 OD1 ASP A 29 128.102 -2.651 7.690 1.00 0.00 O ATOM 462 OD2 ASP A 29 129.424 -3.268 6.047 1.00 0.00 O ATOM 0 H ASP A 29 125.564 -3.704 7.783 1.00 0.00 H new ATOM 0 HA ASP A 29 126.327 -3.232 5.069 1.00 0.00 H new ATOM 0 HB2 ASP A 29 127.222 -5.108 7.291 1.00 0.00 H new ATOM 0 HB3 ASP A 29 127.917 -5.206 5.686 1.00 0.00 H new ATOM 467 N VAL A 30 124.660 -5.978 5.786 1.00 0.00 N ATOM 468 CA VAL A 30 123.983 -7.136 5.194 1.00 0.00 C ATOM 469 C VAL A 30 122.996 -6.775 4.093 1.00 0.00 C ATOM 470 O VAL A 30 123.049 -7.343 3.001 1.00 0.00 O ATOM 471 CB VAL A 30 123.215 -7.958 6.253 1.00 0.00 C ATOM 472 CG1 VAL A 30 122.003 -7.194 6.753 1.00 0.00 C ATOM 473 CG2 VAL A 30 122.792 -9.302 5.674 1.00 0.00 C ATOM 0 H VAL A 30 124.496 -5.860 6.786 1.00 0.00 H new ATOM 0 HA VAL A 30 124.793 -7.722 4.761 1.00 0.00 H new ATOM 0 HB VAL A 30 123.880 -8.134 7.098 1.00 0.00 H new ATOM 0 HG11 VAL A 30 121.478 -7.792 7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 30 122.325 -6.255 7.203 1.00 0.00 H new ATOM 0 HG13 VAL A 30 121.334 -6.985 5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 30 122.252 -9.871 6.431 1.00 0.00 H new ATOM 0 HG22 VAL A 30 122.145 -9.139 4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 30 123.676 -9.859 5.364 1.00 0.00 H new ATOM 483 N GLU A 31 122.080 -5.856 4.370 1.00 0.00 N ATOM 484 CA GLU A 31 121.086 -5.489 3.399 1.00 0.00 C ATOM 485 C GLU A 31 121.729 -5.058 2.088 1.00 0.00 C ATOM 486 O GLU A 31 121.407 -5.571 1.018 1.00 0.00 O ATOM 487 CB GLU A 31 120.218 -4.366 3.962 1.00 0.00 C ATOM 488 CG GLU A 31 119.521 -3.560 2.893 1.00 0.00 C ATOM 489 CD GLU A 31 118.015 -3.524 3.070 1.00 0.00 C ATOM 490 OE1 GLU A 31 117.443 -4.546 3.501 1.00 0.00 O ATOM 491 OE2 GLU A 31 117.409 -2.472 2.777 1.00 0.00 O ATOM 0 H GLU A 31 122.014 -5.359 5.258 1.00 0.00 H new ATOM 0 HA GLU A 31 120.464 -6.359 3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 31 119.471 -4.794 4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 31 120.839 -3.701 4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 31 119.908 -2.541 2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 31 119.757 -3.981 1.916 1.00 0.00 H new ATOM 498 N TYR A 32 122.629 -4.107 2.179 1.00 0.00 N ATOM 499 CA TYR A 32 123.312 -3.591 1.009 1.00 0.00 C ATOM 500 C TYR A 32 124.296 -4.597 0.415 1.00 0.00 C ATOM 501 O TYR A 32 124.634 -4.507 -0.754 1.00 0.00 O ATOM 502 CB TYR A 32 123.972 -2.261 1.338 1.00 0.00 C ATOM 503 CG TYR A 32 122.948 -1.164 1.519 1.00 0.00 C ATOM 504 CD1 TYR A 32 122.500 -0.420 0.436 1.00 0.00 C ATOM 505 CD2 TYR A 32 122.409 -0.890 2.769 1.00 0.00 C ATOM 506 CE1 TYR A 32 121.546 0.568 0.596 1.00 0.00 C ATOM 507 CE2 TYR A 32 121.461 0.098 2.934 1.00 0.00 C ATOM 508 CZ TYR A 32 121.032 0.823 1.846 1.00 0.00 C ATOM 509 OH TYR A 32 120.082 1.805 2.009 1.00 0.00 O ATOM 0 H TYR A 32 122.909 -3.670 3.057 1.00 0.00 H new ATOM 0 HA TYR A 32 122.568 -3.419 0.231 1.00 0.00 H new ATOM 0 HB2 TYR A 32 124.563 -2.362 2.248 1.00 0.00 H new ATOM 0 HB3 TYR A 32 124.661 -1.988 0.539 1.00 0.00 H new ATOM 0 HD1 TYR A 32 122.903 -0.616 -0.547 1.00 0.00 H new ATOM 0 HD2 TYR A 32 122.737 -1.460 3.626 1.00 0.00 H new ATOM 0 HE1 TYR A 32 121.206 1.137 -0.257 1.00 0.00 H new ATOM 0 HE2 TYR A 32 121.056 0.302 3.914 1.00 0.00 H new ATOM 0 HH TYR A 32 119.189 1.417 1.899 1.00 0.00 H new ATOM 519 N GLN A 33 124.763 -5.548 1.217 1.00 0.00 N ATOM 520 CA GLN A 33 125.714 -6.549 0.731 1.00 0.00 C ATOM 521 C GLN A 33 125.118 -7.384 -0.405 1.00 0.00 C ATOM 522 O GLN A 33 125.844 -7.923 -1.240 1.00 0.00 O ATOM 523 CB GLN A 33 126.148 -7.472 1.871 1.00 0.00 C ATOM 524 CG GLN A 33 125.594 -8.882 1.760 1.00 0.00 C ATOM 525 CD GLN A 33 126.447 -9.776 0.879 1.00 0.00 C ATOM 526 OE1 GLN A 33 125.964 -10.345 -0.100 1.00 0.00 O ATOM 527 NE2 GLN A 33 127.722 -9.906 1.226 1.00 0.00 N ATOM 0 H GLN A 33 124.503 -5.649 2.198 1.00 0.00 H new ATOM 0 HA GLN A 33 126.582 -6.014 0.346 1.00 0.00 H new ATOM 0 HB2 GLN A 33 127.237 -7.520 1.894 1.00 0.00 H new ATOM 0 HB3 GLN A 33 125.828 -7.039 2.819 1.00 0.00 H new ATOM 0 HG2 GLN A 33 125.523 -9.320 2.756 1.00 0.00 H new ATOM 0 HG3 GLN A 33 124.582 -8.840 1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 33 128.080 -9.416 2.046 1.00 0.00 H new ATOM 0 HE22 GLN A 33 128.343 -10.496 0.673 1.00 0.00 H new ATOM 536 N PHE A 34 123.798 -7.518 -0.399 1.00 0.00 N ATOM 537 CA PHE A 34 123.086 -8.324 -1.391 1.00 0.00 C ATOM 538 C PHE A 34 123.370 -7.910 -2.837 1.00 0.00 C ATOM 539 O PHE A 34 123.681 -8.758 -3.674 1.00 0.00 O ATOM 540 CB PHE A 34 121.584 -8.241 -1.121 1.00 0.00 C ATOM 541 CG PHE A 34 120.734 -8.721 -2.260 1.00 0.00 C ATOM 542 CD1 PHE A 34 120.668 -7.997 -3.435 1.00 0.00 C ATOM 543 CD2 PHE A 34 119.998 -9.890 -2.154 1.00 0.00 C ATOM 544 CE1 PHE A 34 119.887 -8.426 -4.491 1.00 0.00 C ATOM 545 CE2 PHE A 34 119.213 -10.328 -3.205 1.00 0.00 C ATOM 546 CZ PHE A 34 119.158 -9.594 -4.375 1.00 0.00 C ATOM 0 H PHE A 34 123.190 -7.074 0.289 1.00 0.00 H new ATOM 0 HA PHE A 34 123.449 -9.347 -1.286 1.00 0.00 H new ATOM 0 HB2 PHE A 34 121.351 -8.830 -0.234 1.00 0.00 H new ATOM 0 HB3 PHE A 34 121.322 -7.207 -0.895 1.00 0.00 H new ATOM 0 HD1 PHE A 34 121.235 -7.083 -3.529 1.00 0.00 H new ATOM 0 HD2 PHE A 34 120.038 -10.465 -1.241 1.00 0.00 H new ATOM 0 HE1 PHE A 34 119.846 -7.850 -5.404 1.00 0.00 H new ATOM 0 HE2 PHE A 34 118.644 -11.241 -3.112 1.00 0.00 H new ATOM 0 HZ PHE A 34 118.546 -9.933 -5.198 1.00 0.00 H new ATOM 556 N LEU A 35 123.228 -6.627 -3.149 1.00 0.00 N ATOM 557 CA LEU A 35 123.437 -6.160 -4.520 1.00 0.00 C ATOM 558 C LEU A 35 124.889 -6.332 -4.973 1.00 0.00 C ATOM 559 O LEU A 35 125.181 -6.283 -6.168 1.00 0.00 O ATOM 560 CB LEU A 35 122.952 -4.708 -4.712 1.00 0.00 C ATOM 561 CG LEU A 35 123.606 -3.640 -3.830 1.00 0.00 C ATOM 562 CD1 LEU A 35 122.648 -3.177 -2.741 1.00 0.00 C ATOM 563 CD2 LEU A 35 124.879 -4.172 -3.219 1.00 0.00 C ATOM 0 H LEU A 35 122.972 -5.898 -2.483 1.00 0.00 H new ATOM 0 HA LEU A 35 122.826 -6.794 -5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 35 123.111 -4.432 -5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 35 121.877 -4.683 -4.536 1.00 0.00 H new ATOM 0 HG LEU A 35 123.851 -2.782 -4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 35 123.134 -2.419 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 35 121.754 -2.755 -3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 35 122.370 -4.026 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 35 125.333 -3.402 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 35 124.652 -5.046 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 35 125.573 -4.452 -4.011 1.00 0.00 H new ATOM 575 N ALA A 36 125.797 -6.534 -4.019 1.00 0.00 N ATOM 576 CA ALA A 36 127.208 -6.711 -4.338 1.00 0.00 C ATOM 577 C ALA A 36 127.434 -7.980 -5.153 1.00 0.00 C ATOM 578 O ALA A 36 128.378 -8.066 -5.939 1.00 0.00 O ATOM 579 CB ALA A 36 128.036 -6.748 -3.062 1.00 0.00 C ATOM 0 H ALA A 36 125.579 -6.579 -3.023 1.00 0.00 H new ATOM 0 HA ALA A 36 127.527 -5.862 -4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 36 129.088 -6.881 -3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 36 127.909 -5.812 -2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 36 127.705 -7.578 -2.438 1.00 0.00 H new ATOM 707 N VAL A 45 128.168 1.159 -3.967 1.00 0.00 N ATOM 708 CA VAL A 45 127.006 1.238 -3.091 1.00 0.00 C ATOM 709 C VAL A 45 127.423 1.323 -1.629 1.00 0.00 C ATOM 710 O VAL A 45 126.592 1.194 -0.729 1.00 0.00 O ATOM 711 CB VAL A 45 126.086 0.020 -3.261 1.00 0.00 C ATOM 712 CG1 VAL A 45 124.723 0.446 -3.787 1.00 0.00 C ATOM 713 CG2 VAL A 45 126.725 -1.010 -4.181 1.00 0.00 C ATOM 0 HA VAL A 45 126.467 2.142 -3.375 1.00 0.00 H new ATOM 0 HB VAL A 45 125.942 -0.441 -2.284 1.00 0.00 H new ATOM 0 HG11 VAL A 45 124.086 -0.431 -3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 45 124.262 1.140 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 45 124.843 0.935 -4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 45 126.058 -1.865 -4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 45 126.903 -0.563 -5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 45 127.672 -1.340 -3.755 1.00 0.00 H new ATOM 723 N LEU A 46 128.711 1.537 -1.397 1.00 0.00 N ATOM 724 CA LEU A 46 129.227 1.631 -0.038 1.00 0.00 C ATOM 725 C LEU A 46 128.477 2.704 0.736 1.00 0.00 C ATOM 726 O LEU A 46 128.081 2.494 1.883 1.00 0.00 O ATOM 727 CB LEU A 46 130.724 1.948 -0.057 1.00 0.00 C ATOM 728 CG LEU A 46 131.633 0.812 0.416 1.00 0.00 C ATOM 729 CD1 LEU A 46 132.315 0.146 -0.769 1.00 0.00 C ATOM 730 CD2 LEU A 46 132.665 1.333 1.404 1.00 0.00 C ATOM 0 H LEU A 46 129.414 1.648 -2.127 1.00 0.00 H new ATOM 0 HA LEU A 46 129.079 0.671 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 46 131.009 2.222 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 46 130.903 2.821 0.570 1.00 0.00 H new ATOM 0 HG LEU A 46 131.019 0.066 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 46 132.958 -0.660 -0.413 1.00 0.00 H new ATOM 0 HD12 LEU A 46 131.560 -0.262 -1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 46 132.917 0.881 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 46 133.303 0.512 1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 46 133.275 2.098 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 46 132.157 1.763 2.267 1.00 0.00 H new ATOM 742 N TYR A 47 128.265 3.847 0.097 1.00 0.00 N ATOM 743 CA TYR A 47 127.540 4.941 0.725 1.00 0.00 C ATOM 744 C TYR A 47 126.109 4.514 1.028 1.00 0.00 C ATOM 745 O TYR A 47 125.547 4.871 2.063 1.00 0.00 O ATOM 746 CB TYR A 47 127.541 6.173 -0.181 1.00 0.00 C ATOM 747 CG TYR A 47 128.110 7.410 0.477 1.00 0.00 C ATOM 748 CD1 TYR A 47 129.430 7.446 0.906 1.00 0.00 C ATOM 749 CD2 TYR A 47 127.325 8.540 0.671 1.00 0.00 C ATOM 750 CE1 TYR A 47 129.955 8.574 1.509 1.00 0.00 C ATOM 751 CE2 TYR A 47 127.842 9.672 1.272 1.00 0.00 C ATOM 752 CZ TYR A 47 129.157 9.684 1.689 1.00 0.00 C ATOM 753 OH TYR A 47 129.674 10.809 2.289 1.00 0.00 O ATOM 0 H TYR A 47 128.584 4.039 -0.853 1.00 0.00 H new ATOM 0 HA TYR A 47 128.039 5.198 1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 47 128.117 5.952 -1.079 1.00 0.00 H new ATOM 0 HB3 TYR A 47 126.519 6.379 -0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 47 130.057 6.578 0.766 1.00 0.00 H new ATOM 0 HD2 TYR A 47 126.295 8.534 0.347 1.00 0.00 H new ATOM 0 HE1 TYR A 47 130.984 8.586 1.837 1.00 0.00 H new ATOM 0 HE2 TYR A 47 127.220 10.543 1.415 1.00 0.00 H new ATOM 0 HH TYR A 47 128.982 11.501 2.339 1.00 0.00 H new ATOM 763 N PHE A 48 125.528 3.732 0.118 1.00 0.00 N ATOM 764 CA PHE A 48 124.165 3.247 0.292 1.00 0.00 C ATOM 765 C PHE A 48 124.055 2.401 1.553 1.00 0.00 C ATOM 766 O PHE A 48 123.013 2.371 2.200 1.00 0.00 O ATOM 767 CB PHE A 48 123.703 2.443 -0.931 1.00 0.00 C ATOM 768 CG PHE A 48 122.603 3.120 -1.696 1.00 0.00 C ATOM 769 CD1 PHE A 48 122.646 4.488 -1.914 1.00 0.00 C ATOM 770 CD2 PHE A 48 121.525 2.397 -2.194 1.00 0.00 C ATOM 771 CE1 PHE A 48 121.638 5.127 -2.609 1.00 0.00 C ATOM 772 CE2 PHE A 48 120.517 3.035 -2.890 1.00 0.00 C ATOM 773 CZ PHE A 48 120.573 4.399 -3.098 1.00 0.00 C ATOM 0 H PHE A 48 125.980 3.424 -0.743 1.00 0.00 H new ATOM 0 HA PHE A 48 123.512 4.114 0.394 1.00 0.00 H new ATOM 0 HB2 PHE A 48 124.553 2.280 -1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 48 123.360 1.461 -0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 48 123.479 5.062 -1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 48 121.475 1.330 -2.036 1.00 0.00 H new ATOM 0 HE1 PHE A 48 121.683 6.194 -2.769 1.00 0.00 H new ATOM 0 HE2 PHE A 48 119.683 2.466 -3.273 1.00 0.00 H new ATOM 0 HZ PHE A 48 119.784 4.895 -3.643 1.00 0.00 H