USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=22 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 90 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 94 LYS NZ :NH3+ 139:sc= -0.17 (180deg=-0.93) USER MOD Set 2.1: A 21 GLN : amide:sc= 0 X(o=-1.7,f=-1.7) USER MOD Set 2.2: A 79 GLN : amide:sc= -1.68 X(o=-1.7,f=-1.8!) USER MOD Single : A 12 CYS SG : rot 150:sc= -0.477 USER MOD Single : A 15 GLN : amide:sc= -3.48! C(o=-3.5!,f=-4.8!) 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 64:sc= 0.524 USER MOD Single : A 24 GLN : amide:sc= -0.0258 K(o=-0.026,f=-1.7!) USER MOD Single : A 25 ASN : amide:sc= -0.833 X(o=-0.83,f=-0.94) USER MOD Single : A 32 TYR OH : rot -36:sc= 0.92 USER MOD Single : A 33 GLN : amide:sc= -0.0209 K(o=-0.021,f=-1.2!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -75:sc= 0.04 USER MOD Single : A 58 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.4!) USER MOD Single : A 59 THR OG1 : rot -64:sc= 0.932 USER MOD Single : A 61 TYR OH : rot 110:sc= -5! USER MOD Single : A 66 MET CE :methyl 170:sc= -7.31! (180deg=-7.55!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot -15:sc= -0.296 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 163:sc= -1.78! (180deg=-2.19!) USER MOD Single : A 93 SER OG : rot -155:sc= -3.67! USER MOD Single : A 96 SER OG : rot 180:sc= 0 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= -0.0288 K(o=-0.029,f=-1.5!) USER MOD Single : A 112 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0557) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0.0899 USER MOD Single : A 120 HIS : no HE2:sc= -2.28! C(o=-2.3!,f=-5.5!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= -2.19! C(o=-2.2!,f=-4.8!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 124 N ARG A 8 120.014 0.102 -8.720 1.00 0.00 N ATOM 125 CA ARG A 8 118.792 -0.551 -8.266 1.00 0.00 C ATOM 126 C ARG A 8 118.830 -0.803 -6.762 1.00 0.00 C ATOM 127 O ARG A 8 117.845 -1.258 -6.179 1.00 0.00 O ATOM 128 CB ARG A 8 118.589 -1.873 -9.009 1.00 0.00 C ATOM 129 CG ARG A 8 118.718 -3.097 -8.119 1.00 0.00 C ATOM 130 CD ARG A 8 118.550 -4.384 -8.911 1.00 0.00 C ATOM 131 NE ARG A 8 119.460 -4.448 -10.051 1.00 0.00 N ATOM 132 CZ ARG A 8 119.329 -5.315 -11.050 1.00 0.00 C ATOM 133 NH1 ARG A 8 118.330 -6.186 -11.049 1.00 0.00 N ATOM 134 NH2 ARG A 8 120.198 -5.311 -12.052 1.00 0.00 N ATOM 0 HA ARG A 8 117.956 0.114 -8.482 1.00 0.00 H new ATOM 0 HB2 ARG A 8 117.602 -1.873 -9.471 1.00 0.00 H new ATOM 0 HB3 ARG A 8 119.319 -1.942 -9.816 1.00 0.00 H new ATOM 0 HG2 ARG A 8 119.693 -3.093 -7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 8 117.968 -3.054 -7.329 1.00 0.00 H new ATOM 0 HD2 ARG A 8 118.728 -5.238 -8.257 1.00 0.00 H new ATOM 0 HD3 ARG A 8 117.521 -4.461 -9.263 1.00 0.00 H new ATOM 0 HE ARG A 8 120.240 -3.791 -10.083 1.00 0.00 H new ATOM 0 HH11 ARG A 8 117.659 -6.192 -10.280 1.00 0.00 H new ATOM 0 HH12 ARG A 8 118.232 -6.850 -11.817 1.00 0.00 H new ATOM 0 HH21 ARG A 8 120.968 -4.642 -12.057 1.00 0.00 H new ATOM 0 HH22 ARG A 8 120.096 -5.977 -12.818 1.00 0.00 H new ATOM 148 N ALA A 9 119.975 -0.503 -6.143 1.00 0.00 N ATOM 149 CA ALA A 9 120.158 -0.692 -4.705 1.00 0.00 C ATOM 150 C ALA A 9 118.836 -0.602 -3.953 1.00 0.00 C ATOM 151 O ALA A 9 118.329 -1.605 -3.450 1.00 0.00 O ATOM 152 CB ALA A 9 121.144 0.334 -4.165 1.00 0.00 C ATOM 0 H ALA A 9 120.793 -0.126 -6.621 1.00 0.00 H new ATOM 0 HA ALA A 9 120.559 -1.693 -4.548 1.00 0.00 H new ATOM 0 HB1 ALA A 9 121.274 0.185 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 9 122.104 0.215 -4.667 1.00 0.00 H new ATOM 0 HB3 ALA A 9 120.761 1.338 -4.348 1.00 0.00 H new ATOM 158 N ARG A 10 118.282 0.603 -3.885 1.00 0.00 N ATOM 159 CA ARG A 10 117.019 0.826 -3.192 1.00 0.00 C ATOM 160 C ARG A 10 116.083 -0.367 -3.359 1.00 0.00 C ATOM 161 O ARG A 10 115.721 -1.027 -2.384 1.00 0.00 O ATOM 162 CB ARG A 10 116.343 2.095 -3.717 1.00 0.00 C ATOM 163 CG ARG A 10 114.836 2.106 -3.521 1.00 0.00 C ATOM 164 CD ARG A 10 114.338 3.485 -3.117 1.00 0.00 C ATOM 165 NE ARG A 10 112.880 3.557 -3.104 1.00 0.00 N ATOM 166 CZ ARG A 10 112.139 3.672 -4.203 1.00 0.00 C ATOM 167 NH1 ARG A 10 112.721 3.728 -5.393 1.00 0.00 N ATOM 168 NH2 ARG A 10 110.818 3.733 -4.111 1.00 0.00 N ATOM 0 H ARG A 10 118.688 1.441 -4.302 1.00 0.00 H new ATOM 0 HA ARG A 10 117.235 0.947 -2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 10 116.773 2.961 -3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 10 116.564 2.202 -4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 10 114.345 1.797 -4.444 1.00 0.00 H new ATOM 0 HG3 ARG A 10 114.562 1.380 -2.755 1.00 0.00 H new ATOM 0 HD2 ARG A 10 114.722 3.734 -2.128 1.00 0.00 H new ATOM 0 HD3 ARG A 10 114.732 4.230 -3.809 1.00 0.00 H new ATOM 0 HE ARG A 10 112.403 3.517 -2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 10 113.737 3.683 -5.466 1.00 0.00 H new ATOM 0 HH12 ARG A 10 112.152 3.816 -6.235 1.00 0.00 H new ATOM 0 HH21 ARG A 10 110.368 3.692 -3.197 1.00 0.00 H new ATOM 0 HH22 ARG A 10 110.252 3.821 -4.955 1.00 0.00 H new ATOM 182 N GLU A 11 115.695 -0.637 -4.599 1.00 0.00 N ATOM 183 CA GLU A 11 114.798 -1.747 -4.896 1.00 0.00 C ATOM 184 C GLU A 11 115.373 -3.070 -4.397 1.00 0.00 C ATOM 185 O GLU A 11 114.675 -3.859 -3.771 1.00 0.00 O ATOM 186 CB GLU A 11 114.540 -1.827 -6.402 1.00 0.00 C ATOM 187 CG GLU A 11 113.565 -0.777 -6.908 1.00 0.00 C ATOM 188 CD GLU A 11 114.065 -0.070 -8.152 1.00 0.00 C ATOM 189 OE1 GLU A 11 114.479 -0.765 -9.105 1.00 0.00 O ATOM 190 OE2 GLU A 11 114.044 1.179 -8.175 1.00 0.00 O ATOM 0 H GLU A 11 115.988 -0.102 -5.416 1.00 0.00 H new ATOM 0 HA GLU A 11 113.856 -1.567 -4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 11 115.487 -1.717 -6.931 1.00 0.00 H new ATOM 0 HB3 GLU A 11 114.153 -2.817 -6.644 1.00 0.00 H new ATOM 0 HG2 GLU A 11 112.607 -1.250 -7.123 1.00 0.00 H new ATOM 0 HG3 GLU A 11 113.388 -0.042 -6.123 1.00 0.00 H new ATOM 197 N CYS A 12 116.647 -3.301 -4.685 1.00 0.00 N ATOM 198 CA CYS A 12 117.324 -4.529 -4.275 1.00 0.00 C ATOM 199 C CYS A 12 117.360 -4.674 -2.755 1.00 0.00 C ATOM 200 O CYS A 12 117.405 -5.787 -2.227 1.00 0.00 O ATOM 201 CB CYS A 12 118.749 -4.555 -4.830 1.00 0.00 C ATOM 202 SG CYS A 12 119.479 -6.208 -4.909 1.00 0.00 S ATOM 0 H CYS A 12 117.237 -2.651 -5.204 1.00 0.00 H new ATOM 0 HA CYS A 12 116.758 -5.368 -4.680 1.00 0.00 H new ATOM 0 HB2 CYS A 12 118.746 -4.122 -5.830 1.00 0.00 H new ATOM 0 HB3 CYS A 12 119.381 -3.919 -4.210 1.00 0.00 H new ATOM 0 HG CYS A 12 120.322 -6.263 -5.897 1.00 0.00 H new ATOM 208 N ALA A 13 117.364 -3.544 -2.061 1.00 0.00 N ATOM 209 CA ALA A 13 117.435 -3.534 -0.605 1.00 0.00 C ATOM 210 C ALA A 13 116.277 -4.299 0.037 1.00 0.00 C ATOM 211 O ALA A 13 116.432 -4.896 1.101 1.00 0.00 O ATOM 212 CB ALA A 13 117.449 -2.098 -0.111 1.00 0.00 C ATOM 