new ATOM 783 N ARG A 49 125.135 1.710 1.897 1.00 0.00 N ATOM 784 CA ARG A 49 125.146 0.856 3.077 1.00 0.00 C ATOM 785 C ARG A 49 124.740 1.635 4.329 1.00 0.00 C ATOM 786 O ARG A 49 124.012 1.124 5.181 1.00 0.00 O ATOM 787 CB ARG A 49 126.532 0.240 3.271 1.00 0.00 C ATOM 788 CG ARG A 49 126.501 -1.261 3.517 1.00 0.00 C ATOM 789 CD ARG A 49 126.853 -2.045 2.261 1.00 0.00 C ATOM 790 NE ARG A 49 128.260 -1.892 1.898 1.00 0.00 N ATOM 791 CZ ARG A 49 128.939 -2.790 1.193 1.00 0.00 C ATOM 792 NH1 ARG A 49 128.342 -3.897 0.774 1.00 0.00 N ATOM 793 NH2 ARG A 49 130.217 -2.581 0.905 1.00 0.00 N ATOM 0 H ARG A 49 126.012 1.724 1.377 1.00 0.00 H new ATOM 0 HA ARG A 49 124.418 0.060 2.921 1.00 0.00 H new ATOM 0 HB2 ARG A 49 127.138 0.443 2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 49 127.023 0.728 4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 49 127.202 -1.514 4.312 1.00 0.00 H new ATOM 0 HG3 ARG A 49 125.509 -1.553 3.862 1.00 0.00 H new ATOM 0 HD2 ARG A 49 126.632 -3.101 2.418 1.00 0.00 H new ATOM 0 HD3 ARG A 49 126.227 -1.708 1.435 1.00 0.00 H new ATOM 0 HE ARG A 49 128.748 -1.049 2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 49 127.359 -4.061 0.993 1.00 0.00 H new ATOM 0 HH12 ARG A 49 128.865 -4.585 0.233 1.00 0.00 H new ATOM 0 HH21 ARG A 49 130.679 -1.730 1.225 1.00 0.00 H new ATOM 0 HH22 ARG A 49 130.737 -3.271 0.364 1.00 0.00 H new ATOM 807 N GLU A 50 125.211 2.872 4.430 1.00 0.00 N ATOM 808 CA GLU A 50 124.901 3.722 5.579 1.00 0.00 C ATOM 809 C GLU A 50 123.396 3.947 5.735 1.00 0.00 C ATOM 810 O GLU A 50 122.905 4.153 6.845 1.00 0.00 O ATOM 811 CB GLU A 50 125.613 5.068 5.443 1.00 0.00 C ATOM 812 CG GLU A 50 127.052 5.048 5.934 1.00 0.00 C ATOM 813 CD GLU A 50 127.974 5.886 5.072 1.00 0.00 C ATOM 814 OE1 GLU A 50 128.536 5.340 4.098 1.00 0.00 O ATOM 815 OE2 GLU A 50 128.136 7.088 5.369 1.00 0.00 O ATOM 0 H GLU A 50 125.810 3.312 3.731 1.00 0.00 H new ATOM 0 HA GLU A 50 125.255 3.206 6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 50 125.599 5.373 4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 50 125.058 5.821 6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 50 127.087 5.415 6.960 1.00 0.00 H new ATOM 0 HG3 GLU A 50 127.412 4.019 5.951 1.00 0.00 H new ATOM 822 N LEU A 51 122.673 3.936 4.620 1.00 0.00 N ATOM 823 CA LEU A 51 121.230 4.171 4.637 1.00 0.00 C ATOM 824 C LEU A 51 120.481 3.168 5.518 1.00 0.00 C ATOM 825 O LEU A 51 119.509 3.530 6.180 1.00 0.00 O ATOM 826 CB LEU A 51 120.670 4.124 3.214 1.00 0.00 C ATOM 827 CG LEU A 51 120.639 5.469 2.486 1.00 0.00 C ATOM 828 CD1 LEU A 51 120.824 5.269 0.990 1.00 0.00 C ATOM 829 CD2 LEU A 51 119.336 6.199 2.772 1.00 0.00 C ATOM 0 H LEU A 51 123.061 3.767 3.692 1.00 0.00 H new ATOM 0 HA LEU A 51 121.076 5.161 5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 51 121.266 3.425 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 51 119.656 3.725 3.252 1.00 0.00 H new ATOM 0 HG LEU A 51 121.463 6.080 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 51 120.799 6.236 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 51 121.784 4.788 0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 51 120.022 4.640 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 51 119.331 7.154 2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 51 118.497 5.593 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 51 119.245 6.375 3.844 1.00 0.00 H new ATOM 841 N LEU A 52 120.921 1.912 5.525 1.00 0.00 N ATOM 842 CA LEU A 52 120.254 0.890 6.334 1.00 0.00 C ATOM 843 C LEU A 52 120.375 1.206 7.818 1.00 0.00 C ATOM 844 O LEU A 52 119.492 0.869 8.608 1.00 0.00 O ATOM 845 CB LEU A 52 120.837 -0.498 6.057 1.00 0.00 C ATOM 846 CG LEU A 52 120.021 -1.402 5.120 1.00 0.00 C ATOM 847 CD1 LEU A 52 119.349 -2.514 5.907 1.00 0.00 C ATOM 848 CD2 LEU A 52 118.977 -0.616 4.336 1.00 0.00 C ATOM 0 H LEU A 52 121.723 1.579 4.990 1.00 0.00 H new ATOM 0 HA LEU A 52 119.200 0.891 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 52 121.832 -0.373 5.631 1.00 0.00 H new ATOM 0 HB3 LEU A 52 120.960 -1.014 7.009 1.00 0.00 H new ATOM 0 HG LEU A 52 120.718 -1.837 4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 52 118.775 -3.145 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 52 120.108 -3.116 6.407 1.00 0.00 H new ATOM 0 HD13 LEU A 52 118.681 -2.081 6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 52 118.423 -1.294 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 52 118.288 -0.134 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 52 119.472 0.143 3.730 1.00 0.00 H new ATOM 860 N ALA A 53 121.473 1.848 8.196 1.00 0.00 N ATOM 861 CA ALA A 53 121.702 2.199 9.589 1.00 0.00 C ATOM 862 C ALA A 53 120.564 3.060 10.125 1.00 0.00 C ATOM 863 O ALA A 53 120.206 2.968 11.300 1.00 0.00 O ATOM 864 CB ALA A 53 123.031 2.922 9.741 1.00 0.00 C ATOM 0 H ALA A 53 122.216 2.135 7.559 1.00 0.00 H new ATOM 0 HA ALA A 53 121.736 1.279 10.172 1.00 0.00 H new ATOM 0 HB1 ALA A 53 123.188 3.178 10.789 1.00 0.00 H new ATOM 0 HB2 ALA A 53 123.839 2.274 9.401 1.00 0.00 H new ATOM 0 HB3 ALA A 53 123.020 3.833 9.143 1.00 0.00 H new ATOM 870 N GLY A 54 119.988 3.885 9.257 1.00 0.00 N ATOM 871 CA GLY A 54 118.892 4.738 9.674 1.00 0.00 C ATOM 872 C GLY A 54 117.727 3.934 10.208 1.00 0.00 C ATOM 873 O GLY A 54 117.123 4.295 11.218 1.00 0.00 O ATOM 0 H GLY A 54 120.259 3.978 8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 54 119.240 5.428 10.443 1.00 0.00 H new ATOM 0 HA3 GLY A 54 118.560 5.342 8.830 1.00 0.00 H new ATOM 877 N VAL A 55 117.431 2.826 9.543 1.00 0.00 N ATOM 878 CA VAL A 55 116.352 1.949 9.967 1.00 0.00 C ATOM 879 C VAL A 55 116.712 1.283 11.284 1.00 0.00 C ATOM 880 O VAL A 55 115.853 1.022 12.126 1.00 0.00 O ATOM 881 CB VAL A 55 116.054 0.865 8.914 1.00 0.00 C ATOM 882 CG1 VAL A 55 114.603 0.420 9.000 1.00 0.00 C ATOM 883 CG2 VAL A 55 116.382 1.373 7.518 1.00 0.00 C ATOM 0 H VAL A 55 117.925 2.514 8.707 1.00 0.00 H new ATOM 0 HA VAL A 55 115.459 2.562 10.090 1.00 0.00 H new ATOM 0 HB VAL A 55 116.686 0.001 9.120 1.00 0.00 H new ATOM 0 HG11 VAL A 55 114.412 -0.346 8.248 1.00 0.00 H new ATOM 0 HG12 VAL A 55 114.406 0.012 9.991 1.00 0.00 H new ATOM 0 HG13 VAL A 55 113.949 1.274 8.822 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.165 0.594 6.787 1.00 0.00 H new ATOM 0 HG22 VAL A 55 115.778 2.253 7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 55 117.438 1.636 7.465 1.00 0.00 H new ATOM 893 N ALA A 56 118.002 1.011 11.447 1.00 0.00 N ATOM 894 CA ALA A 56 118.512 0.375 12.649 1.00 0.00 C ATOM 895 C ALA A 56 118.450 1.322 13.841 1.00 0.00 C ATOM 896 O ALA A 56 118.465 0.890 14.993 1.00 0.00 O ATOM 897 CB ALA A 56 119.936 -0.094 12.409 1.00 0.00 C ATOM 0 H ALA A 56 118.717 1.225 10.752 1.00 0.00 H new ATOM 0 HA ALA A 56 117.886 -0.486 12.882 1.00 0.00 H new ATOM 0 HB1 ALA A 56 120.319 -0.571 13.311 1.00 0.00 H new ATOM 0 HB2 ALA A 56 119.950 -0.809 11.586 1.00 0.00 H new ATOM 0 HB3 ALA A 56 120.563 0.761 12.157 1.00 0.00 H new ATOM 903 N THR A 57 118.379 2.618 13.556 1.00 0.00 N ATOM 904 CA THR A 57 118.313 3.630 14.604 1.00 0.00 C ATOM 905 C THR A 57 117.127 4.561 14.384 1.00 0.00 C ATOM 906 O THR A 57 117.025 5.614 15.011 1.00 0.00 O ATOM 907 CB THR A 57 119.611 4.438 14.644 1.00 0.00 C ATOM 908 OG1 THR A 57 119.824 5.106 13.414 1.00 0.00 O ATOM 909 CG2 THR A 57 120.834 3.592 14.926 1.00 0.00 C ATOM 0 H THR A 57 118.366 2.992 12.607 1.00 0.00 H new ATOM 0 HA THR A 57 118.181 3.122 15.559 1.00 0.00 H new ATOM 0 HB THR A 57 119.484 5.148 15.461 1.00 0.00 H new ATOM 0 HG1 THR A 57 119.970 4.446 12.704 1.00 0.00 H new ATOM 0 HG21 THR A 57 121.720 4.227 14.941 1.00 0.00 H new ATOM 0 HG22 THR A 57 120.722 3.102 15.893 1.00 0.00 H new ATOM 0 HG23 THR A 57 120.942 2.837 14.147 1.00 0.00 H new ATOM 917 N ASN A 58 116.231 4.163 13.485 1.00 0.00 N ATOM 918 CA ASN A 58 115.051 4.960 13.180 1.00 0.00 C ATOM 919 C ASN A 58 113.939 4.086 12.608 1.00 0.00 C ATOM 920 O ASN A 58 113.076 4.566 11.875 1.00 0.00 O ATOM 921 CB ASN A 58 115.402 6.071 12.189 1.00 0.00 C ATOM 922 CG ASN A 58 114.919 7.432 12.650 1.00 0.00 C ATOM 923 OD1 ASN A 58 114.116 7.536 13.577 1.00 0.00 O ATOM 924 ND2 ASN A 58 115.407 8.483 12.003 1.00 0.00 N ATOM 0 H ASN A 58 116.301 3.294 12.956 1.00 0.00 H new ATOM 0 HA ASN A 58 114.696 5.409 14.108 1.00 0.00 H new ATOM 0 HB2 ASN A 58 116.483 6.101 12.049 1.00 0.00 H new ATOM 0 HB3 ASN A 58 114.961 5.841 11.219 1.00 0.00 H new ATOM 0 HD21 ASN A 58 115.118 9.425 12.269 1.00 0.00 H new ATOM 0 HD22 ASN A 58 116.071 8.349 11.240 1.00 0.00 H new ATOM 931 N THR A 59 113.965 2.802 12.949 1.00 0.00 N ATOM 932 CA THR A 59 112.954 1.869 12.467 1.00 0.00 C ATOM 933 C THR A 59 111.557 2.357 12.832 1.00 0.00 C ATOM 934 O THR A 59 110.663 2.405 11.987 1.00 0.00 O ATOM 935 CB THR A 59 113.188 0.471 13.047 1.00 0.00 C ATOM 936 OG1 THR A 59 114.234 0.490 14.002 1.00 0.00 O ATOM 937 CG2 THR A 59 113.542 -0.562 11.998 1.00 0.00 C ATOM 0 H THR A 59 114.672 2.385 13.555 1.00 0.00 H new ATOM 0 HA THR A 59 113.034 1.815 11.381 1.00 0.00 H new ATOM 0 HB THR A 59 112.241 0.189 13.506 1.00 0.00 H new ATOM 0 HG1 THR A 59 115.098 0.447 13.542 1.00 0.00 H new ATOM 0 HG21 THR A 59 113.694 -1.529 12.477 1.00 0.00 H new ATOM 0 HG22 THR A 59 112.730 -0.639 11.275 1.00 0.00 H new ATOM 0 HG23 THR A 59 114.457 -0.262 11.486 1.00 0.00 H new ATOM 945 N ALA A 60 111.380 2.731 14.096 1.00 0.00 N ATOM 946 CA ALA A 60 110.093 3.225 14.570 1.00 0.00 C ATOM 947 C ALA A 60 109.677 4.465 13.791 1.00 0.00 C ATOM 948 O ALA A 60 108.493 4.683 13.533 1.00 0.00 O ATOM 949 CB ALA A 60 110.157 3.529 16.059 1.00 0.00 C ATOM 0 H ALA A 60 112.110 2.701 14.808 1.00 0.00 H new ATOM 0 HA ALA A 60 109.345 2.449 14.407 1.00 0.00 H new ATOM 0 HB1 ALA A 60 109.188 3.897 16.397 1.00 0.00 H new ATOM 0 HB2 ALA A 60 110.411 2.621 16.605 1.00 0.00 H new ATOM 0 HB3 ALA A 60 110.918 4.288 16.243 1.00 0.00 H new ATOM 955 N TYR A 61 110.663 5.262 13.396 1.00 0.00 N ATOM 956 CA TYR A 61 110.406 6.470 12.624 1.00 0.00 C ATOM 957 C TYR A 61 109.780 6.082 11.300 1.00 0.00 C ATOM 958 O TYR A 61 108.823 6.704 10.838 1.00 0.00 O ATOM 959 CB TYR A 61 111.701 7.249 12.392 1.00 0.00 C ATOM 960 CG TYR A 61 111.654 8.155 11.182 1.00 0.00 C ATOM 961 CD1 TYR A 61 110.584 9.016 10.976 1.00 0.00 C ATOM 962 CD2 TYR A 61 112.680 8.147 10.246 1.00 0.00 C ATOM 963 CE1 TYR A 61 110.538 9.845 9.871 1.00 0.00 C ATOM 964 CE2 TYR A 61 112.642 8.974 9.139 1.00 0.00 C ATOM 965 CZ TYR A 61 111.569 9.820 8.956 1.00 0.00 C ATOM 966 OH TYR A 61 111.527 10.645 7.856 1.00 0.00 O ATOM 0 H TYR A 61 111.648 5.093 13.598 1.00 0.00 H new ATOM 0 HA TYR A 61 109.723 7.114 13.178 1.00 0.00 H new ATOM 0 HB2 TYR A 61 111.918 7.848 13.276 1.00 0.00 H new ATOM 0 HB3 TYR A 61 112.524 6.544 12.276 1.00 0.00 H new ATOM 0 HD1 TYR A 61 109.775 9.038 11.691 1.00 0.00 H new ATOM 0 HD2 TYR A 61 113.521 7.484 10.385 1.00 0.00 H new ATOM 0 HE1 TYR A 61 109.699 10.509 9.725 1.00 0.00 H new ATOM 0 HE2 TYR A 61 113.449 8.957 8.421 1.00 0.00 H new ATOM 0 HH TYR A 61 112.415 10.687 7.445 1.00 0.00 H new ATOM 976 N LEU A 62 110.311 5.018 10.714 1.00 0.00 N ATOM 977 CA LEU A 62 109.793 4.499 9.464 1.00 0.00 C ATOM 978 C LEU A 62 108.420 3.902 9.717 1.00 0.00 C ATOM 979 O LEU A 62 107.554 3.894 8.843 1.00 0.00 O ATOM 980 CB LEU A 62 110.735 3.442 8.884 1.00 0.00 C ATOM 981 CG LEU A 62 111.952 3.997 8.143 1.00 0.00 C ATOM 982 CD1 LEU A 62 112.755 2.869 7.514 1.00 0.00 C ATOM 983 CD2 LEU A 62 111.518 4.999 7.083 1.00 0.00 C ATOM 0 H LEU A 62 111.104 4.498 11.089 1.00 0.00 H new ATOM 0 HA LEU A 62 109.716 5.309 8.739 1.00 0.00 H new ATOM 0 HB2 LEU A 62 111.083 2.803 9.695 1.00 0.00 H new ATOM 0 HB3 LEU A 62 110.169 