0 H ALA A 13 117.319 -2.617 -2.485 1.00 0.00 H new ATOM 0 HA ALA A 13 118.355 -4.040 -0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 13 117.502 -2.088 0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 13 118.316 -1.581 -0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 13 116.539 -1.593 -0.434 1.00 0.00 H new ATOM 218 N VAL A 14 115.119 -4.302 -0.598 1.00 0.00 N ATOM 219 CA VAL A 14 113.984 -5.017 -0.032 1.00 0.00 C ATOM 220 C VAL A 14 114.341 -6.481 0.199 1.00 0.00 C ATOM 221 O VAL A 14 114.034 -7.045 1.249 1.00 0.00 O ATOM 222 CB VAL A 14 112.756 -4.939 -0.949 1.00 0.00 C ATOM 223 CG1 VAL A 14 113.134 -5.339 -2.361 1.00 0.00 C ATOM 224 CG2 VAL A 14 111.632 -5.817 -0.418 1.00 0.00 C ATOM 0 H VAL A 14 114.939 -3.831 -1.484 1.00 0.00 H new ATOM 0 HA VAL A 14 113.741 -4.541 0.918 1.00 0.00 H new ATOM 0 HB VAL A 14 112.397 -3.910 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 14 112.255 -5.280 -3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 14 113.904 -4.665 -2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 14 113.515 -6.360 -2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 14 110.771 -5.747 -1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 14 111.971 -6.852 -0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 14 111.348 -5.481 0.580 1.00 0.00 H new ATOM 234 N GLN A 15 115.017 -7.081 -0.776 1.00 0.00 N ATOM 235 CA GLN A 15 115.434 -8.471 -0.669 1.00 0.00 C ATOM 236 C GLN A 15 116.298 -8.658 0.565 1.00 0.00 C ATOM 237 O GLN A 15 116.153 -9.633 1.301 1.00 0.00 O ATOM 238 CB GLN A 15 116.208 -8.899 -1.918 1.00 0.00 C ATOM 239 CG GLN A 15 115.440 -8.695 -3.214 1.00 0.00 C ATOM 240 CD GLN A 15 113.947 -8.902 -3.048 1.00 0.00 C ATOM 241 OE1 GLN A 15 113.509 -9.754 -2.275 1.00 0.00 O ATOM 242 NE2 GLN A 15 113.158 -8.121 -3.777 1.00 0.00 N ATOM 0 H GLN A 15 115.287 -6.625 -1.648 1.00 0.00 H new ATOM 0 HA GLN A 15 114.544 -9.095 -0.582 1.00 0.00 H new ATOM 0 HB2 GLN A 15 117.141 -8.337 -1.967 1.00 0.00 H new ATOM 0 HB3 GLN A 15 116.475 -9.952 -1.826 1.00 0.00 H new ATOM 0 HG2 GLN A 15 115.624 -7.687 -3.586 1.00 0.00 H new ATOM 0 HG3 GLN A 15 115.817 -9.386 -3.968 1.00 0.00 H new ATOM 0 HE21 GLN A 15 113.566 -7.428 -4.405 1.00 0.00 H new ATOM 0 HE22 GLN A 15 112.145 -8.214 -3.709 1.00 0.00 H new ATOM 251 N ALA A 16 117.182 -7.696 0.799 1.00 0.00 N ATOM 252 CA ALA A 16 118.053 -7.735 1.958 1.00 0.00 C ATOM 253 C ALA A 16 117.224 -7.602 3.221 1.00 0.00 C ATOM 254 O ALA A 16 117.477 -8.277 4.218 1.00 0.00 O ATOM 255 CB ALA A 16 119.091 -6.637 1.870 1.00 0.00 C ATOM 0 H ALA A 16 117.312 -6.881 0.199 1.00 0.00 H new ATOM 0 HA ALA A 16 118.578 -8.690 1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 16 119.738 -6.677 2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 16 119.690 -6.774 0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 16 118.593 -5.668 1.831 1.00 0.00 H new ATOM 261 N LEU A 17 116.203 -6.750 3.161 1.00 0.00 N ATOM 262 CA LEU A 17 115.317 -6.572 4.295 1.00 0.00 C ATOM 263 C LEU A 17 114.652 -7.903 4.603 1.00 0.00 C ATOM 264 O LEU A 17 114.350 -8.213 5.756 1.00 0.00 O ATOM 265 CB LEU A 17 114.263 -5.503 3.996 1.00 0.00 C ATOM 266 CG LEU A 17 114.531 -4.137 4.629 1.00 0.00 C ATOM 267 CD1 LEU A 17 113.928 -3.028 3.780 1.00 0.00 C ATOM 268 CD2 LEU A 17 113.976 -4.087 6.044 1.00 0.00 C ATOM 0 H LEU A 17 115.975 -6.180 2.346 1.00 0.00 H new ATOM 0 HA LEU A 17 115.891 -6.237 5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 17 114.190 -5.378 2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 17 113.294 -5.863 4.341 1.00 0.00 H new ATOM 0 HG LEU A 17 115.609 -3.986 4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 17 114.129 -2.063 4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 17 114.372 -3.050 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 17 112.851 -3.176 3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 17 114.176 -3.108 6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 17 112.900 -4.260 6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 17 114.454 -4.857 6.650 1.00 0.00 H new ATOM 280 N TYR A 18 114.452 -8.698 3.554 1.00 0.00 N ATOM 281 CA TYR A 18 113.850 -10.017 3.698 1.00 0.00 C ATOM 282 C TYR A 18 114.822 -10.964 4.393 1.00 0.00 C ATOM 283 O TYR A 18 114.425 -11.801 5.204 1.00 0.00 O ATOM 284 CB TYR A 18 113.461 -10.577 2.328 1.00 0.00 C ATOM 285 CG TYR A 18 112.780 -11.925 2.393 1.00 0.00 C ATOM 286 CD1 TYR A 18 111.825 -12.196 3.364 1.00 0.00 C ATOM 287 CD2 TYR A 18 113.093 -12.926 1.482 1.00 0.00 C ATOM 288 CE1 TYR A 18 111.200 -13.428 3.426 1.00 0.00 C ATOM 289 CE2 TYR A 18 112.473 -14.161 1.537 1.00 0.00 C ATOM 290 CZ TYR A 18 111.527 -14.406 2.511 1.00 0.00 C ATOM 291 OH TYR A 18 110.907 -15.633 2.569 1.00 0.00 O ATOM 0 H TYR A 18 114.699 -8.450 2.596 1.00 0.00 H new ATOM 0 HA TYR A 18 112.950 -9.925 4.306 1.00 0.00 H new ATOM 0 HB2 TYR A 18 112.798 -9.869 1.831 1.00 0.00 H new ATOM 0 HB3 TYR A 18 114.357 -10.662 1.712 1.00 0.00 H new ATOM 0 HD1 TYR A 18 111.566 -11.432 4.082 1.00 0.00 H new ATOM 0 HD2 TYR A 18 113.833 -12.737 0.718 1.00 0.00 H new ATOM 0 HE1 TYR A 18 110.459 -13.623 4.187 1.00 0.00 H new ATOM 0 HE2 TYR A 18 112.728 -14.929 0.822 1.00 0.00 H new ATOM 0 HH TYR A 18 111.250 -16.207 1.853 1.00 0.00 H new ATOM 301 N SER A 19 116.105 -10.816 4.070 1.00 0.00 N ATOM 302 CA SER A 19 117.153 -11.644 4.657 1.00 0.00 C ATOM 303 C SER A 19 117.322 -11.332 6.140 1.00 0.00 C ATOM 304 O SER A 19 117.667 -12.204 6.935 1.00 0.00 O ATOM 305 CB SER A 19 118.477 -11.425 3.924 1.00 0.00 C ATOM 306 OG SER A 19 118.702 -12.439 2.959 1.00 0.00 O ATOM 0 H SER A 19 116.444 -10.125 3.400 1.00 0.00 H new ATOM 0 HA SER A 19 116.858 -12.688 4.553 1.00 0.00 H new ATOM 0 HB2 SER A 19 118.469 -10.450 3.436 1.00 0.00 H new ATOM 0 HB3 SER A 19 119.296 -11.415 4.643 1.00 0.00 H new ATOM 0 HG SER A 19 119.554 -12.274 2.504 1.00 0.00 H new ATOM 312 N TRP A 20 117.078 -10.078 6.501 1.00 0.00 N ATOM 313 CA TRP A 20 117.202 -9.635 7.885 1.00 0.00 C ATOM 314 C TRP A 20 116.258 -10.416 8.792 1.00 0.00 C ATOM 315 O TRP A 20 116.649 -10.883 9.861 1.00 0.00 O ATOM 316 CB TRP A 20 116.878 -8.145 7.977 1.00 0.00 C ATOM 317 CG TRP A 20 117.495 -7.464 9.160 1.00 0.00 C ATOM 318 CD1 TRP A 20 118.544 -7.907 9.910 1.00 0.00 C ATOM 319 CD2 TRP A 20 117.094 -6.211 9.728 1.00 0.00 C ATOM 320 NE1 TRP A 20 118.823 -7.005 10.909 1.00 0.00 N ATOM 321 CE2 TRP A 20 117.946 -5.955 10.818 1.00 0.00 C ATOM 322 CE3 TRP A 20 116.097 -5.281 9.418 1.00 0.00 C ATOM 323 CZ2 TRP A 20 117.830 -4.804 11.598 1.00 0.00 C ATOM 324 CZ3 TRP A 20 115.983 -4.143 10.193 1.00 0.00 C ATOM 325 CH2 TRP A 20 116.846 -3.912 11.271 1.00 0.00 C ATOM 0 H TRP A 20 116.792 -9.346 5.851 1.00 0.00 H new ATOM 0 HA TRP A 20 118.226 -9.813 8.213 1.00 0.00 H new ATOM 0 HB2 TRP A 20 117.219 -7.652 7.067 1.00 0.00 H new ATOM 0 HB3 TRP A 20 115.796 -8.020 8.021 1.00 0.00 H new ATOM 0 HD1 TRP A 20 119.077 -8.831 9.744 1.00 0.00 H new ATOM 0 HE1 TRP A 20 119.562 -7.101 11.605 1.00 0.00 H new ATOM 0 HE3 TRP A 20 115.428 -5.449 8.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 118.494 -4.624 12.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 115.215 -3.419 9.963 1.00 0.00 H new ATOM 0 HH2 TRP A 20 116.732 -3.011 11.856 1.00 0.00 H new ATOM 336 N GLN A 21 115.012 -10.551 8.355 1.00 0.00 N ATOM 337 CA GLN A 21 114.005 -11.272 9.125 1.00 0.00 C ATOM 338 C GLN A 21 114.421 -12.722 9.363 1.00 0.00 C ATOM 339 O GLN A 21 114.384 -13.210 10.493 1.00 0.00 O ATOM 340 CB GLN A 21 112.658 -11.231 8.400 1.00 0.00 C ATOM 341 CG GLN A 21 111.509 -10.764 9.279 1.00 0.00 C ATOM 342 CD GLN A 21 110.982 -11.861 10.183 1.00 0.00 C ATOM 343 OE1 GLN A 21 111.433 -12.016 11.318 1.00 0.00 O ATOM 344 NE2 GLN A 21 110.023 -12.631 9.682 1.00 0.00 N ATOM 0 H GLN A 21 114.674 -10.171 7.471 1.00 0.00 H new ATOM 0 HA GLN A 21 113.910 -10.782 10.094 1.00 0.00 H new ATOM 0 HB2 GLN A 21 112.738 -10.568 7.538 1.00 0.00 H new ATOM 0 HB3 GLN A 21 112.430 -12.226 8.017 1.00 0.00 H new ATOM 0 HG2 GLN A 21 111.842 -9.924 9.889 1.00 0.00 H new ATOM 0 HG3 GLN A 21 110.699 -10.398 8.648 1.00 0.00 H new ATOM 0 HE21 GLN A 21 109.679 -12.467 8.736 1.00 0.00 H new ATOM 0 HE22 GLN A 21 109.630 -13.387 10.243 1.00 0.00 H new ATOM 353 N LEU A 22 114.811 -13.408 8.293 1.00 0.00 N ATOM 354 CA LEU A 22 115.225 -14.806 8.389 1.00 0.00 C ATOM 355 C LEU A 22 116.649 -14.935 8.922 1.00 0.00 C ATOM 356 O LEU A 22 116.911 -15.713 9.839 1.00 0.00 O ATOM 357 CB LEU A 22 115.121 -15.481 7.020 1.00 0.00 C ATOM 358 CG LEU A 22 113.709 -15.559 6.441 1.00 0.00 C ATOM 359 CD1 LEU A 22 113.717 -16.294 5.109 1.00 0.00 C ATOM 360 CD2 LEU A 22 112.768 -16.242 7.422 1.00 0.00 C ATOM 0 H LEU A 22 114.849 -13.020 7.350 1.00 0.00 H new ATOM 0 HA LEU A 22 114.556 -15.302 9.092 1.00 0.00 H new ATOM 0 HB2 LEU A 22 115.756 -14.942 6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 22 115.521 -16.492 7.099 1.00 0.00 H new ATOM 0 HG LEU A 22 113.351 -14.544 6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 22 112.703 -16.339 4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 22 114.359 -15.764 4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 22 114.095 -17.306 5.254 1.00 0.00 H new ATOM 0 HD21 LEU A 22 111.767 -16.289 6.993 1.00 0.00 H new ATOM 0 HD22 LEU A 22 113.124 -17.252 7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 22 112.738 -15.675 8.352 1.00 0.00 H new ATOM 372 N SER A 23 117.570 -14.176 8.335 1.00 0.00 N ATOM 373 CA SER A 23 118.970 -14.215 8.745 1.00 0.00 C ATOM 374 C SER A 23 119.158 -13.620 10.138 1.00 0.00 C ATOM 375 O SER A 23 119.812 -14.215 10.993 1.00 0.00 O ATOM 376 CB SER A 23 119.838 -13.461 7.736 1.00 0.00 C ATOM 377 OG SER A 23 119.428 -13.733 6.407 1.00 0.00 O ATOM 0 H SER A 23 117.372 -13.527 7.574 1.00 0.00 H new ATOM 0 HA SER A 23 119.279 -15.260 8.777 1.00 0.00 H new ATOM 0 HB2 SER A 23 119.776 -12.390 7.927 1.00 0.00 H new ATOM 0 HB3 SER A 23 120.882 -13.748 7.864 1.00 0.00 H new ATOM 0 HG SER A 23 118.518 -13.396 6.270 1.00 0.00 H new ATOM 383 N GLN A 24 118.581 -12.444 10.358 1.00 0.00 N ATOM 384 CA GLN A 24 118.688 -11.771 11.648 1.00 0.00 C ATOM 385 C GLN A 24 120.127 -11.350 11.930 1.00 0.00 C ATOM 386 O GLN A 24 120.452 -10.921 13.037 1.00 0.00 O ATOM 387 CB GLN A 24 118.185 -12.686 12.766 1.00 0.00 C ATOM 388 CG GLN A 24 116.670 -12.726 12.884 1.00 0.00 C ATOM 389 CD GLN A 24 116.182 -13.892 13.720 1.00 0.00 C ATOM 390 OE1 GLN A 24 116.922 -14.842 13.975 1.00 0.00 O ATOM 391 NE2 GLN A 24 114.927 -13.828 14.151 1.00 0.00 N ATOM 0 H GLN A 24 118.035 -11.937 9.661 1.00 0.00 H new ATOM 0 HA GLN A 24 118.069 -10.875 11.612 1.00 0.00 H new ATOM 0 HB2 GLN A 24 118.554 -13.696 12.591 1.00 0.00 H new ATOM 0 HB3 GLN A 24 118.606 -12.352 13.714 1.00 0.00 H new ATOM 0 HG2 GLN A 24 116.319 -11.794 13.327 1.00 0.00 H new ATOM 0 HG3 GLN A 24 116.233 -12.790 11.887 1.00 0.00 H new ATOM 0 HE21 GLN A 24 114.348 -13.022 13.917 1.00 0.00 H new ATOM 0 HE22 GLN A 24 114.543 -14.585 14.716 1.00 0.00 H new ATOM 400 N ASN A 25 120.988 -11.473 10.922 1.00 0.00 N ATOM 401 CA ASN A 25 122.392 -11.100 11.067 1.00 0.00 C ATOM 402 C ASN A 25 122.521 -9.647 11.512 1.00 0.00 C ATOM 403 O ASN A 25 121.622 -9.106 12.155 1.00 0.00 O ATOM 404 CB ASN A 25 123.137 -11.311 9.748 1.00 0.00 C ATOM 405 CG ASN A 25 124.574 -11.745 9.959 1.00 0.00 C ATOM 406 OD1 ASN A 25 124.847 -12.689 10.701 1.00 0.00 O ATOM 407 ND2 ASN A 25 125.502 -11.057 9.304 1.00 0.00 N ATOM 0 H ASN A 25 120.738 -11.827 9.999 1.00 0.00 H new ATOM 0 HA ASN A 25 122.837 -11.738 11.831 1.00 0.00 H new ATOM 0 HB2 ASN A 25 122.616 -12.064 9.156 1.00 0.00 H new ATOM 0 HB3 ASN A 25 123.121 -10.385 9.173 1.00 0.00 H new ATOM 0 HD21 ASN A 25 126.486 -11.304 9.405 1.00 0.00 H new ATOM 0 HD22 ASN A 25 125.230 -10.282 8.699 1.00 0.00 H new ATOM 414 N ASP A 26 123.640 -9.017 11.163 1.00 0.00 N ATOM 415 CA ASP A 26 123.872 -7.624 11.528 1.00 0.00 C ATOM 416 C ASP A 26 122.633 -6.783 11.228 1.00 0.00 C ATOM 417 O ASP A 26 121.674 -6.786 12.000 1.00 0.00 O ATOM 418 CB ASP A 26 125.089 -7.071 10.782 1.00 0.00 C ATOM 419 CG ASP A 26 126.374 -7.776 11.171 1.00 0.00 C ATOM 420 OD1 ASP A 26 126.341 -8.593 12.115 1.00 0.00 O ATOM 421 OD2 ASP A 26 127.413 -7.510 10.531 1.00 0.00 O ATOM 0 H ASP A 26 124.396 -9.447 10.631 1.00 0.00 H new ATOM 0 HA ASP A 26 124.073 -7.575 12.598 1.00 0.00 H new ATOM 0 HB2 ASP A 26 124.932 -7.174 9.708 1.00 0.00 H new ATOM 0 HB3 ASP A 26 125.185 -6.005 10.989 1.00 0.00 H new ATOM 426 N ILE A 27 122.643 -6.074 10.100 1.00 0.00 N ATOM 427 CA ILE A 27 121.503 -5.253 9.711 1.00 0.00 C ATOM 428 C ILE A 27 121.903 -4.141 8.755 1.00 0.00 C ATOM 429 O ILE A 27 121.532 -4.157 7.581 1.00 0.00 O ATOM 430 CB ILE A 27 120.805 -4.615 10.930 1.00 0.00 C ATOM 431 CG1 ILE A 27 119.995 -3.393 10.491 1.00 0.00 C ATOM 432 CG2 ILE A 27 121.827 -4.219 11.985 1.00 0.00 C ATOM 433 CD1 ILE A 27 119.114 -3.651 9.288 1.00 0.00 C ATOM 0 H ILE A 27 123.424 -6.053 9.444 1.00 0.00 H new ATOM 0 HA ILE A 27 120.812 -5.932 9.212 1.00 0.00 H new ATOM 0 HB ILE A 27 120.128 -5.349 11.366 1.00 0.00 H new ATOM 0 HG12 ILE A 27 119.373 -3.062 11.322 1.00 0.00 H new ATOM 0 HG13 ILE A 27 120.680 -2.577 10.261 1.00 0.00 H new ATOM 0 HG21 ILE A 27 121.316 -3.771 12.837 1.00 0.00 H new ATOM 0 HG22 ILE A 27 122.372 -5.104 12.314 1.00 0.00 H new ATOM 0 HG23 ILE A 27 122.526 -3.498 11.562 1.00 0.00 H new ATOM 0 HD11 ILE A 27 118.570 -2.741 9.034 1.00 0.00 H new ATOM 0 HD12 ILE A 27 119.732 -3.953 8.442 1.00 0.00 H new ATOM 0 HD13 ILE A 27 118.405 -4.445 9.520 1.00 0.00 H new ATOM 445 N ALA A 28 122.653 -3.172 9.250 1.00 0.00 N ATOM 446 