2.809 8.200 1.00 0.00 H new ATOM 0 HG LEU A 62 112.589 4.511 8.863 1.00 0.00 H new ATOM 0 HD11 LEU A 62 113.617 3.284 6.991 1.00 0.00 H new ATOM 0 HD12 LEU A 62 113.096 2.187 8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 62 112.128 2.327 6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 62 112.396 5.384 6.565 1.00 0.00 H new ATOM 0 HD22 LEU A 62 110.860 4.508 6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 62 110.986 5.823 7.558 1.00 0.00 H new ATOM 995 N ASP A 63 108.231 3.407 10.940 1.00 0.00 N ATOM 996 CA ASP A 63 106.962 2.811 11.333 1.00 0.00 C ATOM 997 C ASP A 63 105.831 3.820 11.179 1.00 0.00 C ATOM 998 O ASP A 63 104.674 3.449 10.994 1.00 0.00 O ATOM 999 CB ASP A 63 107.030 2.316 12.780 1.00 0.00 C ATOM 1000 CG ASP A 63 105.923 1.334 13.108 1.00 0.00 C ATOM 1001 OD1 ASP A 63 105.983 0.186 12.617 1.00 0.00 O ATOM 1002 OD2 ASP A 63 104.996 1.711 13.855 1.00 0.00 O ATOM 0 H ASP A 63 108.941 3.409 11.672 1.00 0.00 H new ATOM 0 HA ASP A 63 106.765 1.961 10.680 1.00 0.00 H new ATOM 0 HB2 ASP A 63 107.996 1.842 12.954 1.00 0.00 H new ATOM 0 HB3 ASP A 63 106.967 3.169 13.456 1.00 0.00 H new ATOM 1007 N GLY A 64 106.177 5.102 11.252 1.00 0.00 N ATOM 1008 CA GLY A 64 105.180 6.146 11.112 1.00 0.00 C ATOM 1009 C GLY A 64 104.524 6.128 9.745 1.00 0.00 C ATOM 1010 O GLY A 64 103.312 6.310 9.628 1.00 0.00 O ATOM 0 H GLY A 64 107.129 5.435 11.405 1.00 0.00 H new ATOM 0 HA2 GLY A 64 104.417 6.024 11.881 1.00 0.00 H new ATOM 0 HA3 GLY A 64 105.647 7.117 11.277 1.00 0.00 H new ATOM 1014 N LEU A 65 105.327 5.900 8.711 1.00 0.00 N ATOM 1015 CA LEU A 65 104.818 5.849 7.345 1.00 0.00 C ATOM 1016 C LEU A 65 103.987 4.587 7.129 1.00 0.00 C ATOM 1017 O LEU A 65 102.925 4.626 6.507 1.00 0.00 O ATOM 1018 CB LEU A 65 105.977 5.870 6.343 1.00 0.00 C ATOM 1019 CG LEU A 65 106.794 7.162 6.296 1.00 0.00 C ATOM 1020 CD1 LEU A 65 106.658 7.832 4.934 1.00 0.00 C ATOM 1021 CD2 LEU A 65 106.372 8.115 7.401 1.00 0.00 C ATOM 0 H LEU A 65 106.332 5.748 8.793 1.00 0.00 H new ATOM 0 HA LEU A 65 104.187 6.724 7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 65 106.650 5.045 6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 65 105.575 5.680 5.348 1.00 0.00 H new ATOM 0 HG LEU A 65 107.841 6.904 6.453 1.00 0.00 H new ATOM 0 HD11 LEU A 65 107.246 8.750 4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 65 107.020 7.157 4.159 1.00 0.00 H new ATOM 0 HD13 LEU A 65 105.611 8.070 4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 65 106.969 9.025 7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 65 105.318 8.365 7.283 1.00 0.00 H new ATOM 0 HD23 LEU A 65 106.526 7.640 8.370 1.00 0.00 H new ATOM 1033 N MET A 66 104.484 3.468 7.645 1.00 0.00 N ATOM 1034 CA MET A 66 103.799 2.188 7.508 1.00 0.00 C ATOM 1035 C MET A 66 102.647 2.068 8.501 1.00 0.00 C ATOM 1036 O MET A 66 101.635 1.426 8.220 1.00 0.00 O ATOM 1037 CB MET A 66 104.792 1.042 7.709 1.00 0.00 C ATOM 1038 CG MET A 66 104.194 -0.173 8.398 1.00 0.00 C ATOM 1039 SD MET A 66 102.845 -0.912 7.459 1.00 0.00 S ATOM 1040 CE MET A 66 103.745 -2.101 6.467 1.00 0.00 C ATOM 0 H MET A 66 105.361 3.422 8.163 1.00 0.00 H new ATOM 0 HA MET A 66 103.382 2.131 6.503 1.00 0.00 H new ATOM 0 HB2 MET A 66 105.186 0.741 6.738 1.00 0.00 H new ATOM 0 HB3 MET A 66 105.635 1.403 8.297 1.00 0.00 H new ATOM 0 HG2 MET A 66 104.974 -0.918 8.553 1.00 0.00 H new ATOM 0 HG3 MET A 66 103.829 0.116 9.384 1.00 0.00 H new ATOM 0 HE1 MET A 66 103.210 -2.276 5.534 1.00 0.00 H new ATOM 0 HE2 MET A 66 104.740 -1.713 6.247 1.00 0.00 H new ATOM 0 HE3 MET A 66 103.834 -3.039 7.015 1.00 0.00 H new ATOM 1050 N LYS A 67 102.808 2.688 9.663 1.00 0.00 N ATOM 1051 CA LYS A 67 101.784 2.652 10.702 1.00 0.00 C ATOM 1052 C LYS A 67 100.384 2.732 10.099 1.00 0.00 C ATOM 1053 O LYS A 67 99.566 1.831 10.283 1.00 0.00 O ATOM 1054 CB LYS A 67 101.991 3.801 11.690 1.00 0.00 C ATOM 1055 CG LYS A 67 100.802 4.036 12.607 1.00 0.00 C ATOM 1056 CD LYS A 67 101.237 4.608 13.947 1.00 0.00 C ATOM 1057 CE LYS A 67 100.985 6.105 14.021 1.00 0.00 C ATOM 1058 NZ LYS A 67 100.793 6.567 15.424 1.00 0.00 N ATOM 0 H LYS A 67 103.640 3.224 9.911 1.00 0.00 H new ATOM 0 HA LYS A 67 101.876 1.703 11.230 1.00 0.00 H new ATOM 0 HB2 LYS A 67 102.872 3.593 12.297 1.00 0.00 H new ATOM 0 HB3 LYS A 67 102.196 4.715 11.133 1.00 0.00 H new ATOM 0 HG2 LYS A 67 100.101 4.720 12.128 1.00 0.00 H new ATOM 0 HG3 LYS A 67 100.272 3.097 12.766 1.00 0.00 H new ATOM 0 HD2 LYS A 67 100.697 4.107 14.750 1.00 0.00 H new ATOM 0 HD3 LYS A 67 102.297 4.408 14.102 1.00 0.00 H new ATOM 0 HE2 LYS A 67 101.825 6.637 13.575 1.00 0.00 H new ATOM 0 HE3 LYS A 67 100.102 6.354 13.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 100.624 7.593 15.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 99.975 6.078 15.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 101.645 6.353 15.980 1.00 0.00 H new ATOM 1072 N PRO A 68 100.092 3.820 9.372 1.00 0.00 N ATOM 1073 CA PRO A 68 98.798 4.033 8.743 1.00 0.00 C ATOM 1074 C PRO A 68 98.132 2.727 8.314 1.00 0.00 C ATOM 1075 O PRO A 68 96.906 2.612 8.331 1.00 0.00 O ATOM 1076 CB PRO A 68 99.151 4.887 7.528 1.00 0.00 C ATOM 1077 CG PRO A 68 100.413 5.612 7.888 1.00 0.00 C ATOM 1078 CD PRO A 68 101.003 4.939 9.107 1.00 0.00 C ATOM 0 HA PRO A 68 98.079 4.497 9.419 1.00 0.00 H new ATOM 0 HB2 PRO A 68 99.296 4.267 6.643 1.00 0.00 H new ATOM 0 HB3 PRO A 68 98.349 5.589 7.298 1.00 0.00 H new ATOM 0 HG2 PRO A 68 101.119 5.585 7.058 1.00 0.00 H new ATOM 0 HG3 PRO A 68 100.204 6.662 8.095 1.00 0.00 H new ATOM 0 HD2 PRO A 68 102.018 4.591 8.918 1.00 0.00 H new ATOM 0 HD3 PRO A 68 101.053 5.622 9.955 1.00 0.00 H new ATOM 1086 N TYR A 69 98.943 1.745 7.933 1.00 0.00 N ATOM 1087 CA TYR A 69 98.423 0.450 7.506 1.00 0.00 C ATOM 1088 C TYR A 69 99.173 -0.692 8.183 1.00 0.00 C ATOM 1089 O TYR A 69 100.127 -1.237 7.629 1.00 0.00 O ATOM 1090 CB TYR A 69 98.523 0.309 5.987 1.00 0.00 C ATOM 1091 CG TYR A 69 99.904 0.586 5.452 1.00 0.00 C ATOM 1092 CD1 TYR A 69 100.412 1.875 5.436 1.00 0.00 C ATOM 1093 CD2 TYR A 69 100.702 -0.441 4.967 1.00 0.00 C ATOM 1094 CE1 TYR A 69 101.675 2.138 4.952 1.00 0.00 C ATOM 1095 CE2 TYR A 69 101.969 -0.188 4.482 1.00 0.00 C ATOM 1096 CZ TYR A 69 102.452 1.103 4.476 1.00 0.00 C ATOM 1097 OH TYR A 69 103.714 1.360 3.992 1.00 0.00 O ATOM 0 H TYR A 69 99.960 1.820 7.911 1.00 0.00 H new ATOM 0 HA TYR A 69 97.375 0.397 7.801 1.00 0.00 H new ATOM 0 HB2 TYR A 69 98.227 -0.701 5.703 1.00 0.00 H new ATOM 0 HB3 TYR A 69 97.815 0.993 5.518 1.00 0.00 H new ATOM 0 HD1 TYR A 69 99.807 2.688 5.810 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.326 -1.453 4.969 1.00 0.00 H new ATOM 0 HE1 TYR A 69 102.054 3.149 4.945 1.00 0.00 H new ATOM 0 HE2 TYR A 69 102.579 -0.997 4.109 1.00 0.00 H new ATOM 0 HH TYR A 69 104.355 0.747 4.409 1.00 0.00 H new ATOM 1107 N LEU A 70 98.733 -1.051 9.385 1.00 0.00 N ATOM 1108 CA LEU A 70 99.362 -2.130 10.137 1.00 0.00 C ATOM 1109 C LEU A 70 98.487 -3.380 10.128 1.00 0.00 C ATOM 1110 O LEU A 70 98.984 -4.499 10.255 1.00 0.00 O ATOM 1111 CB LEU A 70 99.627 -1.690 11.578 1.00 0.00 C ATOM 1112 CG LEU A 70 100.719 -0.630 11.740 1.00 0.00 C ATOM 1113 CD1 LEU A 70 101.550 -0.907 12.983 1.00 0.00 C ATOM 1114 CD2 LEU A 70 101.603 -0.582 10.503 1.00 0.00 C ATOM 0 H LEU A 70 97.944 -0.611 9.858 1.00 0.00 H new ATOM 0 HA LEU A 70 100.311 -2.368 9.657 1.00 0.00 H new ATOM 0 HB2 LEU A 70 98.700 -1.302 12.000 1.00 0.00 H new ATOM 0 HB3 LEU A 70 99.902 -2.566 12.165 1.00 0.00 H new ATOM 0 HG LEU A 70 100.241 0.343 11.857 1.00 0.00 H new ATOM 0 HD11 LEU A 70 102.322 -0.144 13.082 1.00 0.00 H new ATOM 0 HD12 LEU A 70 100.906 -0.889 13.862 1.00 0.00 H new ATOM 0 HD13 LEU A 70 102.019 -1.887 12.896 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.374 0.177 10.636 1.00 0.00 H new ATOM 0 HD22 LEU A 70 102.073 -1.554 10.354 1.00 0.00 H new ATOM 0 HD23 LEU A 70 100.996 -0.335 9.632 1.00 0.00 H new ATOM 1126 N SER A 71 97.182 -3.181 9.975 1.00 0.00 N ATOM 1127 CA SER A 71 96.237 -4.291 9.949 1.00 0.00 C ATOM 1128 C SER A 71 96.184 -4.995 11.301 1.00 0.00 C ATOM 1129 O SER A 71 95.172 -4.947 11.998 1.00 0.00 O ATOM 1130 CB SER A 71 96.621 -5.289 8.855 1.00 0.00 C ATOM 1131 OG SER A 71 95.614 -5.369 7.860 1.00 0.00 O ATOM 0 H SER A 71 96.755 -2.261 9.867 1.00 0.00 H new ATOM 0 HA SER A 71 95.248 -3.887 9.733 1.00 0.00 H new ATOM 0 HB2 SER A 71 97.564 -4.988 8.399 1.00 0.00 H new ATOM 0 HB3 SER A 71 96.780 -6.273 9.296 1.00 0.00 H new ATOM 0 HG SER A 71 95.885 -6.012 7.172 1.00 0.00 H new ATOM 1137 N ARG A 72 97.283 -5.650 11.664 1.00 0.00 N ATOM 1138 CA ARG A 72 97.361 -6.365 12.932 1.00 0.00 C ATOM 1139 C ARG A 72 98.806 -6.456 13.417 1.00 0.00 C ATOM 1140 O ARG A 72 99.129 -6.020 14.522 1.00 0.00 O ATOM 1141 CB ARG A 72 96.771 -7.768 12.788 1.00 0.00 C ATOM 1142 CG ARG A 72 97.340 -8.549 11.615 1.00 0.00 C ATOM 1143 CD ARG A 72 96.459 -9.736 11.257 1.00 0.00 C ATOM 1144 NE ARG A 72 95.138 -9.318 10.798 1.00 0.00 N ATOM 1145 CZ ARG A 72 94.297 -10.118 10.152 1.00 0.00 C ATOM 1146 NH1 ARG A 72 94.639 -11.371 9.891 1.00 0.00 N ATOM 1147 NH2 ARG A 72 93.112 -9.664 9.766 1.00 0.00 N ATOM 0 H ARG A 72 98.130 -5.700 11.098 1.00 0.00 H new ATOM 0 HA ARG A 72 96.782 -5.809 13.670 1.00 0.00 H new ATOM 0 HB2 ARG A 72 96.952 -8.325 13.707 1.00 0.00 H new ATOM 0 HB3 ARG A 72 95.690 -7.689 12.671 1.00 0.00 H new ATOM 0 HG2 ARG A 72 97.436 -7.892 10.751 1.00 0.00 H new ATOM 0 HG3 ARG A 72 98.342 -8.899 11.862 1.00 0.00 H new ATOM 0 HD2 ARG A 72 96.944 -10.325 10.479 1.00 0.00 H new ATOM 0 HD3 ARG A 72 96.352 -10.384 12.127 1.00 0.00 H new ATOM 0 HE ARG A 72 94.844 -8.359 10.983 1.00 0.00 H new ATOM 0 HH11 ARG A 72 95.550 -11.723 10.186 1.00 0.00 H new ATOM 0 HH12 ARG A 72 93.992 -11.984 9.395 1.00 0.00 H new ATOM 0 HH21 ARG A 72 92.846 -8.700 9.965 1.00 0.00 H new ATOM 0 HH22 ARG A 72 92.467 -10.279 9.270 1.00 0.00 H new ATOM 1161 N LEU A 73 99.669 -7.023 12.581 1.00 0.00 N ATOM 1162 CA LEU A 73 101.079 -7.170 12.923 1.00 0.00 C ATOM 1163 C LEU A 73 101.957 -7.012 11.686 1.00 0.00 C ATOM 1164 O LEU A 73 101.563 -7.386 10.581 1.00 0.00 O ATOM 1165 CB LEU A 73 101.329 -8.534 13.569 1.00 0.00 C ATOM 1166 CG LEU A 73 100.554 -8.791 14.863 1.00 0.00 C ATOM 1167 CD1 LEU A 73 99.589 -9.952 14.685 1.00 0.00 C ATOM 1168 CD2 LEU A 73 101.513 -9.064 16.012 1.00 0.00 C ATOM 0 H LEU A 73 99.417 -7.388 11.662 1.00 0.00 H new ATOM 0 HA LEU A 73 101.339 -6.386 13.634 1.00 0.00 H new ATOM 0 HB2 LEU A 73 101.073 -9.312 12.850 1.00 0.00 H new ATOM 0 HB3 LEU A 73 102.395 -8.631 13.777 1.00 0.00 H new ATOM 0 HG LEU A 73 99.976 -7.898 15.102 1.00 0.00 H new ATOM 0 HD11 LEU A 73 99.047 -10.120 15.615 1.00 0.00 H new ATOM 0 HD12 LEU A 73 98.881 -9.718 13.890 1.00 0.00 H new ATOM 0 HD13 LEU A 73 100.146 -10.851 14.422 1.00 0.00 H new ATOM 0 HD21 LEU A 73 100.945 -9.245 16.925 1.00 0.00 H new ATOM 0 HD22 LEU A 73 102.117 -9.941 15.781 1.00 0.00 H new ATOM 0 HD23 LEU A 73 102.165 -8.202 16.155 1.00 0.00 H new ATOM 1180 N LEU A 74 103.149 -6.456 11.879 1.00 0.00 N ATOM 1181 CA LEU A 74 104.083 -6.247 10.780 1.00 0.00 C ATOM 1182 C LEU A 74 104.641 -7.576 10.280 1.00 0.00 C ATOM 1183 O LEU A 74 104.808 -7.777 9.077 1.00 0.00 O ATOM 1184 CB LEU A 74 105.228 -5.335 11.223 1.00 0.00 C ATOM 1185 CG LEU A 74 104.805 -4.126 12.060 1.00 0.00 C ATOM 1186 CD1 LEU A 74 105.270 -4.285 13.499 1.00 0.00 C ATOM 1187 CD2 LEU A 74 105.356 -2.843 11.457 1.00 0.00 C ATOM 0 H LEU A 74 103.490 -6.142 12.787 1.00 0.00 H new ATOM 0 HA LEU A 74 103.542 -5.770 9.963 1.00 0.00 H new ATOM 0 HB2 LEU A 74 105.941 -5.925 11.799 1.00 0.00 H new ATOM 0 HB3 LEU A 74 105.752 -4.979 10.336 1.00 0.00 H new ATOM 0 HG LEU A 74 103.717 -4.067 12.057 1.00 0.00 H new ATOM 0 HD11 LEU A 74 104.960 -3.416 14.080 1.00 0.00 H new ATOM 0 HD12 LEU A 74 104.827 -5.184 13.927 1.00 0.00 H new ATOM 0 HD13 LEU A 74 106.356 -4.369 13.523 1.00 0.00 H new ATOM 0 HD21 LEU A 74 105.046 -1.993 12.065 1.00 0.00 H new ATOM 0 HD22 LEU A 74 106.445 -2.892 11.430 1.00 0.00 H new ATOM 0 HD23 LEU A 74 104.973 -2.724 10.443 1.00 0.00 H new ATOM 1199 N GLU A 75 104.927 -8.480 11.212 1.00 0.00 N ATOM 1200 CA GLU A 75 105.467 -9.790 10.865 1.00 0.00 C ATOM 1201 C GLU A 75 104.497 -10.561 9.976 1.00 0.00 C ATOM 1202 O GLU A 75 104.880 -11.522 9.309 1.00 0.00 O ATOM 1203 CB GLU A 75 105.765 -10.593 12.132 1.00 0.00 C ATOM 1204 CG GLU A 75 107.205 -10.471 12.606 1.00 0.00 C ATOM 1205 CD GLU A 75 107.376 -10.858 14.061 1.00 0.00 C ATOM 1206 OE1 GLU A 75 106.505 -10.491 14.879 1.00 0.00 O ATOM 1207 OE2 GLU A 75 108.380 -11.527 14.383 1.00 0.00 O ATOM 0 H GLU A 75 104.794 -8.330 12.212 1.00 0.00 H new ATOM 0 HA GLU A 75 106.394 -9.638 10.313 1.00 0.00 H new ATOM 0 HB2 GLU A 75 105.100 -10.259 12.928 1.00 0.00 H new ATOM 0 HB3 GLU A 75 105.540 -11.643 11.948 1.00 0.00 H new ATOM 0 HG2 GLU A 75 107.841 -11.105 11.988 1.00 0.00 H new ATOM 0 HG3 GLU A 75 107.544 -9.445 12.465 1.00 0.00 H new ATOM 1214 N GLU A 76 103.239 -10.133 9.972 1.00 0.00 N ATOM 1215 CA GLU A 76 102.214 -10.784 9.164 1.00 0.00 C ATOM 1216 C GLU A 76 102.250 -10.278 7.727 1.00 0.00 C ATOM 1217 O GLU A 76 102.533 -11.035 6.798 1.00 0.00 O ATOM 1218 CB GLU A 76 100.829 -10.543 9.768 1.00 0.00 C ATOM 1219 CG GLU A 76 100.453 -11.543 10.849 1.00 0.00 C ATOM 1220 CD GLU A 76 99.058 -12.107 10.661 1.00 0.00 C ATOM 1221 OE1 GLU A 76 98.470 -11.889 9.582 1.00 0.00 O ATOM 1222 OE2 GLU A 76 98.555 -12.767 11.594 1.00 0.00 O ATOM 0 H GLU A 76 102.905 -9.339 10.518 1.00 0.00 H new ATOM 0 HA GLU A 76 102.419 -11.855 9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 76 100.795 -9.538 10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 76 100.084 -10.582 8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 76 101.174 -12.360 10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 76 100.517 -11.060 11.824 1.00 0.00 H new ATOM 1229 N LEU A 77 101.962 -8.993 7.549 1.00 0.00 N ATOM 1230 CA LEU A 77 101.961 -8.384 6.224 1.00 0.00 C ATOM 1231 C LEU A 77 103.070 -8.970 5.356 1.00 0.00 C ATOM 1232 O LEU A 77 104.077 -9.462 5.865 1.00 0.00 O ATOM 1233 CB LEU A 77 102.134 -6.869 6.335 1.00 0.00 C ATOM 1234 CG LEU A 77 101.265 -6.046 5.384 1.00 0.00 C ATOM 1235 CD1 LEU A 77 100.063 -5.474 6.118 1.00 0.00 C ATOM 1236 CD2 LEU A 77 102.082 -4.933 4.745 1.00 0.00 C ATOM 0 H LEU A 77 101.726 -8.352 8.307 1.00 0.00 H new ATOM 0 HA LEU A 77 101.002 -8.600 5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 77 101.911 -6.567 7.359 1.00 0.00 H new ATOM 0 HB3 LEU A 77 103.180 -6.624 6.151 1.00 0.00 H new ATOM 0 HG LEU A 77 100.902 -6.703 4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 77 99.457 -4.891 5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 77 99.465 -6.288 6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 77 100.404 -4.831 6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 77 101.448 -4.357 4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 77 102.475 -4.278 5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 77 102.910 -5.366 4.183 1.00 0.00 H new ATOM 1248 N GLY A 78 102.877 -8.916 4.042 1.00 0.00 N ATOM 1249 CA GLY A 78 103.868 -9.444 3.123 1.00 0.00 C ATOM 1250 C GLY A 78 105.286 -9.216 3.607 1.00 0.00 C ATOM 1251 O GLY A 78 105.719 -8.075 3.767 1.00 0.00 O ATOM 0 H GLY A 78 102.051 -8.516 3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 78 103.701 -10.513 2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 78 103.741 -8.975 2.147 1.00 0.00 H new ATOM 1255 N GLN A 79 106.012 -10.305 3.842 1.00 0.00 N ATOM 1256 CA GLN A 79 107.388 -10.218 4.313 1.00 0.00 C ATOM 1257 C GLN A 79 108.201 -9.255 3.454 1.00 0.00 C ATOM 1258 O GLN A 79 108.571 -8.169 3.904 1.00 0.00 O ATOM 1259 CB GLN A 79 108.041 -11.602 4.302 1.00 0.00 C ATOM 1260 CG GLN A 79 107.745 -12.423 5.547 1.00 0.00 C ATOM 1261 CD GLN A 79 108.078 -11.682 6.827 1.00 0.00 C ATOM 1262 OE1 GLN A 79 107.237 -11.547 7.715 1.00 0.00 O ATOM 1263 NE2 GLN A 79 109.310 -11.197 6.927 1.00 0.00 N ATOM 0 H GLN A 79 105.669 -11.257 3.714 1.00 0.00 H new ATOM 0 HA GLN A 79 107.370 -9.838 5.334 1.00 0.00 H new ATOM 0 HB2 GLN A 79 107.697 -12.150 3.425 1.00 0.00 H new ATOM 0 HB3 GLN A 79 109.120 -11.485 4.202 1.00 0.00 H new ATOM 0 HG2 GLN A 79 106.690 -12.697 5.554 1.00 0.00 H new ATOM 0 HG3 GLN A 79 108.316 -13.351 5.510 1.00 0.00 H new ATOM 0 HE21 GLN A 79 109.975 -11.333 6.165 1.00 0.00 H new ATOM 0 HE22 GLN A 79 109.592 -10.689 7.765 1.00 0.00 H new ATOM 1272 N VAL A 80 108.482 -9.660 2.220 1.00 0.00 N ATOM 1273 CA VAL A 80 109.258 -8.828 1.305 1.00 0.00 C ATOM 1274 C VAL A 80 108.562 -7.502 1.032 1.00 0.00 C ATOM 1275 O VAL A 80 109.163 -6.436 1.163 1.00 0.00 O ATOM 1276 CB VAL A 80 109.500 -9.533 -0.046 1.00 0.00 C ATOM 1277 CG1 VAL A 80 110.819 -10.287 -0.033 1.00 0.00 C ATOM 1278 CG2 VAL A 80 108.343 -10.463 -0.387 1.00 0.00 C ATOM 0 H VAL A 80 108.186 -10.555 1.831 1.00 0.00 H new ATOM 0 HA VAL A 80 110.214 -8.649 1.797 1.00 0.00 H new ATOM 0 HB VAL A 80 109.557 -8.769 -0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 80 110.968 -10.776 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 80 111.636 -9.588 0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 80 110.801 -11.038 0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 80 108.536 -10.949 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 80 108.243 -11.220 0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 80 107.420 -9.887 -0.453 1.00 0.00 H new ATOM 1288 N GLU A 81 107.292 -7.574 0.650 1.00 0.00 N ATOM 1289 CA GLU A 81 106.524 -6.374 0.346 1.00 0.00 C ATOM 1290 C GLU A 81 106.544 -5.405 1.519 1.00 0.00 C ATOM 1291 O GLU A 81 106.845 -4.224 1.350 1.00 0.00 O ATOM 1292 CB GLU A 81 105.082 -6.742 -0.003 1.00 0.00 C ATOM 1293 CG GLU A 81 104.950 -7.532 -1.294 1.00 0.00 C ATOM 1294 CD GLU A 81 104.879 -9.028 -1.058 1.00 0.00 C ATOM 1295 OE1 GLU A 81 105.359 -9.485 0.002 1.00 0.00 O ATOM 1296 OE2 GLU A 81 104.345 -9.742 -1.931 1.00 0.00 O ATOM 0 H GLU A 81 106.775 -8.447 0.544 1.00 0.00 H new ATOM 0 HA GLU A 81 106.985 -5.885 -0.513 1.00 0.00 H new ATOM 0 HB2 GLU A 81 104.657 -7.324 0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 81 104.492 -5.829 -0.084 1.00 0.00 H new ATOM 0 HG2 GLU A 81 104.054 -7.209 -1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 81 105.799 -7.310 -1.940 1.00 0.00 H new ATOM 1303 N LYS A 82 106.244 -5.909 2.708 1.00 0.00 N ATOM 1304 CA LYS A 82 106.238 -5.070 3.897 1.00 0.00 C ATOM 1305 C LYS A 82 107.592 -4.402 4.065 1.00 0.00 C ATOM 1306 O LYS A 82 107.677 -3.231 4.436 1.00 0.00 O ATOM 1307 CB LYS A 82 105.904 -5.900 5.138 1.00 0.00 C ATOM 1308 CG LYS A 82 105.803 -5.075 6.412 1.00 0.00 C ATOM 1309 CD LYS A 82 107.170 -4.847 7.038 1.00 0.00 C ATOM 1310 CE LYS A 82 107.318 -3.423 7.551 1.00 0.00 C ATOM 1311 NZ LYS A 82 106.417 -3.152 8.705 1.00 0.00 N ATOM 0 H LYS A 82 106.004 -6.886 2.874 1.00 0.00 H new ATOM 0 HA LYS A 82 105.473 -4.303 3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 82 104.959 -6.419 4.975 1.00 0.00 H new ATOM 0 HB3 LYS A 82 106.669 -6.665 5.270 1.00 0.00 H new ATOM 0 HG2 LYS A 82 105.339 -4.114 6.189 1.00 0.00 H new ATOM 0 HG3 LYS A 82 105.155 -5.584 7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 82 107.316 -5.548 7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 82 107.947 -5.052 6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 82 108.352 -3.250 7.849 1.00 0.00 H new ATOM 0 HE3 LYS A 82 107.097 -2.722 6.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 106.486 -2.149 8.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 105.436 -3.373 8.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 106.699 -3.744 9.512 1.00 0.00 H new ATOM 1325 N ALA A 83 108.650 -5.144 3.764 1.00 0.00 N ATOM 1326 CA ALA A 83 109.997 -4.609 3.855 1.00 0.00 C ATOM 1327 C ALA A 83 110.233 -3.598 2.743 1.00 0.00 C ATOM 1328 O ALA A 83 110.861 -2.558 2.949 1.00 0.00 O ATOM 1329 CB ALA A 83 111.023 -5.731 3.784 1.00 0.00 C ATOM 0 H ALA A 83 108.599 -6.115 3.456 1.00 0.00 H new ATOM 0 HA ALA A 83 110.109 -4.105 4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 83 112.027 -5.311 3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 83 110.862 -6.424 4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 83 110.917 -6.262 2.838 1.00 0.00 H new ATOM 1335 N VAL A 84 109.715 -3.916 1.559 1.00 0.00 N ATOM 1336 CA VAL A 84 109.862 -3.055 0.396 1.00 0.00 C ATOM 1337 C VAL A 84 109.290 -1.673 0.657 1.00 0.00 C ATOM 1338 O VAL A 84 109.883 -0.661 0.283 1.00 0.00 O ATOM 1339 CB VAL A 84 109.160 -3.664 -0.830 1.00 0.00 C ATOM 1340 CG1 VAL A 84 108.157 -2.681 -1.414 1.00 0.00 C ATOM 1341 CG2 VAL A 84 110.184 -4.087 -1.873 1.00 0.00 C ATOM 0 H VAL A 84 109.187 -4.771 1.383 1.00 0.00 H new ATOM 0 HA VAL A 84 110.930 -2.966 0.196 1.00 0.00 H new ATOM 0 HB VAL A 84 108.614 -4.552 -0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 84 107.670 -3.129 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 84 107.407 -2.437 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 84 108.674 -1.771 -1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 84 109.671 -4.516 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 84 110.761 -3.218 -2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 84 110.855 -4.831 -1.443 1.00 0.00 H new ATOM 1351 N LEU A 85 108.135 -1.638 1.300 1.00 0.00 N ATOM 1352 CA LEU A 85 107.479 -0.381 1.612 1.00 0.00 C ATOM 1353 C LEU A 85 108.258 0.396 2.666 1.00 0.00 C ATOM 1354 O LEU A 85 108.267 1.627 2.656 1.00 0.00 O ATOM 1355 CB LEU A 85 106.056 -0.634 2.115 1.00 0.00 C ATOM 1356 CG LEU A 85 105.057 -1.098 1.054 1.00 0.00 C ATOM 1357 CD1 LEU A 85 103.975 -1.959 1.690 1.00 0.00 C ATOM 1358 CD2 LEU A 85 104.439 0.097 0.345 1.00 0.00 C ATOM 0 H LEU A 85 107.632 -2.467 1.616 1.00 0.00 H new ATOM 0 HA LEU A 85 107.441 0.211 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 85 106.096 -1.384 2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 85 105.680 0.284 2.567 1.00 0.00 H new ATOM 0 HG LEU A 85 105.588 -1.698 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 85 103.270 -2.283 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 85 104.432 -2.833 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 85 103.447 -1.379 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 85 103.731 -0.252 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 85 103.919 0.722 1.071 1.00 0.00 H new ATOM 0 HD23 LEU A 85 105.224 0.679 -0.139 1.00 0.00 H new ATOM 1370 N ARG A 86 108.909 -0.324 3.579 1.00 0.00 N ATOM 1371 CA ARG A 86 109.661 0.323 4.647 1.00 0.00 C ATOM 1372 C ARG A 86 110.724 1.250 4.082 1.00 0.00 C ATOM 1373 O ARG A 86 110.826 2.409 4.486 1.00 0.00 O ATOM 1374 CB ARG A 86 110.313 -0.727 5.548 1.00 0.00 C ATOM 1375 CG ARG A 86 109.774 -0.728 6.969 1.00 0.00 C ATOM 1376 CD ARG A 86 110.715 -0.008 7.921 1.00 0.00 C ATOM 1377 NE ARG A 86 110.046 0.386 9.158 1.00 0.00 N ATOM 1378 CZ ARG A 86 109.776 -0.456 10.150 1.00 0.00 C ATOM 1379 NH1 ARG A 86 110.115 -1.734 10.049 1.00 0.00 N ATOM 1380 NH2 ARG A 86 109.166 -0.021 11.244 1.00 0.00 N ATOM 0 H ARG A 86 108.930 -1.344 3.599 1.00 0.00 H new ATOM 0 HA ARG A 86 108.963 0.918 5.236 1.00 0.00 H new ATOM 0 HB2 ARG A 86 110.162 -1.714 5.110 1.00 0.00 H new ATOM 0 HB3 ARG A 86 111.389 -0.552 5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 86 108.796 -0.247 6.989 1.00 0.00 H new ATOM 