CA ALA A 28 123.081 -2.074 8.407 1.00 0.00 C ATOM 447 C ALA A 28 123.934 -2.603 7.266 1.00 0.00 C ATOM 448 O ALA A 28 123.665 -2.342 6.094 1.00 0.00 O ATOM 449 CB ALA A 28 123.851 -1.044 9.222 1.00 0.00 C ATOM 0 H ALA A 28 122.973 -3.124 10.217 1.00 0.00 H new ATOM 0 HA ALA A 28 122.201 -1.584 7.989 1.00 0.00 H new ATOM 0 HB1 ALA A 28 124.165 -0.227 8.573 1.00 0.00 H new ATOM 0 HB2 ALA A 28 123.211 -0.654 10.013 1.00 0.00 H new ATOM 0 HB3 ALA A 28 124.730 -1.513 9.665 1.00 0.00 H new ATOM 455 N ASP A 29 124.963 -3.354 7.630 1.00 0.00 N ATOM 456 CA ASP A 29 125.875 -3.941 6.662 1.00 0.00 C ATOM 457 C ASP A 29 125.268 -5.143 5.931 1.00 0.00 C ATOM 458 O ASP A 29 125.561 -5.365 4.760 1.00 0.00 O ATOM 459 CB ASP A 29 127.171 -4.365 7.355 1.00 0.00 C ATOM 460 CG ASP A 29 128.187 -3.241 7.417 1.00 0.00 C ATOM 461 OD1 ASP A 29 128.022 -2.339 8.266 1.00 0.00 O ATOM 462 OD2 ASP A 29 129.146 -3.262 6.618 1.00 0.00 O ATOM 0 H ASP A 29 125.188 -3.572 8.601 1.00 0.00 H new ATOM 0 HA ASP A 29 126.080 -3.175 5.914 1.00 0.00 H new ATOM 0 HB2 ASP A 29 126.945 -4.703 8.366 1.00 0.00 H new ATOM 0 HB3 ASP A 29 127.603 -5.213 6.824 1.00 0.00 H new ATOM 467 N VAL A 30 124.466 -5.948 6.634 1.00 0.00 N ATOM 468 CA VAL A 30 123.894 -7.160 6.035 1.00 0.00 C ATOM 469 C VAL A 30 123.031 -6.893 4.809 1.00 0.00 C ATOM 470 O VAL A 30 123.244 -7.491 3.756 1.00 0.00 O ATOM 471 CB VAL A 30 123.027 -7.954 7.041 1.00 0.00 C ATOM 472 CG1 VAL A 30 121.847 -7.128 7.511 1.00 0.00 C ATOM 473 CG2 VAL A 30 122.541 -9.254 6.410 1.00 0.00 C ATOM 0 H VAL A 30 124.200 -5.787 7.605 1.00 0.00 H new ATOM 0 HA VAL A 30 124.768 -7.738 5.735 1.00 0.00 H new ATOM 0 HB VAL A 30 123.645 -8.190 7.908 1.00 0.00 H new ATOM 0 HG11 VAL A 30 121.254 -7.709 8.217 1.00 0.00 H new ATOM 0 HG12 VAL A 30 122.208 -6.223 7.999 1.00 0.00 H new ATOM 0 HG13 VAL A 30 121.229 -6.857 6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 30 121.932 -9.802 7.129 1.00 0.00 H new ATOM 0 HG22 VAL A 30 121.944 -9.029 5.526 1.00 0.00 H new ATOM 0 HG23 VAL A 30 123.399 -9.862 6.123 1.00 0.00 H new ATOM 483 N GLU A 31 122.045 -6.022 4.942 1.00 0.00 N ATOM 484 CA GLU A 31 121.143 -5.752 3.832 1.00 0.00 C ATOM 485 C GLU A 31 121.893 -5.347 2.568 1.00 0.00 C ATOM 486 O GLU A 31 121.707 -5.933 1.502 1.00 0.00 O ATOM 487 CB GLU A 31 120.155 -4.649 4.224 1.00 0.00 C ATOM 488 CG GLU A 31 120.107 -3.481 3.248 1.00 0.00 C ATOM 489 CD GLU A 31 119.637 -3.882 1.872 1.00 0.00 C ATOM 490 OE1 GLU A 31 118.437 -4.155 1.727 1.00 0.00 O ATOM 491 OE2 GLU A 31 120.470 -3.921 0.942 1.00 0.00 O ATOM 0 H GLU A 31 121.849 -5.496 5.794 1.00 0.00 H new ATOM 0 HA GLU A 31 120.605 -6.675 3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 31 119.158 -5.082 4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 31 120.421 -4.272 5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 31 119.443 -2.712 3.643 1.00 0.00 H new ATOM 0 HG3 GLU A 31 121.100 -3.037 3.172 1.00 0.00 H new ATOM 498 N TYR A 32 122.716 -4.331 2.684 1.00 0.00 N ATOM 499 CA TYR A 32 123.465 -3.826 1.551 1.00 0.00 C ATOM 500 C TYR A 32 124.589 -4.764 1.106 1.00 0.00 C ATOM 501 O TYR A 32 125.021 -4.707 -0.045 1.00 0.00 O ATOM 502 CB TYR A 32 123.947 -2.410 1.841 1.00 0.00 C ATOM 503 CG TYR A 32 122.809 -1.415 1.733 1.00 0.00 C ATOM 504 CD1 TYR A 32 122.010 -1.383 0.596 1.00 0.00 C ATOM 505 CD2 TYR A 32 122.513 -0.527 2.761 1.00 0.00 C ATOM 506 CE1 TYR A 32 120.957 -0.497 0.487 1.00 0.00 C ATOM 507 CE2 TYR A 32 121.460 0.363 2.655 1.00 0.00 C ATOM 508 CZ TYR A 32 120.687 0.374 1.517 1.00 0.00 C ATOM 509 OH TYR A 32 119.638 1.258 1.409 1.00 0.00 O ATOM 0 H TYR A 32 122.886 -3.833 3.558 1.00 0.00 H new ATOM 0 HA TYR A 32 122.793 -3.786 0.694 1.00 0.00 H new ATOM 0 HB2 TYR A 32 124.379 -2.367 2.841 1.00 0.00 H new ATOM 0 HB3 TYR A 32 124.738 -2.141 1.141 1.00 0.00 H new ATOM 0 HD1 TYR A 32 122.217 -2.064 -0.217 1.00 0.00 H new ATOM 0 HD2 TYR A 32 123.116 -0.532 3.657 1.00 0.00 H new ATOM 0 HE1 TYR A 32 120.347 -0.488 -0.404 1.00 0.00 H new ATOM 0 HE2 TYR A 32 121.245 1.047 3.463 1.00 0.00 H new ATOM 0 HH TYR A 32 119.564 1.566 0.482 1.00 0.00 H new ATOM 519 N GLN A 33 125.066 -5.627 2.004 1.00 0.00 N ATOM 520 CA GLN A 33 126.141 -6.553 1.648 1.00 0.00 C ATOM 521 C GLN A 33 125.706 -7.483 0.521 1.00 0.00 C ATOM 522 O GLN A 33 126.528 -7.938 -0.274 1.00 0.00 O ATOM 523 CB GLN A 33 126.584 -7.379 2.856 1.00 0.00 C ATOM 524 CG GLN A 33 125.664 -8.546 3.165 1.00 0.00 C ATOM 525 CD GLN A 33 126.269 -9.883 2.786 1.00 0.00 C ATOM 526 OE1 GLN A 33 126.892 -10.019 1.733 1.00 0.00 O ATOM 527 NE2 GLN A 33 126.091 -10.879 3.646 1.00 0.00 N ATOM 0 H GLN A 33 124.733 -5.704 2.965 1.00 0.00 H new ATOM 0 HA GLN A 33 126.986 -5.955 1.308 1.00 0.00 H new ATOM 0 HB2 GLN A 33 127.590 -7.758 2.677 1.00 0.00 H new ATOM 0 HB3 GLN A 33 126.639 -6.729 3.729 1.00 0.00 H new ATOM 0 HG2 GLN A 33 125.429 -8.547 4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 33 124.723 -8.413 2.631 1.00 0.00 H new ATOM 0 HE21 GLN A 33 125.568 -10.722 4.507 1.00 0.00 H new ATOM 0 HE22 GLN A 33 126.478 -11.801 3.445 1.00 0.00 H new ATOM 536 N PHE A 34 124.409 -7.765 0.459 1.00 0.00 N ATOM 537 CA PHE A 34 123.867 -8.643 -0.570 1.00 0.00 C ATOM 538 C PHE A 34 124.221 -8.128 -1.959 1.00 0.00 C ATOM 539 O PHE A 34 124.554 -8.903 -2.856 1.00 0.00 O ATOM 540 CB PHE A 34 122.347 -8.745 -0.427 1.00 0.00 C ATOM 541 CG PHE A 34 121.689 -9.536 -1.522 1.00 0.00 C ATOM 542 CD1 PHE A 34 121.681 -9.066 -2.825 1.00 0.00 C ATOM 543 CD2 PHE A 34 121.077 -10.747 -1.246 1.00 0.00 C ATOM 544 CE1 PHE A 34 121.074 -9.790 -3.834 1.00 0.00 C ATOM 545 CE2 PHE A 34 120.468 -11.476 -2.251 1.00 0.00 C ATOM 546 CZ PHE A 34 120.467 -10.996 -3.546 1.00 0.00 C ATOM 0 H PHE A 34 123.714 -7.398 1.109 1.00 0.00 H new ATOM 0 HA PHE A 34 124.307 -9.632 -0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 34 122.111 -9.204 0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 34 121.924 -7.740 -0.412 1.00 0.00 H new ATOM 0 HD1 PHE A 34 122.154 -8.123 -3.055 1.00 0.00 H new ATOM 0 HD2 PHE A 34 121.075 -11.126 -0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 34 121.075 -9.413 -4.846 1.00 0.00 H new ATOM 0 HE2 PHE A 34 119.994 -12.419 -2.024 1.00 0.00 H new ATOM 0 HZ PHE A 34 119.992 -11.563 -4.333 1.00 0.00 H new ATOM 556 N LEU A 35 124.150 -6.814 -2.129 1.00 0.00 N ATOM 557 CA LEU A 35 124.467 -6.190 -3.408 1.00 0.00 C ATOM 558 C LEU A 35 125.934 -6.403 -3.766 1.00 0.00 C ATOM 559 O LEU A 35 126.279 -6.582 -4.934 1.00 0.00 O ATOM 560 CB LEU A 35 124.156 -4.693 -3.360 1.00 0.00 C ATOM 561 CG LEU A 35 122.679 -4.345 -3.177 1.00 0.00 C ATOM 562 CD1 LEU A 35 122.526 -3.137 -2.268 1.00 0.00 C ATOM 563 CD2 LEU A 35 122.023 -4.089 -4.525 1.00 0.00 C ATOM 0 H LEU A 35 123.876 -6.159 -1.397 1.00 0.00 H new ATOM 0 HA LEU A 35 123.851 -6.658 -4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 35 124.723 -4.246 -2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 35 124.510 -4.234 -4.283 1.00 0.00 H new ATOM 0 HG LEU A 35 122.179 -5.192 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 35 121.468 -2.903 -2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 35 122.961 -3.358 -1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 35 123.039 -2.282 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 35 120.972 -3.843 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 35 122.524 -3.258 -5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 35 122.103 -4.983 -5.144 1.00 0.00 H new ATOM 575 N ALA A 36 126.794 -6.380 -2.753 1.00 0.00 N ATOM 576 CA ALA A 36 128.225 -6.569 -2.960 1.00 0.00 C ATOM 577 C ALA A 36 128.549 -8.030 -3.253 1.00 0.00 C ATOM 578 O ALA A 36 129.379 -8.331 -4.111 1.00 0.00 O ATOM 579 CB ALA A 36 129.001 -6.089 -1.742 1.00 0.00 C ATOM 0 H ALA A 36 126.525 -6.232 -1.780 1.00 0.00 H new ATOM 0 HA ALA A 36 128.524 -5.977 -3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 36 130.068 -6.236 -1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 36 128.802 -5.030 -1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 36 128.690 -6.657 -0.865 1.00 0.00 H new ATOM 707 N VAL A 45 127.875 0.284 -4.213 1.00 0.00 N ATOM 708 CA VAL A 45 126.797 0.693 -3.324 1.00 0.00 C ATOM 709 C VAL A 45 127.293 0.862 -1.895 1.00 0.00 C ATOM 710 O VAL A 45 126.507 0.837 -0.949 1.00 0.00 O ATOM 711 CB VAL A 45 125.657 -0.332 -3.316 1.00 0.00 C ATOM 712 CG1 VAL A 45 124.316 0.352 -3.536 1.00 0.00 C ATOM 713 CG2 VAL A 45 125.897 -1.411 -4.363 1.00 0.00 C ATOM 0 HA VAL A 45 126.430 1.647 -3.703 1.00 0.00 H new ATOM 0 HB VAL A 45 125.634 -0.811 -2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 45 123.521 -0.394 -3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 45 124.143 1.077 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 45 124.322 0.864 -4.498 1.00 0.00 H new ATOM 0 HG21 VAL A 45 125.077 -2.128 -4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 45 125.952 -0.954 -5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 45 126.834 -1.925 -4.148 1.00 0.00 H new ATOM 723 N LEU A 46 128.598 1.033 -1.743 1.00 0.00 N ATOM 724 CA LEU A 46 129.189 1.198 -0.423 1.00 0.00 C ATOM 725 C LEU A 46 128.521 2.352 0.310 1.00 0.00 C ATOM 726 O LEU A 46 128.230 2.257 1.502 1.00 0.00 O ATOM 727 CB LEU A 46 130.694 1.450 -0.538 1.00 0.00 C ATOM 728 CG LEU A 46 131.093 2.917 -0.719 1.00 0.00 C ATOM 729 CD1 LEU A 46 132.576 3.103 -0.443 1.00 0.00 C ATOM 730 CD2 LEU A 46 130.745 3.393 -2.121 1.00 0.00 C ATOM 0 H LEU A 46 129.266 1.061 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 46 129.032 0.280 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 46 131.181 1.065 0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 46 131.079 0.878 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 46 130.533 3.519 -0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 46 132.842 4.152 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 46 132.796 2.800 0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 46 133.154 2.491 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 46 131.035 4.438 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 46 131.279 2.788 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 46 129.671 3.295 -2.282 1.00 0.00 H new ATOM 742 N TYR A 47 128.257 3.431 -0.414 1.00 0.00 N ATOM 743 CA TYR A 47 127.598 4.587 0.171 1.00 0.00 C ATOM 744 C TYR A 47 126.207 4.202 0.659 1.00 0.00 C ATOM 745 O TYR A 47 125.783 4.599 1.746 1.00 0.00 O ATOM 746 CB TYR A 47 127.502 5.723 -0.849 1.00 0.00 C ATOM 747 CG TYR A 47 127.495 7.100 -0.226 1.00 0.00 C ATOM 748 CD1 TYR A 47 128.668 7.674 0.248 1.00 0.00 C ATOM 749 CD2 TYR A 47 126.316 7.826 -0.113 1.00 0.00 C ATOM 750 CE1 TYR A 47 128.666 8.933 0.819 1.00 0.00 C ATOM 751 CE2 TYR A 47 126.307 9.086 0.456 1.00 0.00 C ATOM 752 CZ TYR A 47 127.482 9.634 0.920 1.00 0.00 C ATOM 753 OH TYR A 47 127.477 10.888 1.488 1.00 0.00 O ATOM 0 H TYR A 47 128.488 3.529 -1.403 1.00 0.00 H new ATOM 0 HA TYR A 47 128.189 4.933 1.019 1.00 0.00 H new ATOM 0 HB2 TYR A 47 128.342 5.651 -1.540 1.00 0.00 H new ATOM 0 HB3 TYR A 47 126.593 5.595 -1.437 1.00 0.00 H new ATOM 0 HD1 TYR A 47 129.596 7.128 0.169 1.00 0.00 H new ATOM 0 HD2 TYR A 47 125.392 7.400 -0.475 1.00 0.00 H new ATOM 0 HE1 TYR A 47 129.586 9.365 1.184 1.00 0.00 H new ATOM 0 HE2 TYR A 47 125.382 9.638 0.536 1.00 0.00 H new ATOM 0 HH TYR A 47 126.565 11.246 1.482 1.00 0.00 H new ATOM 763 N PHE A 48 125.505 3.407 -0.148 1.00 0.00 N ATOM 764 CA PHE A 48 124.166 2.956 0.204 1.00 0.00 C ATOM 765 C PHE A 48 124.198 2.166 1.504 1.00 0.00 C ATOM 766 O PHE A 48 123.231 2.170 2.266 1.00 0.00 O ATOM 767 CB PHE A 48 123.546 2.117 -0.921 1.00 0.00 C ATOM 768 CG PHE A 48 122.104 2.461 -1.186 1.00 0.00 C ATOM 769 CD1 PHE A 48 121.675 3.778 -1.116 1.00 0.00 C ATOM 770 CD2 PHE A 48 121.174 1.475 -1.488 1.00 0.00 C ATOM 771 CE1 PHE A 48 120.353 4.107 -1.345 1.00 0.00 C ATOM 772 CE2 PHE A 48 119.850 1.800 -1.714 1.00 0.00 C ATOM 773 CZ PHE A 48 119.439 3.116 -1.643 1.00 0.00 C ATOM 0 H PHE A 48 125.843 3.065 -1.047 1.00 0.00 H new ATOM 0 HA PHE A 48 123.541 3.838 0.345 1.00 0.00 H new ATOM 0 HB2 PHE A 48 124.122 2.262 -1.835 1.00 0.00 H new ATOM 0 HB3 PHE A 48 123.620 1.061 -0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 48 122.384 4.557 -0.879 1.00 0.00 H new ATOM 0 HD2 PHE A 48 121.489 0.444 -1.547 1.00 0.00 H new ATOM 0 HE1 PHE A 48 120.035 5.138 -1.291 1.00 0.00 H new ATOM 0 HE2 PHE A 48 119.136 1.024 -1.946 1.00 0.00 H new ATOM 0 HZ PHE A 48 118.404 3.370 -1.820 1.00 0.00 H new ATOM 783 N ARG A 49 125.313 1.488 1.757 1.00 0.00 N ATOM 784 CA ARG A 49 125.454 0.696 2.971 1.00 0.00 C ATOM 785 C ARG A 49 125.181 1.552 4.207 1.00 0.00 C ATOM 786 O ARG A 49 124.460 1.134 5.115 1.00 0.00 O ATOM 787 CB ARG A 49 126.859 0.092 3.052 1.00 0.00 C ATOM 788 CG ARG A 49 127.135 -0.951 1.981 1.00 0.00 C ATOM 789 CD ARG A 49 127.070 -2.365 2.543 1.00 0.00 C ATOM 790 NE ARG A 49 128.316 -3.095 2.330 1.00 0.00 N ATOM 791 CZ ARG A 49 128.713 -4.111 3.089 1.00 0.00 C ATOM 792 NH1 ARG A 49 127.964 -4.513 4.106 1.00 0.00 N ATOM 793 NH2 ARG A 49 129.859 -4.725 2.831 1.00 0.00 N ATOM 0 H ARG A 49 126.126 1.472 1.142 1.00 0.00 H new ATOM 0 HA ARG A 49 124.723 -0.112 2.939 1.00 0.00 H new ATOM 0 HB2 ARG A 49 127.595 0.892 2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 49 126.994 -0.362 4.033 1.00 0.00 H new ATOM 0 HG2 ARG A 49 126.409 -0.846 1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 49 128.120 -0.776 1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 49 126.853 -2.321 3.610 1.00 0.00 H new ATOM 0 HD3 ARG A 49 126.248 -2.905 2.072 1.00 0.00 H new ATOM 0 HE ARG A 49 