0 HG3 ARG A 86 109.631 -1.755 7.304 1.00 0.00 H new ATOM 0 HD2 ARG A 86 111.559 -0.657 8.156 1.00 0.00 H new ATOM 0 HD3 ARG A 86 111.120 0.877 7.430 1.00 0.00 H new ATOM 0 HE ARG A 86 109.771 1.362 9.267 1.00 0.00 H new ATOM 0 HH11 ARG A 86 110.584 -2.072 9.209 1.00 0.00 H new ATOM 0 HH12 ARG A 86 109.907 -2.379 10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 86 108.903 0.961 11.325 1.00 0.00 H new ATOM 0 HH22 ARG A 86 108.959 -0.669 12.004 1.00 0.00 H new ATOM 1394 N ILE A 87 111.497 0.755 3.131 1.00 0.00 N ATOM 1395 CA ILE A 87 112.526 1.569 2.516 1.00 0.00 C ATOM 1396 C ILE A 87 111.895 2.704 1.723 1.00 0.00 C ATOM 1397 O ILE A 87 112.444 3.805 1.649 1.00 0.00 O ATOM 1398 CB ILE A 87 113.431 0.738 1.584 1.00 0.00 C ATOM 1399 CG1 ILE A 87 112.608 0.092 0.467 1.00 0.00 C ATOM 1400 CG2 ILE A 87 114.176 -0.324 2.380 1.00 0.00 C ATOM 1401 CD1 ILE A 87 113.260 0.187 -0.896 1.00 0.00 C ATOM 0 H ILE A 87 111.432 -0.197 2.772 1.00 0.00 H new ATOM 0 HA ILE A 87 113.142 1.975 3.319 1.00 0.00 H new ATOM 0 HB ILE A 87 114.161 1.406 1.127 1.00 0.00 H new ATOM 0 HG12 ILE A 87 112.442 -0.958 0.709 1.00 0.00 H new ATOM 0 HG13 ILE A 87 111.628 0.568 0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 87 114.811 -0.903 1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 87 114.793 0.157 3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 87 113.458 -0.987 2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 87 112.622 -0.291 -1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 87 113.401 1.235 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 87 114.227 -0.315 -0.872 1.00 0.00 H new ATOM 1413 N ALA A 88 110.725 2.435 1.147 1.00 0.00 N ATOM 1414 CA ALA A 88 110.019 3.437 0.367 1.00 0.00 C ATOM 1415 C ALA A 88 109.644 4.621 1.236 1.00 0.00 C ATOM 1416 O ALA A 88 109.592 5.759 0.769 1.00 0.00 O ATOM 1417 CB ALA A 88 108.778 2.832 -0.272 1.00 0.00 C ATOM 0 H ALA A 88 110.251 1.534 1.208 1.00 0.00 H new ATOM 0 HA ALA A 88 110.681 3.788 -0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 88 108.259 3.595 -0.853 1.00 0.00 H new ATOM 0 HB2 ALA A 88 109.070 2.012 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 88 108.115 2.456 0.507 1.00 0.00 H new ATOM 1423 N LEU A 89 109.393 4.348 2.508 1.00 0.00 N ATOM 1424 CA LEU A 89 109.024 5.393 3.441 1.00 0.00 C ATOM 1425 C LEU A 89 110.138 6.422 3.556 1.00 0.00 C ATOM 1426 O LEU A 89 109.887 7.629 3.552 1.00 0.00 O ATOM 1427 CB LEU A 89 108.719 4.788 4.813 1.00 0.00 C ATOM 1428 CG LEU A 89 108.048 3.414 4.779 1.00 0.00 C ATOM 1429 CD1 LEU A 89 107.649 2.981 6.181 1.00 0.00 C ATOM 1430 CD2 LEU A 89 106.836 3.435 3.859 1.00 0.00 C ATOM 0 H LEU A 89 109.439 3.413 2.913 1.00 0.00 H new ATOM 0 HA LEU A 89 108.130 5.893 3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 89 109.651 4.707 5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 89 108.076 5.476 5.362 1.00 0.00 H new ATOM 0 HG LEU A 89 108.763 2.691 4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 89 107.173 2.001 6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 89 108.537 2.926 6.811 1.00 0.00 H new ATOM 0 HD13 LEU A 89 106.951 3.705 6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 89 106.371 2.449 3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 89 106.117 4.171 4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 89 107.150 3.700 2.849 1.00 0.00 H new ATOM 1442 N TYR A 90 111.374 5.947 3.634 1.00 0.00 N ATOM 1443 CA TYR A 90 112.511 6.844 3.734 1.00 0.00 C ATOM 1444 C TYR A 90 112.707 7.594 2.426 1.00 0.00 C ATOM 1445 O TYR A 90 113.217 8.714 2.407 1.00 0.00 O ATOM 1446 CB TYR A 90 113.782 6.086 4.111 1.00 0.00 C ATOM 1447 CG TYR A 90 114.541 6.713 5.262 1.00 0.00 C ATOM 1448 CD1 TYR A 90 114.304 8.031 5.651 1.00 0.00 C ATOM 1449 CD2 TYR A 90 115.496 5.986 5.963 1.00 0.00 C ATOM 1450 CE1 TYR A 90 114.999 8.599 6.702 1.00 0.00 C ATOM 1451 CE2 TYR A 90 116.193 6.550 7.016 1.00 0.00 C ATOM 1452 CZ TYR A 90 115.940 7.855 7.380 1.00 0.00 C ATOM 1453 OH TYR A 90 116.633 8.419 8.428 1.00 0.00 O ATOM 0 H TYR A 90 111.611 4.955 3.630 1.00 0.00 H new ATOM 0 HA TYR A 90 112.305 7.564 4.526 1.00 0.00 H new ATOM 0 HB2 TYR A 90 113.520 5.061 4.375 1.00 0.00 H new ATOM 0 HB3 TYR A 90 114.436 6.034 3.241 1.00 0.00 H new ATOM 0 HD1 TYR A 90 113.566 8.617 5.123 1.00 0.00 H new ATOM 0 HD2 TYR A 90 115.697 4.963 5.681 1.00 0.00 H new ATOM 0 HE1 TYR A 90 114.805 9.622 6.991 1.00 0.00 H new ATOM 0 HE2 TYR A 90 116.932 5.971 7.550 1.00 0.00 H new ATOM 0 HH TYR A 90 117.258 7.761 8.799 1.00 0.00 H new ATOM 1463 N GLU A 91 112.295 6.963 1.335 1.00 0.00 N ATOM 1464 CA GLU A 91 112.420 7.564 0.017 1.00 0.00 C ATOM 1465 C GLU A 91 111.792 8.950 -0.001 1.00 0.00 C ATOM 1466 O GLU A 91 112.279 9.854 -0.681 1.00 0.00 O ATOM 1467 CB GLU A 91 111.758 6.675 -1.038 1.00 0.00 C ATOM 1468 CG GLU A 91 112.014 7.132 -2.465 1.00 0.00 C ATOM 1469 CD GLU A 91 110.808 6.940 -3.364 1.00 0.00 C ATOM 1470 OE1 GLU A 91 109.989 6.043 -3.074 1.00 0.00 O ATOM 1471 OE2 GLU A 91 110.684 7.687 -4.358 1.00 0.00 O ATOM 0 H GLU A 91 111.871 6.035 1.338 1.00 0.00 H new ATOM 0 HA GLU A 91 113.480 7.659 -0.217 1.00 0.00 H new ATOM 0 HB2 GLU A 91 112.122 5.654 -0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 91 110.683 6.653 -0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 91 112.295 8.185 -2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 91 112.859 6.578 -2.874 1.00 0.00 H new ATOM 1478 N LEU A 92 110.708 9.117 0.752 1.00 0.00 N ATOM 1479 CA LEU A 92 110.022 10.400 0.817 1.00 0.00 C ATOM 1480 C LEU A 92 110.867 11.432 1.558 1.00 0.00 C ATOM 1481 O LEU A 92 110.935 12.595 1.161 1.00 0.00 O ATOM 1482 CB LEU A 92 108.665 10.239 1.499 1.00 0.00 C ATOM 1483 CG LEU A 92 107.811 9.091 0.961 1.00 0.00 C ATOM 1484 CD1 LEU A 92 107.270 8.249 2.104 1.00 0.00 C ATOM 1485 CD2 LEU A 92 106.674 9.629 0.106 1.00 0.00 C ATOM 0 H LEU A 92 110.289 8.383 1.322 1.00 0.00 H new ATOM 0 HA LEU A 92 109.866 10.756 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 92 108.826 10.085 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 92 108.107 11.169 1.392 1.00 0.00 H new ATOM 0 HG LEU A 92 108.439 8.456 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 92 106.664 7.437 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 92 108.101 7.834 2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 92 106.656 8.871 2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 92 106.076 8.798 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 92 106.046 10.286 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 92 107.084 10.189 -0.734 1.00 0.00 H new ATOM 1497 N SER A 93 111.510 10.996 2.636 1.00 0.00 N ATOM 1498 CA SER A 93 112.352 11.881 3.435 1.00 0.00 C ATOM 1499 C SER A 93 113.679 12.155 2.736 1.00 0.00 C ATOM 1500 O SER A 93 114.119 13.300 2.645 1.00 0.00 O ATOM 1501 CB SER A 93 112.605 11.267 4.814 1.00 0.00 C ATOM 1502 OG SER A 93 113.943 10.820 4.936 1.00 0.00 O ATOM 0 H SER A 93 111.465 10.036 2.977 1.00 0.00 H new ATOM 0 HA SER A 93 111.827 12.829 3.555 1.00 0.00 H new ATOM 0 HB2 SER A 93 112.393 12.004 5.588 1.00 0.00 H new ATOM 0 HB3 SER A 93 111.923 10.432 4.974 1.00 0.00 H new ATOM 0 HG SER A 93 114.001 10.153 5.652 1.00 0.00 H new ATOM 1508 N LYS A 94 114.313 11.095 2.243 1.00 0.00 N ATOM 1509 CA LYS A 94 115.592 11.223 1.553 1.00 0.00 C ATOM 1510 C LYS A 94 115.435 10.949 0.061 1.00 0.00 C ATOM 1511 O LYS A 94 116.218 10.205 -0.530 1.00 0.00 O ATOM 1512 CB LYS A 94 116.618 10.260 2.153 1.00 0.00 C ATOM 1513 CG LYS A 94 116.417 10.004 3.638 1.00 0.00 C ATOM 1514 CD LYS A 94 116.798 11.218 4.469 1.00 0.00 C ATOM 1515 CE LYS A 94 117.036 10.845 5.923 1.00 0.00 C ATOM 1516 NZ LYS A 94 117.993 11.774 6.587 1.00 0.00 N ATOM 0 H LYS A 94 113.962 10.139 2.308 1.00 0.00 H new ATOM 0 HA LYS A 94 115.944 12.246 1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 94 116.568 9.311 1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 94 117.618 10.663 1.994 1.00 0.00 H new ATOM 0 HG2 LYS A 94 115.375 9.746 3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 94 117.018 9.148 3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 94 117.698 11.674 4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 94 116.006 11.965 4.409 1.00 0.00 H new ATOM 0 HE2 LYS A 94 116.088 10.856 6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 94 117.421 9.827 5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 118.128 11.485 7.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 118.906 11.745 6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 117.614 12.742 6.558 1.00 0.00 H new ATOM 1530 N ARG A 95 114.419 11.556 -0.543 1.00 0.00 N ATOM 1531 CA ARG A 95 114.161 11.378 -1.967 1.00 0.00 C ATOM 1532 C ARG A 95 115.307 11.940 -2.803 1.00 0.00 C ATOM 1533 O ARG A 95 116.204 12.599 -2.279 1.00 0.00 O ATOM 1534 CB ARG A 95 112.848 12.060 -2.358 1.00 0.00 C ATOM 1535 CG ARG A 95 112.948 13.575 -2.433 1.00 0.00 C ATOM 1536 CD ARG A 95 112.267 14.238 -1.248 1.00 0.00 C ATOM 1537 NE ARG A 95 110.815 14.091 -1.299 1.00 0.00 N ATOM 1538 CZ ARG A 95 110.026 14.845 -2.058 1.00 0.00 C ATOM 1539 NH1 ARG A 95 110.548 15.793 -2.825 1.00 0.00 N ATOM 1540 NH2 ARG A 95 108.714 14.651 -2.052 1.00 0.00 N ATOM 0 H ARG A 95 113.761 12.175 -0.069 1.00 0.00 H new ATOM 0 HA ARG A 95 114.081 10.309 -2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 95 112.524 11.677 -3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 95 112.079 11.790 -1.634 1.00 0.00 H new ATOM 0 HG2 ARG A 95 113.997 13.870 -2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 95 112.492 13.925 -3.359 1.00 0.00 H new ATOM 0 HD2 ARG A 95 112.643 13.802 -0.323 1.00 0.00 H new ATOM 0 HD3 ARG A 95 112.524 15.297 -1.228 1.00 0.00 H new ATOM 0 HE ARG A 95 110.383 13.371 -0.721 1.00 0.00 H new ATOM 0 HH11 ARG A 95 111.557 15.945 -2.833 1.00 0.00 H new ATOM 0 HH12 ARG A 95 109.941 16.370 -3.407 1.00 0.00 H new ATOM 0 HH21 ARG A 95 108.309 13.922 -1.464 1.00 0.00 H new ATOM 0 HH22 ARG A 95 108.110 15.231 -2.635 1.00 0.00 H new ATOM 1554 N SER A 96 115.269 11.675 -4.104 1.00 0.00 N ATOM 1555 CA SER A 96 116.306 12.155 -5.012 1.00 0.00 C ATOM 1556 C SER A 96 115.710 13.051 -6.093 1.00 0.00 C ATOM 1557 O SER A 96 115.561 12.638 -7.244 1.00 0.00 O ATOM 1558 CB SER A 96 117.035 10.974 -5.656 1.00 0.00 C ATOM 1559 OG SER A 96 116.187 10.281 -6.557 1.00 0.00 O ATOM 0 H SER A 96 114.533 11.131 -4.554 1.00 0.00 H new ATOM 0 HA SER A 96 117.019 12.741 -4.433 1.00 0.00 H new ATOM 0 HB2 SER A 96 117.918 11.332 -6.185 1.00 0.00 H new ATOM 0 HB3 SER A 96 117.383 10.291 -4.881 1.00 0.00 H new ATOM 0 HG SER A 96 115.832 10.909 -7.220 1.00 0.00 H new ATOM 1565 N ASP A 97 115.371 14.279 -5.716 1.00 0.00 N ATOM 1566 CA ASP A 97 114.791 15.234 -6.653 1.00 0.00 C ATOM 1567 C ASP A 97 113.412 14.774 -7.118 1.00 0.00 C ATOM 1568 O ASP A 97 112.829 15.357 -8.033 1.00 0.00 O ATOM 1569 CB ASP A 97 115.713 15.422 -7.859 1.00 0.00 C ATOM 1570 CG ASP A 97 115.104 14.889 -9.142 1.00 0.00 C ATOM 1571 OD1 ASP A 97 114.732 13.698 -9.173 1.00 0.00 O ATOM 1572 OD2 ASP A 97 114.998 15.665 -10.115 1.00 0.00 O ATOM 0 H ASP A 97 115.488 14.637 -4.768 1.00 0.00 H new ATOM 0 HA ASP A 97 114.680 16.188 -6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 97 115.937 16.482 -7.980 1.00 0.00 H new ATOM 0 HB3 ASP A 97 116.660 14.915 -7.672 1.00 0.00 H new ATOM 1577 N VAL A 98 112.895 13.728 -6.482 1.00 0.00 N ATOM 1578 CA VAL A 98 111.585 13.191 -6.831 1.00 0.00 C ATOM 1579 C VAL A 98 110.542 13.577 -5.788 1.00 0.00 C ATOM 1580 O VAL A 98 110.757 13.406 -4.588 1.00 0.00 O ATOM 1581 CB VAL A 98 111.624 11.657 -6.959 1.00 0.00 C ATOM 1582 CG1 VAL A 98 111.026 11.002 -5.723 1.00 0.00 C ATOM 1583 CG2 VAL A 98 110.893 11.207 -8.215 1.00 0.00 C ATOM 0 H VAL A 98 113.364 13.235 -5.722 1.00 0.00 H new ATOM 0 HA VAL A 98 111.310 13.621 -7.794 1.00 0.00 H new ATOM 0 HB VAL A 98 112.665 11.344 -7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 98 111.062 9.918 -5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 98 111.597 11.298 -4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.990 11.320 -5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 98 110.931 10.120 -8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 98 109.853 11.531 -8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 98 111.370 11.647 -9.091 1.00 0.00 H new ATOM 1593 N PRO A 99 109.393 14.103 -6.237 1.00 0.00 N ATOM 1594 CA PRO A 99 108.307 14.515 -5.344 1.00 0.00 C ATOM 1595 C PRO A 99 107.885 13.397 -4.398 1.00 0.00 C ATOM 1596 O PRO A 99 108.564 12.376 -4.286 1.00 0.00 O ATOM 1597 CB PRO A 99 107.157 14.875 -6.299 1.00 0.00 C ATOM 1598 CG PRO A 99 107.559 14.340 -7.633 1.00 0.00 C ATOM 1599 CD PRO A 99 109.060 14.336 -7.646 1.00 0.00 C ATOM 0 HA PRO A 99 108.607 15.341 -4.699 1.00 0.00 H new ATOM 0 HB2 PRO A 99 106.218 14.432 -5.966 1.00 0.00 H new ATOM 0 HB3 PRO A 99 107.004 15.953 -6.339 1.00 0.00 H new ATOM 0 HG2 PRO A 99 107.165 13.335 -7.784 1.00 0.00 H new ATOM 0 HG3 PRO A 99 107.164 14.961 -8.437 1.00 0.00 H new ATOM 0 HD2 PRO A 99 109.457 13.552 -8.291 1.00 0.00 H new ATOM 0 HD3 PRO A 99 109.465 15.282 -8.007 1.00 0.00 H new ATOM 1607 N TYR A 100 106.764 13.596 -3.714 1.00 0.00 N ATOM 1608 CA TYR A 100 106.257 12.605 -2.773 1.00 0.00 C ATOM 1609 C TYR A 100 105.199 11.718 -3.425 1.00 0.00 C ATOM 1610 O TYR A 100 105.232 10.495 -3.291 1.00 0.00 O ATOM 1611 CB TYR A 100 105.673 13.297 -1.537 1.00 0.00 C ATOM 1612 CG TYR A 100 104.196 13.596 -1.648 1.00 0.00 C ATOM 1613 CD1 TYR A 100 103.738 14.676 -2.391 1.00 0.00 C ATOM 1614 CD2 TYR A 100 103.257 12.795 -1.011 1.00 0.00 C ATOM 1615 CE1 TYR A 100 102.387 14.948 -2.498 1.00 0.00 C ATOM 1616 CE2 TYR A 100 101.907 13.058 -1.112 1.00 0.00 C ATOM 1617 CZ TYR A 100 101.475 14.136 -1.858 1.00 0.00 C ATOM 1618 OH TYR A 100 100.129 14.402 -1.961 1.00 0.00 O ATOM 0 H TYR A 100 106.189 14.435 -3.794 1.00 0.00 H new ATOM 0 HA TYR A 100 107.091 11.973 -2.468 1.00 0.00 H new ATOM 0 HB2 TYR A 100 105.842 12.666 -0.665 1.00 0.00 H new ATOM 0 HB3 TYR A 100 106.211 14.229 -1.365 1.00 0.00 H new ATOM 0 HD1 TYR A 100 104.449 15.314 -2.894 1.00 0.00 H new ATOM 0 HD2 TYR A 100 103.590 11.951 -0.426 1.00 0.00 H new ATOM 0 HE1 TYR A 100 102.048 15.792 -3.080 1.00 0.00 H new ATOM 0 HE2 TYR A 100 101.191 12.424 -0.610 1.00 0.00 H new ATOM 0 HH TYR A 100 99.624 13.734 -1.452 1.00 0.00 H new ATOM 1628 N LYS A 101 104.263 12.343 -4.132 1.00 0.00 N ATOM 1629 CA LYS A 101 103.194 11.611 -4.803 1.00 0.00 C ATOM 1630 C LYS A 101 103.756 10.612 -5.810 1.00 0.00 C ATOM 1631 O LYS A 101 103.194 9.535 -6.011 1.00 0.00 O ATOM 1632 CB LYS A 101 102.249 12.584 -5.509 1.00 0.00 C ATOM 1633 CG LYS A 101 100.810 12.495 -5.025 1.00 0.00 C ATOM 1634 CD LYS A 101 99.827 12.561 -6.182 1.00 0.00 C ATOM 1635 CE LYS A 101 98.417 12.214 -5.736 1.00 0.00 C ATOM 1636 NZ LYS A 101 97.589 11.694 -6.860 1.00 0.00 N ATOM 0 H LYS A 101 104.223 13.355 -4.255 1.00 0.00 H new ATOM 0 HA LYS A 101 102.641 11.057 -4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 101 102.611 13.601 -5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 101 102.276 12.390 -6.581 1.00 0.00 H new ATOM 0 HG2 LYS A 101 100.666 11.564 -4.477 1.00 0.00 H new ATOM 0 HG3 LYS A 101 100.609 13.309 -4.328 1.00 0.00 H new ATOM 0 HD2 LYS A 101 99.837 13.562 -6.613 1.00 0.00 H new ATOM 0 HD3 LYS A 101 100.141 11.873 -6.967 1.00 0.00 H new ATOM 0 HE2 LYS A 101 98.461 11.468 -4.943 1.00 0.00 H new ATOM 0 HE3 LYS A 101 97.942 13.100 -5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 96.635 11.469 -6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 97.525 12.415 -7.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 98.028 10.834 -7.246 1.00 0.00 H new ATOM 1650 N VAL A 102 104.866 10.976 -6.444 1.00 0.00 N ATOM 1651 CA VAL A 102 105.499 10.113 -7.433 1.00 0.00 C ATOM 1652 C VAL A 102 106.005 8.820 -6.799 1.00 0.00 C ATOM 1653 O VAL A 102 105.965 7.758 -7.420 1.00 0.00 O ATOM 1654 CB VAL A 102 106.675 10.823 -8.127 1.00 0.00 C ATOM 1655 CG1 VAL A 102 107.842 10.989 -7.167 1.00 0.00 C ATOM 1656 CG2 VAL A 102 107.102 10.057 -9.370 1.00 0.00 C ATOM 0 H VAL A 102 105.345 11.863 -6.290 1.00 0.00 H new ATOM 0 HA VAL A 102 104.736 9.875 -8.175 1.00 0.00 H new ATOM 0 HB VAL A 102 106.345 11.815 -8.435 1.00 0.00 H new ATOM 0 HG11 VAL A 102 108.663 11.493 -7.676 1.00 0.00 H new ATOM 0 HG12 VAL A 102 107.526 11.584 -6.310 1.00 0.00 H new ATOM 0 HG13 VAL A 102 108.174 10.009 -6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 102 107.934 10.574 -9.848 1.00 0.00 H new ATOM 0 HG22 VAL A 102 107.413 9.051 -9.088 1.00 0.00 H new ATOM 0 HG23 VAL A 102 106.265 9.997 -10.066 1.00 0.00 H new ATOM 1666 N ALA A 103 106.481 8.916 -5.562 1.00 0.00 N ATOM 1667 CA ALA A 103 106.995 7.751 -4.852 1.00 0.00 C ATOM 1668 C ALA A 103 105.907 6.700 -4.661 1.00 0.00 C ATOM 1669 O ALA A 103 106.195 5.511 -4.530 1.00 0.00 O ATOM 1670 CB ALA A 103 107.573 8.166 -3.508 1.00 0.00 C ATOM 0 H ALA A 103 106.521 9.786 -5.032 1.00 0.00 H new ATOM 0 HA ALA A 103 107.788 7.309 -5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 103 107.953 7.287 -2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 103 108.386 8.875 -3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 103 106.794 8.635 -2.906 1.00 0.00 H new ATOM 1676 N ILE A 104 104.656 7.149 -4.648 1.00 0.00 N ATOM 1677 CA ILE A 104 103.522 6.251 -4.472 1.00 0.00 C ATOM 1678 C ILE A 104 103.487 5.194 -5.566 1.00 0.00 C ATOM 1679 O ILE A 104 103.171 4.032 -5.315 1.00 0.00 O ATOM 1680 CB ILE A 104 102.188 7.022 -4.480 1.00 0.00 C ATOM 1681 CG1 ILE A 104 101.894 7.597 -3.094 1.00 0.00 C ATOM 1682 CG2 ILE A 104 101.055 6.114 -4.934 1.00 0.00 C ATOM 1683 CD1 ILE A 104 103.066 8.331 -2.481 1.00 0.00 C ATOM 0 H ILE A 104 104.403 8.131 -4.757 1.00 0.00 H new ATOM 0 HA ILE A 104 103.649 5.767 -3.503 1.00 0.00 H new ATOM 0 HB ILE A 104 102.270 7.850 -5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 104 101.046 8.279 -3.165 1.00 0.00 H new ATOM 0 HG13 ILE A 104 101.596 6.786 -2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 104 100.119 6.673 -4.935 1.00 0.00 H new ATOM 0 HG22 ILE A 104 101.261 5.750 -5.941 1.00 0.00 H new ATOM 0 HG23 ILE A 104 100.972 5.267 -4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 104 102.784 8.711 -1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 104 103.909 7.648 -2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 104 103.351 9.164 -3.124 1.00 0.00 H new ATOM 1695 N ASN A 105 103.816 5.611 -6.780 1.00 0.00 N ATOM 1696 CA ASN A 105 103.823 4.707 -7.924 1.00 0.00 C ATOM 1697 C ASN A 105 104.775 3.536 -7.689 1.00 0.00 C ATOM 1698 O ASN A 105 104.566 2.441 -8.212 1.00 0.00 O ATOM 1699 CB ASN A 105 104.225 5.460 -9.193 1.00 0.00 C ATOM 1700 CG ASN A 105 103.731 4.775 -10.452 1.00 0.00 C ATOM 1701 OD1 ASN A 105 104.523 4.340 -11.288 1.00 0.00 O ATOM 1702 ND2 ASN A 105 102.414 4.677 -10.595 1.00 0.00 N ATOM 0 H ASN A 105 104.082 6.571 -7.000 1.00 0.00 H new ATOM 0 HA ASN A 105 102.815 4.312 -8.048 1.00 0.00 H new ATOM 0 HB2 ASN A 105 103.825 6.473 -9.153 1.00 0.00 H new ATOM 0 HB3 ASN A 105 105.311 5.547 -9.232 1.00 0.00 H new ATOM 0 HD21 ASN A 105 102.023 4.227 -11.423 1.00 0.00 H new ATOM 0 HD22 ASN A 105 101.794 5.052 -9.877 1.00 0.00 H new ATOM 1709 N GLU A 106 105.820 3.778 -6.908 1.00 0.00 N ATOM 1710 CA GLU A 106 106.808 2.746 -6.609 1.00 0.00 C ATOM 1711 C GLU A 106 106.206 1.622 -5.768 1.00 0.00 C ATOM 1712 O GLU A 106 106.512 0.448 -5.978 1.00 0.00 O ATOM 1713 CB GLU A 106 108.005 3.356 -5.878 1.00 0.00 C ATOM 1714 CG GLU A 106 109.294 3.317 -6.682 1.00 0.00 C ATOM 1715 CD GLU A 106 110.525 3.198 -5.804 1.00 0.00 C ATOM 1716 OE1 GLU A 106 110.834 4.168 -5.082 1.00 0.00 O ATOM 1717 OE2 GLU A 106 111.180 2.135 -5.841 1.00 0.00 O ATOM 0 H GLU A 106 106.007 4.680 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 106 107.140 2.321 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 106 107.776 4.391 -5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 106 108.156 2.824 -4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 106 109.262 2.474 -7.373 1.00 0.00 H new ATOM 0 HG3 GLU A 106 109.369 4.221 -7.286 1.00 0.00 H new ATOM 1724 N ALA A 107 105.342 1.983 -4.823 1.00 0.00 N ATOM 1725 CA ALA A 107 104.702 1.001 -3.963 1.00 0.00 C ATOM 1726 C ALA A 107 104.344 -0.242 -4.758 1.00 0.00 C ATOM 1727 O ALA A 107 104.964 -1.296 -4.605 1.00 0.00 O ATOM 1728 CB ALA A 107 103.458 1.596 -3.322 1.00 0.00 C ATOM 0 H ALA A 107 105.071 2.949 -4.636 1.00 0.00 H new ATOM 0 HA ALA A 107 105.400 0.719 -3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 107 102.988 0.851 -2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 107 103.736 2.465 -2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 107 102.757 1.899 -4.100 1.00 0.00 H new ATOM 1734 N ILE A 108 103.338 -0.105 -5.610 1.00 0.00 N ATOM 1735 CA ILE A 108 102.880 -1.209 -6.434 1.00 0.00 C ATOM 1736 C ILE A 108 104.042 -1.942 -7.094 1.00 0.00 C ATOM 1737 O ILE A 108 104.069 -3.172 -7.130 1.00 0.00 O ATOM 1738 CB ILE A 108 101.908 -0.733 -7.529 1.00 0.00 C ATOM 1739 CG1 ILE A 108 100.942 0.310 -6.967 1.00 0.00 C ATOM 1740 CG2 ILE A 108 101.144 -1.916 -8.106 1.00 0.00 C ATOM 1741 CD1 ILE A 108 99.697 0.495 -7.806 1.00 0.00 C ATOM 0 H ILE A 108 102.823 0.765 -5.747 1.00 0.00 H new ATOM 0 HA ILE A 108 102.361 -1.894 -5.763 1.00 0.00 H new ATOM 0 HB ILE A 108 102.484 -0.270 -8.330 1.00 0.00 H new ATOM 0 HG12 ILE A 108 100.650 0.017 -5.958 1.00 0.00 H new ATOM 0 HG13 ILE A 108 101.460 1.266 -6.884 1.00 0.00 H new ATOM 0 HG21 ILE A 108 100.460 -1.565 -8.879 1.00 0.00 H new ATOM 0 HG22 ILE A 108 101.847 -2.627 -8.539 1.00 0.00 H new ATOM 0 HG23 ILE A 108 100.576 -2.404 -7.314 1.00 0.00 H new ATOM 0 HD11 ILE A 108 99.058 1.249 -7.347 1.00 0.00 H new ATOM 0 HD12 ILE A 108 99.978 0.818 -8.808 1.00 0.00 H new ATOM 0 HD13 ILE A 108 99.156 -0.449 -7.868 1.00 0.00 H new ATOM 1753 N GLU A 109 104.996 -1.185 -7.621 1.00 0.00 N ATOM 1754 CA GLU A 109 106.153 -1.771 -8.287 1.00 0.00 C ATOM 1755 C GLU A 109 106.895 -2.726 -7.360 1.00 0.00 C ATOM 1756 O GLU A 109 107.187 -3.866 -7.726 1.00 0.00 O ATOM 1757 CB GLU A 109 107.100 -0.673 -8.770 1.00 0.00 C ATOM 1758 CG GLU A 109 106.917 -0.313 -10.235 1.00 0.00 C ATOM 1759 CD GLU A 109 107.586 -1.303 -11.168 1.00 0.00 C ATOM 1760 OE1 GLU A 109 107.008 -2.387 -11.396 1.00 0.00 O ATOM 1761 OE2 GLU A 109 108.687 -0.997 -11.670 1.00 0.00 O ATOM 0 H GLU A 109 104.992 -0.165 -7.600 1.00 0.00 H new ATOM 0 HA GLU A 109 105.794 -2.337 -9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 109 106.947 0.220 -8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 109 108.129 -0.995 -8.609 1.00 0.00 H new ATOM 0 HG2 GLU A 109 105.852 -0.267 -10.463 1.00 0.00 H new ATOM 0 HG3 GLU A 109 107.325 0.682 -10.414 1.00 0.00 H new ATOM 1768 N LEU A 110 107.196 -2.255 -6.156 1.00 0.00 N ATOM 1769 CA LEU A 110 107.909 -3.063 -5.176 1.00 0.00 C ATOM 1770 C LEU A 110 106.977 -4.061 -4.496 1.00 0.00 C ATOM 1771 O LEU A 110 107.373 -4.758 -3.562 1.00 0.00 O ATOM 1772 CB LEU A 110 108.566 -2.158 -4.134 1.00 0.00 C ATOM 1773 CG LEU A 110 109.411 -1.020 -4.707 1.00 0.00 C ATOM 1774 CD1 LEU A 110 110.553 -0.677 -3.764 1.00 0.00 C ATOM 1775 CD2 LEU A 110 109.947 -1.396 -6.081 1.00 0.00 C ATOM 0 H LEU A 110 106.957 -1.317 -5.835 1.00 0.00 H new ATOM 0 HA LEU A 