128.915 -2.809 1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 49 127.082 -4.042 4.307 1.00 0.00 H new ATOM 0 HH12 ARG A 49 128.270 -5.293 4.688 1.00 0.00 H new ATOM 0 HH21 ARG A 49 130.437 -4.418 2.049 1.00 0.00 H new ATOM 0 HH22 ARG A 49 130.162 -5.505 3.414 1.00 0.00 H new ATOM 807 N GLU A 50 125.748 2.755 4.231 1.00 0.00 N ATOM 808 CA GLU A 50 125.557 3.667 5.357 1.00 0.00 C ATOM 809 C GLU A 50 124.089 4.056 5.512 1.00 0.00 C ATOM 810 O GLU A 50 123.617 4.314 6.619 1.00 0.00 O ATOM 811 CB GLU A 50 126.410 4.923 5.170 1.00 0.00 C ATOM 812 CG GLU A 50 127.522 5.063 6.197 1.00 0.00 C ATOM 813 CD GLU A 50 127.762 6.503 6.605 1.00 0.00 C ATOM 814 OE1 GLU A 50 127.586 7.399 5.753 1.00 0.00 O ATOM 815 OE2 GLU A 50 128.124 6.735 7.778 1.00 0.00 O ATOM 0 H GLU A 50 126.342 3.121 3.487 1.00 0.00 H new ATOM 0 HA GLU A 50 125.870 3.149 6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 50 126.848 4.909 4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 50 125.766 5.801 5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 50 127.271 4.476 7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 50 128.443 4.647 5.789 1.00 0.00 H new ATOM 822 N LEU A 51 123.379 4.104 4.393 1.00 0.00 N ATOM 823 CA LEU A 51 121.967 4.472 4.384 1.00 0.00 C ATOM 824 C LEU A 51 121.129 3.543 5.257 1.00 0.00 C ATOM 825 O LEU A 51 120.173 3.976 5.901 1.00 0.00 O ATOM 826 CB LEU A 51 121.439 4.427 2.953 1.00 0.00 C ATOM 827 CG LEU A 51 120.516 5.577 2.560 1.00 0.00 C ATOM 828 CD1 LEU A 51 119.480 5.098 1.554 1.00 0.00 C ATOM 829 CD2 LEU A 51 119.838 6.164 3.789 1.00 0.00 C ATOM 0 H LEU A 51 123.761 3.891 3.471 1.00 0.00 H new ATOM 0 HA LEU A 51 121.885 5.480 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 51 122.289 4.416 2.270 1.00 0.00 H new ATOM 0 HB3 LEU A 51 120.903 3.488 2.811 1.00 0.00 H new ATOM 0 HG LEU A 51 121.115 6.361 2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 51 118.827 5.927 1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 51 119.984 4.724 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 51 118.886 4.299 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 51 119.184 6.982 3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 51 119.248 5.392 4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 51 120.595 6.539 4.478 1.00 0.00 H new ATOM 841 N LEU A 52 121.478 2.264 5.259 1.00 0.00 N ATOM 842 CA LEU A 52 120.739 1.271 6.032 1.00 0.00 C ATOM 843 C LEU A 52 120.817 1.554 7.527 1.00 0.00 C ATOM 844 O LEU A 52 119.889 1.244 8.273 1.00 0.00 O ATOM 845 CB LEU A 52 121.286 -0.127 5.747 1.00 0.00 C ATOM 846 CG LEU A 52 120.357 -1.093 5.000 1.00 0.00 C ATOM 847 CD1 LEU A 52 119.827 -2.159 5.943 1.00 0.00 C ATOM 848 CD2 LEU A 52 119.197 -0.378 4.324 1.00 0.00 C ATOM 0 H LEU A 52 122.268 1.888 4.735 1.00 0.00 H new ATOM 0 HA LEU A 52 119.693 1.327 5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 52 122.203 -0.022 5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 52 121.560 -0.585 6.697 1.00 0.00 H new ATOM 0 HG LEU A 52 120.954 -1.562 4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 52 119.170 -2.835 5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 52 120.661 -2.723 6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 52 119.269 -1.685 6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 52 118.570 -1.107 3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 52 118.604 0.145 5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 52 119.584 0.341 3.602 1.00 0.00 H new ATOM 860 N ALA A 53 121.928 2.131 7.962 1.00 0.00 N ATOM 861 CA ALA A 53 122.112 2.436 9.373 1.00 0.00 C ATOM 862 C ALA A 53 120.992 3.333 9.884 1.00 0.00 C ATOM 863 O ALA A 53 120.566 3.214 11.033 1.00 0.00 O ATOM 864 CB ALA A 53 123.465 3.095 9.599 1.00 0.00 C ATOM 0 H ALA A 53 122.710 2.396 7.363 1.00 0.00 H new ATOM 0 HA ALA A 53 122.081 1.501 9.932 1.00 0.00 H new ATOM 0 HB1 ALA A 53 123.589 3.318 10.659 1.00 0.00 H new ATOM 0 HB2 ALA A 53 124.257 2.420 9.275 1.00 0.00 H new ATOM 0 HB3 ALA A 53 123.519 4.020 9.025 1.00 0.00 H new ATOM 870 N GLY A 54 120.506 4.219 9.021 1.00 0.00 N ATOM 871 CA GLY A 54 119.436 5.114 9.415 1.00 0.00 C ATOM 872 C GLY A 54 118.200 4.362 9.860 1.00 0.00 C ATOM 873 O GLY A 54 117.561 4.731 10.846 1.00 0.00 O ATOM 0 H GLY A 54 120.832 4.332 8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 54 119.781 5.756 10.226 1.00 0.00 H new ATOM 0 HA3 GLY A 54 119.182 5.765 8.579 1.00 0.00 H new ATOM 877 N VAL A 55 117.876 3.291 9.148 1.00 0.00 N ATOM 878 CA VAL A 55 116.722 2.476 9.488 1.00 0.00 C ATOM 879 C VAL A 55 116.963 1.756 10.804 1.00 0.00 C ATOM 880 O VAL A 55 116.042 1.542 11.594 1.00 0.00 O ATOM 881 CB VAL A 55 116.416 1.438 8.393 1.00 0.00 C ATOM 882 CG1 VAL A 55 114.951 1.032 8.434 1.00 0.00 C ATOM 883 CG2 VAL A 55 116.788 1.984 7.022 1.00 0.00 C ATOM 0 H VAL A 55 118.397 2.968 8.332 1.00 0.00 H new ATOM 0 HA VAL A 55 115.865 3.143 9.578 1.00 0.00 H new ATOM 0 HB VAL A 55 117.019 0.550 8.582 1.00 0.00 H new ATOM 0 HG11 VAL A 55 114.755 0.298 7.652 1.00 0.00 H new ATOM 0 HG12 VAL A 55 114.721 0.597 9.407 1.00 0.00 H new ATOM 0 HG13 VAL A 55 114.325 1.910 8.272 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.565 1.237 6.260 1.00 0.00 H new ATOM 0 HG22 VAL A 55 116.214 2.889 6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 55 117.852 2.218 7.000 1.00 0.00 H new ATOM 893 N ALA A 56 118.218 1.387 11.028 1.00 0.00 N ATOM 894 CA ALA A 56 118.611 0.690 12.240 1.00 0.00 C ATOM 895 C ALA A 56 118.575 1.620 13.448 1.00 0.00 C ATOM 896 O ALA A 56 118.503 1.167 14.590 1.00 0.00 O ATOM 897 CB ALA A 56 119.994 0.093 12.057 1.00 0.00 C ATOM 0 H ALA A 56 118.985 1.562 10.378 1.00 0.00 H new ATOM 0 HA ALA A 56 117.899 -0.113 12.428 1.00 0.00 H new ATOM 0 HB1 ALA A 56 120.288 -0.430 12.967 1.00 0.00 H new ATOM 0 HB2 ALA A 56 119.980 -0.609 11.224 1.00 0.00 H new ATOM 0 HB3 ALA A 56 120.709 0.889 11.849 1.00 0.00 H new ATOM 903 N THR A 57 118.627 2.923 13.186 1.00 0.00 N ATOM 904 CA THR A 57 118.604 3.916 14.254 1.00 0.00 C ATOM 905 C THR A 57 117.418 4.859 14.091 1.00 0.00 C ATOM 906 O THR A 57 117.444 5.994 14.570 1.00 0.00 O ATOM 907 CB THR A 57 119.909 4.715 14.265 1.00 0.00 C ATOM 908 OG1 THR A 57 119.978 5.577 13.144 1.00 0.00 O ATOM 909 CG2 THR A 57 121.144 3.842 14.251 1.00 0.00 C ATOM 0 H THR A 57 118.685 3.314 12.246 1.00 0.00 H new ATOM 0 HA THR A 57 118.501 3.391 15.204 1.00 0.00 H new ATOM 0 HB THR A 57 119.895 5.280 15.197 1.00 0.00 H new ATOM 0 HG1 THR A 57 120.177 5.053 12.340 1.00 0.00 H new ATOM 0 HG21 THR A 57 122.034 4.471 14.260 1.00 0.00 H new ATOM 0 HG22 THR A 57 121.145 3.199 15.131 1.00 0.00 H new ATOM 0 HG23 THR A 57 121.144 3.226 13.352 1.00 0.00 H new ATOM 917 N ASN A 58 116.380 4.384 13.415 1.00 0.00 N ATOM 918 CA ASN A 58 115.184 5.185 13.189 1.00 0.00 C ATOM 919 C ASN A 58 114.095 4.361 12.509 1.00 0.00 C ATOM 920 O ASN A 58 113.295 4.889 11.738 1.00 0.00 O ATOM 921 CB ASN A 58 115.519 6.411 12.337 1.00 0.00 C ATOM 922 CG ASN A 58 115.128 7.709 13.012 1.00 0.00 C ATOM 923 OD1 ASN A 58 114.737 7.722 14.180 1.00 0.00 O ATOM 924 ND2 ASN A 58 115.231 8.813 12.280 1.00 0.00 N ATOM 0 H ASN A 58 116.342 3.447 13.013 1.00 0.00 H new ATOM 0 HA ASN A 58 114.811 5.515 14.159 1.00 0.00 H new ATOM 0 HB2 ASN A 58 116.588 6.422 12.126 1.00 0.00 H new ATOM 0 HB3 ASN A 58 115.006 6.335 11.378 1.00 0.00 H new ATOM 0 HD21 ASN A 58 114.982 9.717 12.682 1.00 0.00 H new ATOM 0 HD22 ASN A 58 115.560 8.757 11.316 1.00 0.00 H new ATOM 931 N THR A 59 114.069 3.064 12.801 1.00 0.00 N ATOM 932 CA THR A 59 113.074 2.176 12.216 1.00 0.00 C ATOM 933 C THR A 59 111.666 2.623 12.597 1.00 0.00 C ATOM 934 O THR A 59 110.790 2.744 11.741 1.00 0.00 O ATOM 935 CB THR A 59 113.306 0.735 12.677 1.00 0.00 C ATOM 936 OG1 THR A 59 114.622 0.574 13.173 1.00 0.00 O ATOM 937 CG2 THR A 59 113.099 -0.287 11.578 1.00 0.00 C ATOM 0 H THR A 59 114.723 2.608 13.437 1.00 0.00 H new ATOM 0 HA THR A 59 113.174 2.220 11.132 1.00 0.00 H new ATOM 0 HB THR A 59 112.566 0.558 13.457 1.00 0.00 H new ATOM 0 HG1 THR A 59 115.265 0.726 12.449 1.00 0.00 H new ATOM 0 HG21 THR A 59 113.279 -1.287 11.972 1.00 0.00 H new ATOM 0 HG22 THR A 59 112.076 -0.222 11.209 1.00 0.00 H new ATOM 0 HG23 THR A 59 113.793 -0.089 10.761 1.00 0.00 H new ATOM 945 N ALA A 60 111.462 2.879 13.886 1.00 0.00 N ATOM 946 CA ALA A 60 110.163 3.321 14.378 1.00 0.00 C ATOM 947 C ALA A 60 109.745 4.616 13.697 1.00 0.00 C ATOM 948 O ALA A 60 108.560 4.858 13.473 1.00 0.00 O ATOM 949 CB ALA A 60 110.202 3.500 15.887 1.00 0.00 C ATOM 0 H ALA A 60 112.178 2.788 14.606 1.00 0.00 H new ATOM 0 HA ALA A 60 109.425 2.556 14.139 1.00 0.00 H new ATOM 0 HB1 ALA A 60 109.225 3.830 16.240 1.00 0.00 H new ATOM 0 HB2 ALA A 60 110.457 2.551 16.359 1.00 0.00 H new ATOM 0 HB3 ALA A 60 110.953 4.247 16.146 1.00 0.00 H new ATOM 955 N TYR A 61 110.730 5.435 13.348 1.00 0.00 N ATOM 956 CA TYR A 61 110.468 6.695 12.670 1.00 0.00 C ATOM 957 C TYR A 61 109.800 6.407 11.340 1.00 0.00 C ATOM 958 O TYR A 61 108.797 7.025 10.981 1.00 0.00 O ATOM 959 CB TYR A 61 111.765 7.473 12.457 1.00 0.00 C ATOM 960 CG TYR A 61 111.732 8.388 11.254 1.00 0.00 C ATOM 961 CD1 TYR A 61 110.606 9.149 10.965 1.00 0.00 C ATOM 962 CD2 TYR A 61 112.829 8.494 10.411 1.00 0.00 C ATOM 963 CE1 TYR A 61 110.574 9.990 9.870 1.00 0.00 C ATOM 964 CE2 TYR A 61 112.807 9.334 9.312 1.00 0.00 C ATOM 965 CZ TYR A 61 111.678 10.080 9.048 1.00 0.00 C ATOM 966 OH TYR A 61 111.654 10.920 7.959 1.00 0.00 O ATOM 0 H TYR A 61 111.717 5.248 13.524 1.00 0.00 H new ATOM 0 HA TYR A 61 109.809 7.307 13.286 1.00 0.00 H new ATOM 0 HB2 TYR A 61 111.974 8.065 13.348 1.00 0.00 H new ATOM 0 HB3 TYR A 61 112.588 6.767 12.344 1.00 0.00 H new ATOM 0 HD1 TYR A 61 109.741 9.082 11.608 1.00 0.00 H new ATOM 0 HD2 TYR A 61 113.715 7.911 10.616 1.00 0.00 H new ATOM 0 HE1 TYR A 61 109.690 10.574 9.659 1.00 0.00 H new ATOM 0 HE2 TYR A 61 113.669 9.405 8.665 1.00 0.00 H new ATOM 0 HH TYR A 61 112.255 11.678 8.117 1.00 0.00 H new ATOM 976 N LEU A 62 110.347 5.427 10.633 1.00 0.00 N ATOM 977 CA LEU A 62 109.791 5.008 9.362 1.00 0.00 C ATOM 978 C LEU A 62 108.422 4.396 9.609 1.00 0.00 C ATOM 979 O LEU A 62 107.531 4.457 8.762 1.00 0.00 O ATOM 980 CB LEU A 62 110.710 3.994 8.677 1.00 0.00 C ATOM 981 CG LEU A 62 112.025 4.568 8.145 1.00 0.00 C ATOM 982 CD1 LEU A 62 112.774 3.523 7.332 1.00 0.00 C ATOM 983 CD2 LEU A 62 111.763 5.811 7.309 1.00 0.00 C ATOM 0 H LEU A 62 111.177 4.909 10.922 1.00 0.00 H new ATOM 0 HA LEU A 62 109.698 5.872 8.703 1.00 0.00 H new ATOM 0 HB2 LEU A 62 110.939 3.198 9.385 1.00 0.00 H new ATOM 0 HB3 LEU A 62 110.169 3.538 7.848 1.00 0.00 H new ATOM 0 HG LEU A 62 112.647 4.850 8.995 1.00 0.00 H new ATOM 0 HD11 LEU A 62 113.706 3.949 6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 62 112.994 2.661 7.962 1.00 0.00 H new ATOM 0 HD13 LEU A 62 112.159 3.209 6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 62 112.709 6.206 6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 62 111.122 5.554 6.466 1.00 0.00 H new ATOM 0 HD23 LEU A 62 111.270 6.565 7.923 1.00 0.00 H new ATOM 995 N ASP A 63 108.270 3.810 10.795 1.00 0.00 N ATOM 996 CA ASP A 63 107.013 3.184 11.186 1.00 0.00 C ATOM 997 C ASP A 63 105.875 4.198 11.150 1.00 0.00 C ATOM 998 O ASP A 63 104.709 3.832 10.997 1.00 0.00 O ATOM 999 CB ASP A 63 107.131 2.581 12.587 1.00 0.00 C ATOM 1000 CG ASP A 63 106.135 1.461 12.819 1.00 0.00 C ATOM 1001 OD1 ASP A 63 104.917 1.720 12.721 1.00 0.00 O ATOM 1002 OD2 ASP A 63 106.573 0.325 13.099 1.00 0.00 O ATOM 0 H ASP A 63 109.004 3.757 11.501 1.00 0.00 H new ATOM 0 HA ASP A 63 106.793 2.387 10.476 1.00 0.00 H new ATOM 0 HB2 ASP A 63 108.142 2.201 12.732 1.00 0.00 H new ATOM 0 HB3 ASP A 63 106.975 3.363 13.331 1.00 0.00 H new ATOM 1007 N GLY A 64 106.222 5.474 11.290 1.00 0.00 N ATOM 1008 CA GLY A 64 105.215 6.517 11.269 1.00 0.00 C ATOM 1009 C GLY A 64 104.457 6.546 9.958 1.00 0.00 C ATOM 1010 O GLY A 64 103.305 6.977 9.907 1.00 0.00 O ATOM 0 H GLY A 64 107.179 5.802 11.417 1.00 0.00 H new ATOM 0 HA2 GLY A 64 104.515 6.362 12.090 1.00 0.00 H new ATOM 0 HA3 GLY A 64 105.691 7.484 11.435 1.00 0.00 H new ATOM 1014 N LEU A 65 105.100 6.067 8.897 1.00 0.00 N ATOM 1015 CA LEU A 65 104.472 6.022 7.584 1.00 0.00 C ATOM 1016 C LEU A 65 103.468 4.876 7.527 1.00 0.00 C ATOM 1017 O LEU A 65 102.367 5.023 6.996 1.00 0.00 O ATOM 1018 CB LEU A 65 105.525 5.840 6.488 1.00 0.00 C ATOM 1019 CG LEU A 65 106.663 6.862 6.486 1.00 0.00 C ATOM 1020 CD1 LEU A 65 106.902 7.387 5.078 1.00 0.00 C ATOM 1021 CD2 LEU A 65 106.363 8.009 7.440 1.00 0.00 C ATOM 0 H LEU A 65 106.054 5.706 8.922 1.00 0.00 H new ATOM 0 HA LEU A 65 103.954 6.966 7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 65 105.956 4.844 6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 65 105.026 5.878 5.520 1.00 0.00 H new ATOM 0 HG LEU A 65 107.570 6.364 6.830 1.00 0.00 H new ATOM 0 HD11 LEU A 65 107.715 8.113 5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 65 107.168 6.559 4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 65 105.995 7.866 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 65 107.187 8.723 7.421 1.00 0.00 H new ATOM 0 HD22 LEU A 65 105.444 8.507 7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 65 106.243 7.620 8.451 1.00 0.00 H new ATOM 1033 N MET A 66 103.863 3.736 8.088 1.00 0.00 N ATOM 1034 CA MET A 66 103.011 2.552 8.119 1.00 0.00 C ATOM 1035 C MET A 66 102.067 2.598 9.315 1.00 0.00 C ATOM 1036 O MET A 66 101.089 1.854 9.381 1.00 0.00 O ATOM 1037 CB MET A 66 103.870 1.288 8.196 1.00 0.00 C ATOM 1038 CG MET A 66 105.006 1.258 7.190 1.00 0.00 C ATOM 1039 SD MET A 