110 108.680 -3.629 -5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 110 107.787 -1.730 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 110 109.197 -2.770 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 110 108.778 -0.139 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 110 111.144 0.135 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 110 110.149 -0.367 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 110 111.187 -1.553 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 110 110.546 -0.575 -6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 110 110.565 -2.290 -5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 110 109.114 -1.593 -6.755 1.00 0.00 H new ATOM 1787 N ALA A 111 105.740 -4.132 -4.975 1.00 0.00 N ATOM 1788 CA ALA A 111 104.759 -5.052 -4.419 1.00 0.00 C ATOM 1789 C ALA A 111 104.485 -6.203 -5.380 1.00 0.00 C ATOM 1790 O ALA A 111 103.796 -7.162 -5.031 1.00 0.00 O ATOM 1791 CB ALA A 111 103.470 -4.315 -4.091 1.00 0.00 C ATOM 0 H ALA A 111 105.394 -3.563 -5.747 1.00 0.00 H new ATOM 0 HA ALA A 111 105.167 -5.470 -3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 111 102.746 -5.016 -3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 111 103.675 -3.531 -3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 111 103.064 -3.869 -4.999 1.00 0.00 H new ATOM 1797 N LYS A 112 105.029 -6.107 -6.591 1.00 0.00 N ATOM 1798 CA LYS A 112 104.838 -7.150 -7.594 1.00 0.00 C ATOM 1799 C LYS A 112 106.129 -7.930 -7.823 1.00 0.00 C ATOM 1800 O LYS A 112 106.251 -9.082 -7.408 1.00 0.00 O ATOM 1801 CB LYS A 112 104.356 -6.550 -8.918 1.00 0.00 C ATOM 1802 CG LYS A 112 104.218 -5.036 -8.894 1.00 0.00 C ATOM 1803 CD LYS A 112 104.027 -4.475 -10.294 1.00 0.00 C ATOM 1804 CE LYS A 112 103.058 -3.304 -10.297 1.00 0.00 C ATOM 1805 NZ LYS A 112 101.769 -3.653 -10.956 1.00 0.00 N ATOM 0 H LYS A 112 105.602 -5.322 -6.900 1.00 0.00 H new ATOM 0 HA LYS A 112 104.077 -7.834 -7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 112 105.054 -6.829 -9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 112 103.392 -6.989 -9.175 1.00 0.00 H new ATOM 0 HG2 LYS A 112 103.370 -4.756 -8.269 1.00 0.00 H new ATOM 0 HG3 LYS A 112 105.106 -4.595 -8.442 1.00 0.00 H new ATOM 0 HD2 LYS A 112 104.989 -4.154 -10.693 1.00 0.00 H new ATOM 0 HD3 LYS A 112 103.654 -5.259 -10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 112 102.868 -2.987 -9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 112 103.512 -2.458 -10.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 101.135 -2.829 -10.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 101.947 -3.931 -11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 101.323 -4.444 -10.449 1.00 0.00 H new ATOM 1819 N SER A 113 107.087 -7.295 -8.488 1.00 0.00 N ATOM 1820 CA SER A 113 108.368 -7.929 -8.775 1.00 0.00 C ATOM 1821 C SER A 113 109.141 -8.201 -7.489 1.00 0.00 C ATOM 1822 O SER A 113 109.991 -9.091 -7.440 1.00 0.00 O ATOM 1823 CB SER A 113 109.201 -7.044 -9.704 1.00 0.00 C ATOM 1824 OG SER A 113 110.099 -7.821 -10.477 1.00 0.00 O ATOM 0 H SER A 113 107.001 -6.341 -8.839 1.00 0.00 H new ATOM 0 HA SER A 113 108.171 -8.881 -9.268 1.00 0.00 H new ATOM 0 HB2 SER A 113 108.541 -6.481 -10.364 1.00 0.00 H new ATOM 0 HB3 SER A 113 109.759 -6.316 -9.115 1.00 0.00 H new ATOM 0 HG SER A 113 110.619 -7.233 -11.064 1.00 0.00 H new ATOM 1830 N PHE A 114 108.843 -7.427 -6.451 1.00 0.00 N ATOM 1831 CA PHE A 114 109.513 -7.582 -5.166 1.00 0.00 C ATOM 1832 C PHE A 114 108.658 -8.387 -4.192 1.00 0.00 C ATOM 1833 O PHE A 114 109.112 -8.748 -3.106 1.00 0.00 O ATOM 1834 CB PHE A 114 109.835 -6.210 -4.572 1.00 0.00 C ATOM 1835 CG PHE A 114 110.983 -5.521 -5.251 1.00 0.00 C ATOM 1836 CD1 PHE A 114 110.794 -4.844 -6.444 1.00 0.00 C ATOM 1837 CD2 PHE A 114 112.253 -5.553 -4.697 1.00 0.00 C ATOM 1838 CE1 PHE A 114 111.849 -4.210 -7.073 1.00 0.00 C ATOM 1839 CE2 PHE A 114 113.312 -4.922 -5.321 1.00 0.00 C ATOM 1840 CZ PHE A 114 113.110 -4.249 -6.511 1.00 0.00 C ATOM 0 H PHE A 114 108.142 -6.686 -6.475 1.00 0.00 H new ATOM 0 HA PHE A 114 110.442 -8.128 -5.332 1.00 0.00 H new ATOM 0 HB2 PHE A 114 108.950 -5.577 -4.638 1.00 0.00 H new ATOM 0 HB3 PHE A 114 110.065 -6.326 -3.513 1.00 0.00 H new ATOM 0 HD1 PHE A 114 109.810 -4.811 -6.888 1.00 0.00 H new ATOM 0 HD2 PHE A 114 112.417 -6.077 -3.767 1.00 0.00 H new ATOM 0 HE1 PHE A 114 111.687 -3.685 -8.003 1.00 0.00 H new ATOM 0 HE2 PHE A 114 114.297 -4.955 -4.879 1.00 0.00 H new ATOM 0 HZ PHE A 114 113.936 -3.755 -7.000 1.00 0.00 H new ATOM 1850 N GLY A 115 107.419 -8.668 -4.585 1.00 0.00 N ATOM 1851 CA GLY A 115 106.527 -9.429 -3.731 1.00 0.00 C ATOM 1852 C GLY A 115 105.584 -10.315 -4.519 1.00 0.00 C ATOM 1853 O GLY A 115 106.008 -11.293 -5.136 1.00 0.00 O ATOM 0 H GLY A 115 107.018 -8.382 -5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 115 107.117 -10.045 -3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 115 105.946 -8.743 -3.115 1.00 0.00 H new ATOM 1857 N ALA A 116 104.300 -9.974 -4.498 1.00 0.00 N ATOM 1858 CA ALA A 116 103.290 -10.744 -5.214 1.00 0.00 C ATOM 1859 C ALA A 116 102.459 -9.850 -6.127 1.00 0.00 C ATOM 1860 O ALA A 116 102.216 -8.684 -5.816 1.00 0.00 O ATOM 1861 CB ALA A 116 102.391 -11.478 -4.229 1.00 0.00 C ATOM 0 H ALA A 116 103.934 -9.168 -3.992 1.00 0.00 H new ATOM 0 HA ALA A 116 103.803 -11.476 -5.838 1.00 0.00 H new ATOM 0 HB1 ALA A 116 101.641 -12.049 -4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 116 102.992 -12.156 -3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 116 101.895 -10.755 -3.581 1.00 0.00 H new ATOM 1867 N GLU A 117 102.027 -10.403 -7.256 1.00 0.00 N ATOM 1868 CA GLU A 117 101.223 -9.653 -8.214 1.00 0.00 C ATOM 1869 C GLU A 117 99.831 -9.370 -7.658 1.00 0.00 C ATOM 1870 O GLU A 117 99.341 -8.243 -7.731 1.00 0.00 O ATOM 1871 CB GLU A 117 101.111 -10.422 -9.531 1.00 0.00 C ATOM 1872 CG GLU A 117 100.502 -9.608 -10.661 1.00 0.00 C ATOM 1873 CD GLU A 117 99.928 -10.477 -11.762 1.00 0.00 C ATOM 1874 OE1 GLU A 117 100.380 -11.634 -11.901 1.00 0.00 O ATOM 1875 OE2 GLU A 117 99.028 -10.002 -12.487 1.00 0.00 O ATOM 0 H GLU A 117 102.220 -11.367 -7.529 1.00 0.00 H new ATOM 0 HA GLU A 117 101.721 -8.701 -8.397 1.00 0.00 H new ATOM 0 HB2 GLU A 117 102.103 -10.759 -9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 117 100.506 -11.315 -9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 117 99.715 -8.969 -10.260 1.00 0.00 H new ATOM 0 HG3 GLU A 117 101.263 -8.951 -11.082 1.00 0.00 H new ATOM 1882 N ASP A 118 99.198 -10.400 -7.104 1.00 0.00 N ATOM 1883 CA ASP A 118 97.861 -10.261 -6.535 1.00 0.00 C ATOM 1884 C ASP A 118 97.691 -8.898 -5.874 1.00 0.00 C ATOM 1885 O ASP A 118 97.281 -7.931 -6.517 1.00 0.00 O ATOM 1886 CB ASP A 118 97.599 -11.371 -5.517 1.00 0.00 C ATOM 1887 CG ASP A 118 96.404 -11.073 -4.632 1.00 0.00 C ATOM 1888 OD1 ASP A 118 95.539 -10.276 -5.052 1.00 0.00 O ATOM 1889 OD2 ASP A 118 96.333 -11.639 -3.521 1.00 0.00 O ATOM 0 H ASP A 118 99.589 -11.340 -7.037 1.00 0.00 H new ATOM 0 HA ASP A 118 97.138 -10.344 -7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 118 97.433 -12.311 -6.043 1.00 0.00 H new ATOM 0 HB3 ASP A 118 98.484 -11.506 -4.895 1.00 0.00 H new ATOM 1894 N SER A 119 98.013 -8.826 -4.586 1.00 0.00 N ATOM 1895 CA SER A 119 97.900 -7.580 -3.838 1.00 0.00 C ATOM 1896 C SER A 119 98.993 -6.600 -4.253 1.00 0.00 C ATOM 1897 O SER A 119 100.057 -6.546 -3.637 1.00 0.00 O ATOM 1898 CB SER A 119 97.988 -7.853 -2.336 1.00 0.00 C ATOM 1899 OG SER A 119 96.698 -7.903 -1.750 1.00 0.00 O ATOM 0 H SER A 119 98.354 -9.616 -4.039 1.00 0.00 H new ATOM 0 HA SER A 119 96.931 -7.135 -4.062 1.00 0.00 H new ATOM 0 HB2 SER A 119 98.506 -8.797 -2.164 1.00 0.00 H new ATOM 0 HB3 SER A 119 98.579 -7.073 -1.856 1.00 0.00 H new ATOM 0 HG SER A 119 96.533 -7.076 -1.251 1.00 0.00 H new ATOM 1905 N HIS A 120 98.726 -5.830 -5.304 1.00 0.00 N ATOM 1906 CA HIS A 120 99.692 -4.857 -5.799 1.00 0.00 C ATOM 1907 C HIS A 120 99.149 -3.435 -5.693 1.00 0.00 C ATOM 1908 O HIS A 120 99.787 -2.561 -5.112 1.00 0.00 O ATOM 1909 CB HIS A 120 100.065 -5.171 -7.250 1.00 0.00 C ATOM 1910 CG HIS A 120 98.921 -5.034 -8.206 1.00 0.00 C ATOM 1911 ND1 HIS A 120 97.809 -5.851 -8.174 1.00 0.00 N ATOM 1912 CD2 HIS A 120 98.716 -4.166 -9.226 1.00 0.00 C ATOM 1913 CE1 HIS A 120 96.974 -5.493 -9.132 1.00 0.00 C ATOM 1914 NE2 HIS A 120 97.500 -4.474 -9.784 1.00 0.00 N ATOM 0 H HIS A 120 97.851 -5.861 -5.827 1.00 0.00 H new ATOM 0 HA HIS A 120 100.585 -4.925 -5.178 1.00 0.00 H new ATOM 0 HB2 HIS A 120 100.870 -4.505 -7.562 1.00 0.00 H new ATOM 0 HB3 HIS A 120 100.453 -6.188 -7.305 1.00 0.00 H new ATOM 0 HD1 HIS A 120 97.656 -6.613 -7.513 1.00 0.00 H new ATOM 0 HD2 HIS A 120 99.385 -3.379 -9.541 1.00 0.00 H new ATOM 0 HE1 HIS A 120 96.022 -5.956 -9.346 1.00 0.00 H new ATOM 1923 N LYS A 121 97.972 -3.206 -6.259 1.00 0.00 N ATOM 1924 CA LYS A 121 97.359 -1.884 -6.222 1.00 0.00 C ATOM 1925 C LYS A 121 97.126 -1.426 -4.786 1.00 0.00 C ATOM 1926 O LYS A 121 97.301 -0.251 -4.461 1.00 0.00 O ATOM 1927 CB LYS A 121 96.034 -1.893 -6.987 1.00 0.00 C ATOM 1928 CG LYS A 121 96.188 -1.626 -8.475 1.00 0.00 C ATOM 1929 CD LYS A 121 94.900 -1.092 -9.082 1.00 0.00 C ATOM 1930 CE LYS A 121 95.020 -0.929 -10.588 1.00 0.00 C ATOM 1931 NZ LYS A 121 95.305 0.480 -10.974 1.00 0.00 N ATOM 0 H LYS A 121 97.424 -3.914 -6.747 1.00 0.00 H new ATOM 0 HA LYS A 121 98.044 -1.183 -6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 121 95.551 -2.860 -6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 121 95.372 -1.141 -6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 121 96.992 -0.908 -8.635 1.00 0.00 H new ATOM 0 HG3 LYS A 121 96.477 -2.546 -8.983 1.00 0.00 H new ATOM 0 HD2 LYS A 121 94.079 -1.772 -8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 121 94.654 -0.131 -8.629 1.00 0.00 H new ATOM 0 HE2 LYS A 121 95.815 -1.575 -10.961 1.00 0.00 H new ATOM 0 HE3 LYS A 121 94.095 -1.255 -11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 95.379 0.548 -12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 94.534 1.094 -10.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 96.201 0.784 -10.542 1.00 0.00 H new ATOM 1945 N PHE A 122 96.728 -2.361 -3.930 1.00 0.00 N ATOM 1946 CA PHE A 122 96.461 -2.054 -2.530 1.00 0.00 C ATOM 1947 C PHE A 122 97.692 -1.470 -1.844 1.00 0.00 C ATOM 1948 O PHE A 122 97.573 -0.620 -0.961 1.00 0.00 O ATOM 1949 CB PHE A 122 96.002 -3.312 -1.790 1.00 0.00 C ATOM 1950 CG PHE A 122 96.904 -3.703 -0.654 1.00 0.00 C ATOM 1951 CD1 PHE A 122 96.960 -2.937 0.499 1.00 0.00 C ATOM 1952 CD2 PHE A 122 97.696 -4.836 -0.741 1.00 0.00 C ATOM 1953 CE1 PHE A 122 97.789 -3.295 1.545 1.00 0.00 C ATOM 1954 CE2 PHE A 122 98.528 -5.199 0.301 1.00 0.00 C ATOM 1955 CZ PHE A 122 98.574 -4.427 1.447 1.00 0.00 C ATOM 0 H PHE A 122 96.583 -3.339 -4.182 1.00 0.00 H new ATOM 0 HA PHE A 122 95.668 -1.307 -2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 122 94.995 -3.150 -1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 122 95.943 -4.139 -2.498 1.00 0.00 H new ATOM 0 HD1 PHE A 122 96.349 -2.050 0.581 1.00 0.00 H new ATOM 0 HD2 PHE A 122 97.663 -5.443 -1.634 1.00 0.00 H new ATOM 0 HE1 PHE A 122 97.823 -2.690 2.439 1.00 0.00 H new ATOM 0 HE2 PHE A 122 99.141 -6.084 0.220 1.00 0.00 H new ATOM 0 HZ PHE A 122 99.222 -4.709 2.264 1.00 0.00 H new ATOM 1965 N VAL A 123 98.874 -1.924 -2.249 1.00 0.00 N ATOM 1966 CA VAL A 123 100.112 -1.431 -1.661 1.00 0.00 C ATOM 1967 C VAL A 123 100.331 0.043 -1.992 1.00 0.00 C ATOM 1968 O VAL A 123 100.821 0.809 -1.163 1.00 0.00 O ATOM 1969 CB VAL A 123 101.344 -2.259 -2.092 1.00 0.00 C ATOM 1970 CG1 VAL A 123 101.714 -2.011 -3.546 1.00 0.00 C ATOM 1971 CG2 VAL A 123 102.523 -1.947 -1.188 1.00 0.00 C ATOM 0 H VAL A 123 98.999 -2.627 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 123 100.003 -1.541 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 123 101.084 -3.313 -1.997 1.00 0.00 H new ATOM 0 HG11 VAL A 123 102.585 -2.612 -3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 123 100.877 -2.287 -4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 123 101.946 -0.955 -3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 123 103.386 -2.535 -1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 123 102.763 -0.886 -1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 123 102.267 -2.195 -0.158 1.00 0.00 H new ATOM 1981 N ASN A 124 99.970 0.436 -3.210 1.00 0.00 N ATOM 1982 CA ASN A 124 100.136 1.817 -3.648 1.00 0.00 C ATOM 1983 C ASN A 124 99.419 2.782 -2.711 1.00 0.00 C ATOM 1984 O ASN A 124 99.941 3.850 -2.388 1.00 0.00 O ATOM 1985 CB ASN A 124 99.604 1.988 -5.072 1.00 0.00 C ATOM 1986 CG ASN A 124 98.523 3.047 -5.161 1.00 0.00 C ATOM 1987 OD1 ASN A 124 97.398 2.842 -4.708 1.00 0.00 O ATOM 1988 ND2 ASN A 124 98.862 4.189 -5.749 1.00 0.00 N ATOM 0 H ASN A 124 99.561 -0.182 -3.910 1.00 0.00 H new ATOM 0 HA ASN A 124 101.201 2.048 -3.630 1.00 0.00 H new ATOM 0 HB2 ASN A 124 100.427 2.256 -5.735 1.00 0.00 H new ATOM 0 HB3 ASN A 124 99.207 1.036 -5.425 1.00 0.00 H new ATOM 0 HD21 ASN A 124 98.177 4.939 -5.839 1.00 0.00 H new ATOM 0 HD22 ASN A 124 99.807 4.316 -6.111 1.00 0.00 H new ATOM 1995 N GLY A 125 98.224 2.403 -2.277 1.00 0.00 N ATOM 1996 CA GLY A 125 97.459 3.258 -1.390 1.00 0.00 C ATOM 1997 C GLY A 125 98.182 3.531 -0.088 1.00 0.00 C ATOM 1998 O GLY A 125 98.089 4.630 0.458 1.00 0.00 O ATOM 0 H GLY A 125 97.772 1.522 -2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 125 97.250 4.203 -1.891 1.00 0.00 H new ATOM 0 HA3 GLY A 125 96.498 2.790 -1.178 1.00 0.00 H new ATOM 2002 N VAL A 126 98.920 2.542 0.401 1.00 0.00 N ATOM 2003 CA VAL A 126 99.669 2.708 1.639 1.00 0.00 C ATOM 2004 C VAL A 126 100.649 3.861 1.510 1.00 0.00 C ATOM 2005 O VAL A 126 100.833 4.644 2.443 1.00 0.00 O ATOM 2006 CB VAL A 126 100.461 1.442 2.016 1.00 0.00 C ATOM 2007 CG1 VAL A 126 99.777 0.190 1.494 1.00 0.00 C ATOM 2008 CG2 VAL A 126 101.892 1.543 1.499 1.00 0.00 C ATOM 0 H VAL A 126 99.015 1.625 -0.036 1.00 0.00 H new ATOM 0 HA VAL A 126 98.937 2.908 2.422 1.00 0.00 H new ATOM 0 HB VAL A 126 100.492 1.367 3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 126 100.359 -0.687 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 126 98.778 0.115 1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 126 99.702 0.242 0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 126 102.442 0.642 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 126 101.880 1.647 0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 126 102.378 2.413 1.941 1.00 0.00 H new ATOM 2018 N LEU A 127 101.279 3.956 0.345 1.00 0.00 N ATOM 2019 CA LEU A 127 102.247 5.009 0.090 1.00 0.00 C ATOM 2020 C LEU A 127 101.563 6.365 0.007 1.00 0.00 C ATOM 2021 O LEU A 127 102.149 7.384 0.366 1.00 0.00 O ATOM 2022 CB LEU A 127 103.019 4.727 -1.197 1.00 0.00 C ATOM 2023 CG LEU A 127 104.515 4.475 -1.006 1.00 0.00 C ATOM 2024 CD1 LEU A 127 105.245 4.564 -2.336 1.00 0.00 C ATOM 2025 CD2 LEU A 127 105.099 5.468 -0.012 1.00 0.00 C ATOM 0 H LEU A 127 101.135 3.316 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 127 102.951 5.030 0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 127 102.578 3.858 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 127 102.891 5.572 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 127 104.646 3.469 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 127 106.308 4.382 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 127 104.845 3.816 -3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 127 105.106 5.558 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 127 106.164 5.275 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 127 104.955 6.482 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 127 104.596 5.359 0.949 1.00 0.00 H new ATOM 2037 N ASP A 128 100.319 6.375 -0.461 1.00 0.00 N ATOM 2038 CA ASP A 128 99.573 7.620 -0.576 1.00 0.00 C ATOM 2039 C ASP A 128 99.413 8.256 0.796 1.00 0.00 C ATOM 2040 O ASP A 128 99.636 9.452 0.968 1.00 0.00 O ATOM 2041 CB ASP A 128 98.201 7.365 -1.202 1.00 0.00 C ATOM 2042 CG ASP A 128 97.772 8.486 -2.130 1.00 0.00 C ATOM 2043 OD1 ASP A 128 98.163 9.645 -1.880 1.00 0.00 O ATOM 2044 OD2 ASP A 128 97.046 8.204 -3.106 1.00 0.00 O ATOM 0 H ASP A 128 99.812 5.543 -0.764 1.00 0.00 H new ATOM 0 HA ASP A 128 100.126 8.302 -1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 128 98.226 6.427 -1.757 1.00 0.00 H new ATOM 0 HB3 ASP A 128 97.460 7.248 -0.411 1.00 0.00 H new ATOM 2049 N LYS A 129 99.039 7.440 1.774 1.00 0.00 N ATOM 2050 CA LYS A 129 98.869 7.912 3.140 1.00 0.00 C ATOM 2051 C LYS A 129 100.220 8.045 3.844 1.00 0.00 C ATOM 2052 O LYS A 129 100.463 9.011 4.568 1.00 0.00 O ATOM 2053 CB LYS A 129 97.965 6.958 3.923 1.00 0.00 C ATOM 2054 CG LYS A 129 96.759 6.477 3.134 1.00 0.00 C ATOM 2055 CD LYS A 129 95.636 7.501 3.153 1.00 0.00 C ATOM 2056 CE LYS A 129 96.003 8.745 2.360 1.00 0.00 C ATOM 2057 NZ LYS A 129 94.972 9.075 1.336 1.00 0.00 N ATOM 0 H LYS A 129 98.848 6.446 1.645 1.00 0.00 H new ATOM 0 HA LYS A 129 98.401 8.896 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 129 98.550 6.094 4.239 1.00 0.00 H new ATOM 0 HB3 LYS A 129 97.620 7.458 4.828 1.00 0.00 H new ATOM 0 HG2 LYS A 129 97.053 6.277 2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 129 96.402 5.536 3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 129 94.731 7.058 2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 129 95.412 7.778 4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 129 96.121 9.588 3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 129 96.965 8.593 1.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 95.259 9.929 0.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 94.877 8.281 0.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 94.059 9.245 1.805 1.00 0.00 H new ATOM 2071 N ALA A 130 101.085 7.052 3.639 1.00 0.00 N ATOM 2072 CA ALA A 130 102.404 7.033 4.266 1.00 0.00 C ATOM 2073 C ALA A 130 103.360 8.064 3.669 1.00 0.00 C ATOM 2074 O ALA A 130 104.246 8.568 4.359 1.00 0.00 O ATOM 2075 CB ALA A 130 103.004 5.642 4.149 1.00 0.00 C ATOM 0 H ALA A 130 100.894 6.248 3.041 1.00 0.00 H new ATOM 0 HA ALA A 130 102.267 7.299 5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 130 103.988 5.630 4.617 1.00 0.00 H new ATOM 0 HB2 ALA A 130 102.355 4.923 4.649 1.00 0.00 H new ATOM 0 HB3 ALA A 130 103.100 5.374 3.097 1.00 0.00 H new ATOM 2081 N ALA A 131 103.199 8.357 2.385 1.00 0.00 N ATOM 2082 CA ALA A 131 104.075 9.308 1.705 1.00 0.00 C ATOM 2083 C ALA A 131 104.050 10.683 2.362 1.00 0.00 C ATOM 2084 O ALA A 131 105.078 11.186 2.816 1.00 0.00 O ATOM 2085 CB ALA A 131 103.696 9.415 0.237 1.00 0.00 C ATOM 0 H ALA A 131 102.473 7.953 1.793 1.00 0.00 H new ATOM 0 HA ALA A 131 105.094 8.929 1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 131 104.356 10.127 -0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 131 103.795 8.438 -0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 131 102.665 9.757 0.152 1.00 0.00 H new ATOM 2091 N PRO A 132 102.871 11.313 2.409 1.00 0.00 N ATOM 2092 CA PRO A 132 102.698 12.646 3.000 1.00 0.00 C ATOM 2093 C PRO A 132 103.035 12.689 4.488 1.00 0.00 C ATOM 2094 O PRO A 132 103.068 13.762 5.092 1.00 0.00 O ATOM 2095 CB PRO A 132 101.210 12.942 2.778 1.00 0.00 C ATOM 2096 CG PRO A 132 100.581 11.606 2.582 1.00 0.00 C ATOM 2097 CD PRO A 132 101.612 10.778 1.879 1.00 0.00 C ATOM 0 HA PRO A 132 103.369 13.375 2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 132 100.778 13.461 3.634 1.00 0.00 H new ATOM 0 HB3 PRO A 132 101.059 13.581 1.908 1.00 0.00 H new ATOM 0 HG2 PRO A 132 100.303 11.159 3.537 1.00 0.00 H new ATOM 0 HG3 PRO A 132 99.670 11.684 1.989 1.00 0.00 H new ATOM 0 HD2 PRO A 132 101.498 9.717 2.100 1.00 0.00 H new ATOM 0 HD3 PRO A 132 101.550 10.887 0.796 1.00 0.00 H new ATOM 2105 N VAL A 133 103.288 11.526 5.079 1.00 0.00 N ATOM 2106 CA VAL A 133 103.623 11.451 6.495 1.00 0.00 C ATOM 2107 C VAL A 133 105.028 11.985 6.757 1.00 0.00 C ATOM 2108 O VAL A 133 105.205 12.951 7.501 1.00 0.00 O ATOM 2109 CB VAL A 133 103.524 10.009 7.022 1.00 0.00 C ATOM 2110 CG1 VAL A 133 104.064 9.924 8.439 1.00 0.00 C ATOM 2111 CG2 VAL A 133 102.087 9.514 6.959 1.00 0.00 C ATOM 0 H VAL A 133 103.267 10.625 4.601 1.00 0.00 H new ATOM 0 HA VAL A 133 102.899 12.070 7.024 1.00 0.00 H new ATOM 0 HB VAL A 133 104.132 9.365 6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 133 103.987 8.897 8.797 1.00 0.00 H new ATOM 0 HG12 VAL A 133 105.109 10.234 8.449 1.00 0.00 H new ATOM 0 HG13 VAL A 133 103.485 10.579 9.089 1.00 0.00 H new ATOM 0 HG21 VAL A 133 102.037 8.492 7.336 1.00 0.00 H new ATOM 0 HG22 VAL A 133 101.453 10.157 7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 133 101.739 9.537 5.926 1.00 0.00 H new ATOM 2121 N ILE A 134 106.025 11.357 6.141 1.00 0.00 N ATOM 2122 CA ILE A 134 107.408 11.772 6.306 1.00 0.00 C ATOM 2123 C ILE A 134 107.612 13.201 5.813 1.00 0.00 C ATOM 2124 O ILE A 134 108.322 13.989 6.437 1.00 0.00 O ATOM 2125 CB ILE A 134 108.360 10.836 5.539 1.00 0.00 C ATOM 2126 CG1 ILE A 134 109.386 10.224 6.488 1.00 0.00 C ATOM 2127 CG2 ILE A 134 109.057 11.593 4.419 1.00 0.00 C ATOM 2128 CD1 ILE A 134 109.268 8.726 6.635 1.00 0.00 C ATOM 0 H ILE A 134 105.897 10.557 5.522 1.00 0.00 H new ATOM 0 HA ILE A 134 107.635 11.723 7.371 1.00 0.00 H new ATOM 0 HB ILE A 134 107.773 10.029 5.100 1.00 0.00 H new ATOM 0 HG12 ILE A 134 110.387 10.466 6.130 1.00 0.00 H new ATOM 0 HG13 ILE A 134 109.278 10.685 7.470 1.00 0.00 H new ATOM 0 HG21 ILE A 134 109.727 10.918 3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 134 108.312 11.987 3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 134 109.632 12.417 4.840 1.00 0.00 H new ATOM 0 HD11 ILE A 134 110.031 8.367 7.325 1.00 0.00 H new ATOM 0 HD12 ILE A 134 108.281 8.475 7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 134 109.407 8.253 5.663 1.00 0.00 H new ATOM 2140 N ARG A 135 106.982 13.529 4.688 1.00 0.00 N ATOM 2141 CA ARG A 135 107.090 14.859 4.110 1.00 0.00 C ATOM 2142 C ARG A 135 106.444 15.900 5.017 1.00 0.00 C ATOM 2143 O ARG A 135 105.754 15.564 5.980 1.00 0.00 O ATOM 2144 CB ARG A 135 106.428 14.891 2.730 1.00 0.00 C ATOM 2145 CG ARG A 135 107.414 15.036 1.582 1.00 0.00 C ATOM 2146 CD ARG A 135 106.780 15.738 0.391 1.00 0.00 C ATOM 2147 NE ARG A 135 106.840 17.192 0.517 1.00 0.00 N ATOM 2148 CZ ARG A 135 107.934 17.908 0.276 1.00 0.00 C ATOM 2149 NH1 ARG A 135 109.052 17.305 -0.102 1.00 0.00 N ATOM 2150 NH2 ARG A 135 107.909 19.226 0.413 1.00 0.00 N ATOM 0 H ARG A 135 106.391 12.888 4.160 1.00 0.00 H new ATOM 0 HA ARG A 135 108.148 15.099 4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 135 105.854 13.975 2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 135 105.720 15.719 2.696 1.00 0.00 H new ATOM 0 HG2 ARG A 135 108.285 15.600 1.917 1.00 0.00 H new ATOM 0 HG3 ARG A 135 107.769 14.051 1.279 1.00 0.00 H new ATOM 0 HD2 ARG A 135 107.289 15.432 -0.523 1.00 0.00 H new ATOM 0 HD3 ARG A 135 105.740 15.425 0.297 1.00 0.00 H new ATOM 0 HE ARG A 135 105.995 17.686 0.806 1.00 0.00 H new ATOM 0 HH11 ARG A 135 109.074 16.291 -0.208 1.00 0.00 H new ATOM 0 HH12 ARG A 135 109.891 17.855 -0.287 1.00 0.00 H new ATOM 0 HH21 ARG A 135 107.050 19.692 0.704 1.00 0.00 H new ATOM 0 HH22 ARG A 135 108.749 19.774 0.228 1.00 0.00 H new