66 105.186 -0.350 6.394 1.00 0.00 S ATOM 1040 CE MET A 66 106.609 -0.055 5.348 1.00 0.00 C ATOM 0 H MET A 66 104.773 3.608 8.530 1.00 0.00 H new ATOM 0 HA MET A 66 102.419 2.534 7.204 1.00 0.00 H new ATOM 0 HB2 MET A 66 104.284 1.202 9.201 1.00 0.00 H new ATOM 0 HB3 MET A 66 103.234 0.417 8.038 1.00 0.00 H new ATOM 0 HG2 MET A 66 104.832 2.019 6.429 1.00 0.00 H new ATOM 0 HG3 MET A 66 105.938 1.517 7.692 1.00 0.00 H new ATOM 0 HE1 MET A 66 106.953 -1.000 4.927 1.00 0.00 H new ATOM 0 HE2 MET A 66 106.333 0.623 4.541 1.00 0.00 H new ATOM 0 HE3 MET A 66 107.409 0.391 5.939 1.00 0.00 H new ATOM 1050 N LYS A 67 102.381 3.473 10.260 1.00 0.00 N ATOM 1051 CA LYS A 67 101.587 3.629 11.472 1.00 0.00 C ATOM 1052 C LYS A 67 100.112 3.951 11.190 1.00 0.00 C ATOM 1053 O LYS A 67 99.247 3.636 12.007 1.00 0.00 O ATOM 1054 CB LYS A 67 102.189 4.730 12.347 1.00 0.00 C ATOM 1055 CG LYS A 67 101.549 4.832 13.722 1.00 0.00 C ATOM 1056 CD LYS A 67 102.348 4.069 14.766 1.00 0.00 C ATOM 1057 CE LYS A 67 101.445 3.480 15.838 1.00 0.00 C ATOM 1058 NZ LYS A 67 101.817 2.077 16.169 1.00 0.00 N ATOM 0 H LYS A 67 103.190 4.093 10.209 1.00 0.00 H new ATOM 0 HA LYS A 67 101.613 2.670 11.989 1.00 0.00 H new ATOM 0 HB2 LYS A 67 103.257 4.546 12.465 1.00 0.00 H new ATOM 0 HB3 LYS A 67 102.085 5.687 11.835 1.00 0.00 H new ATOM 0 HG2 LYS A 67 101.475 5.880 14.013 1.00 0.00 H new ATOM 0 HG3 LYS A 67 100.533 4.440 13.682 1.00 0.00 H new ATOM 0 HD2 LYS A 67 102.910 3.270 14.283 1.00 0.00 H new ATOM 0 HD3 LYS A 67 103.076 4.736 15.228 1.00 0.00 H new ATOM 0 HE2 LYS A 67 101.503 4.093 16.738 1.00 0.00 H new ATOM 0 HE3 LYS A 67 100.410 3.510 15.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 101.177 1.712 16.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 101.738 1.486 15.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 102.796 2.051 16.518 1.00 0.00 H new ATOM 1072 N PRO A 68 99.793 4.609 10.056 1.00 0.00 N ATOM 1073 CA PRO A 68 98.424 4.986 9.731 1.00 0.00 C ATOM 1074 C PRO A 68 97.661 3.958 8.892 1.00 0.00 C ATOM 1075 O PRO A 68 96.570 4.253 8.404 1.00 0.00 O ATOM 1076 CB PRO A 68 98.610 6.283 8.942 1.00 0.00 C ATOM 1077 CG PRO A 68 100.013 6.256 8.407 1.00 0.00 C ATOM 1078 CD PRO A 68 100.724 5.075 9.026 1.00 0.00 C ATOM 0 HA PRO A 68 97.820 5.074 10.634 1.00 0.00 H new ATOM 0 HB2 PRO A 68 97.886 6.351 8.130 1.00 0.00 H new ATOM 0 HB3 PRO A 68 98.455 7.152 9.581 1.00 0.00 H new ATOM 0 HG2 PRO A 68 100.005 6.170 7.320 1.00 0.00 H new ATOM 0 HG3 PRO A 68 100.532 7.183 8.650 1.00 0.00 H new ATOM 0 HD2 PRO A 68 100.927 4.298 8.289 1.00 0.00 H new ATOM 0 HD3 PRO A 68 101.683 5.365 9.455 1.00 0.00 H new ATOM 1086 N TYR A 69 98.208 2.755 8.724 1.00 0.00 N ATOM 1087 CA TYR A 69 97.516 1.735 7.941 1.00 0.00 C ATOM 1088 C TYR A 69 97.830 0.318 8.417 1.00 0.00 C ATOM 1089 O TYR A 69 97.526 -0.652 7.723 1.00 0.00 O ATOM 1090 CB TYR A 69 97.833 1.883 6.452 1.00 0.00 C ATOM 1091 CG TYR A 69 99.278 1.642 6.083 1.00 0.00 C ATOM 1092 CD1 TYR A 69 99.883 0.411 6.306 1.00 0.00 C ATOM 1093 CD2 TYR A 69 100.036 2.646 5.496 1.00 0.00 C ATOM 1094 CE1 TYR A 69 101.197 0.189 5.954 1.00 0.00 C ATOM 1095 CE2 TYR A 69 101.351 2.431 5.143 1.00 0.00 C ATOM 1096 CZ TYR A 69 101.928 1.202 5.372 1.00 0.00 C ATOM 1097 OH TYR A 69 103.239 0.985 5.018 1.00 0.00 O ATOM 0 H TYR A 69 99.107 2.468 9.110 1.00 0.00 H new ATOM 0 HA TYR A 69 96.448 1.894 8.092 1.00 0.00 H new ATOM 0 HB2 TYR A 69 97.209 1.187 5.892 1.00 0.00 H new ATOM 0 HB3 TYR A 69 97.555 2.888 6.134 1.00 0.00 H new ATOM 0 HD1 TYR A 69 99.314 -0.385 6.763 1.00 0.00 H new ATOM 0 HD2 TYR A 69 99.588 3.611 5.313 1.00 0.00 H new ATOM 0 HE1 TYR A 69 101.652 -0.774 6.133 1.00 0.00 H new ATOM 0 HE2 TYR A 69 101.927 3.224 4.688 1.00 0.00 H new ATOM 0 HH TYR A 69 103.567 0.174 5.459 1.00 0.00 H new ATOM 1107 N LEU A 70 98.421 0.201 9.604 1.00 0.00 N ATOM 1108 CA LEU A 70 98.759 -1.106 10.166 1.00 0.00 C ATOM 1109 C LEU A 70 97.732 -2.161 9.762 1.00 0.00 C ATOM 1110 O LEU A 70 96.723 -2.350 10.440 1.00 0.00 O ATOM 1111 CB LEU A 70 98.837 -1.028 11.691 1.00 0.00 C ATOM 1112 CG LEU A 70 100.087 -0.347 12.241 1.00 0.00 C ATOM 1113 CD1 LEU A 70 101.315 -0.757 11.444 1.00 0.00 C ATOM 1114 CD2 LEU A 70 99.915 1.163 12.222 1.00 0.00 C ATOM 0 H LEU A 70 98.676 0.993 10.195 1.00 0.00 H new ATOM 0 HA LEU A 70 99.732 -1.396 9.769 1.00 0.00 H new ATOM 0 HB2 LEU A 70 97.960 -0.494 12.057 1.00 0.00 H new ATOM 0 HB3 LEU A 70 98.786 -2.039 12.094 1.00 0.00 H new ATOM 0 HG LEU A 70 100.230 -0.666 13.273 1.00 0.00 H new ATOM 0 HD11 LEU A 70 102.196 -0.261 11.852 1.00 0.00 H new ATOM 0 HD12 LEU A 70 101.445 -1.837 11.507 1.00 0.00 H new ATOM 0 HD13 LEU A 70 101.185 -0.467 10.401 1.00 0.00 H new ATOM 0 HD21 LEU A 70 100.814 1.637 12.617 1.00 0.00 H new ATOM 0 HD22 LEU A 70 99.749 1.497 11.198 1.00 0.00 H new ATOM 0 HD23 LEU A 70 99.059 1.439 12.837 1.00 0.00 H new ATOM 1126 N SER A 71 97.997 -2.846 8.654 1.00 0.00 N ATOM 1127 CA SER A 71 97.095 -3.881 8.164 1.00 0.00 C ATOM 1128 C SER A 71 96.725 -4.850 9.281 1.00 0.00 C ATOM 1129 O SER A 71 95.695 -5.522 9.220 1.00 0.00 O ATOM 1130 CB SER A 71 97.742 -4.645 7.007 1.00 0.00 C ATOM 1131 OG SER A 71 97.053 -4.409 5.791 1.00 0.00 O ATOM 0 H SER A 71 98.828 -2.703 8.080 1.00 0.00 H new ATOM 0 HA SER A 71 96.185 -3.397 7.808 1.00 0.00 H new ATOM 0 HB2 SER A 71 98.783 -4.341 6.903 1.00 0.00 H new ATOM 0 HB3 SER A 71 97.742 -5.713 7.227 1.00 0.00 H new ATOM 0 HG SER A 71 97.487 -4.907 5.067 1.00 0.00 H new ATOM 1137 N ARG A 72 97.574 -4.917 10.301 1.00 0.00 N ATOM 1138 CA ARG A 72 97.343 -5.803 11.437 1.00 0.00 C ATOM 1139 C ARG A 72 98.649 -6.090 12.169 1.00 0.00 C ATOM 1140 O ARG A 72 98.793 -5.774 13.351 1.00 0.00 O ATOM 1141 CB ARG A 72 96.709 -7.113 10.968 1.00 0.00 C ATOM 1142 CG ARG A 72 97.309 -7.654 9.681 1.00 0.00 C ATOM 1143 CD ARG A 72 96.231 -8.105 8.709 1.00 0.00 C ATOM 1144 NE ARG A 72 96.437 -9.479 8.262 1.00 0.00 N ATOM 1145 CZ ARG A 72 96.239 -10.543 9.034 1.00 0.00 C ATOM 1146 NH1 ARG A 72 95.831 -10.388 10.286 1.00 0.00 N ATOM 1147 NH2 ARG A 72 96.449 -11.761 8.555 1.00 0.00 N ATOM 0 H ARG A 72 98.431 -4.367 10.365 1.00 0.00 H new ATOM 0 HA ARG A 72 96.660 -5.305 12.125 1.00 0.00 H new ATOM 0 HB2 ARG A 72 96.819 -7.861 11.753 1.00 0.00 H new ATOM 0 HB3 ARG A 72 95.640 -6.958 10.823 1.00 0.00 H new ATOM 0 HG2 ARG A 72 97.923 -6.884 9.213 1.00 0.00 H new ATOM 0 HG3 ARG A 72 97.968 -8.492 9.910 1.00 0.00 H new ATOM 0 HD2 ARG A 72 95.255 -8.022 9.186 1.00 0.00 H new ATOM 0 HD3 ARG A 72 96.221 -7.440 7.845 1.00 0.00 H new ATOM 0 HE ARG A 72 96.750 -9.631 7.303 1.00 0.00 H new ATOM 0 HH11 ARG A 72 95.669 -9.452 10.657 1.00 0.00 H new ATOM 0 HH12 ARG A 72 95.679 -11.205 10.878 1.00 0.00 H new ATOM 0 HH21 ARG A 72 96.763 -11.883 7.592 1.00 0.00 H new ATOM 0 HH22 ARG A 72 96.296 -12.576 9.149 1.00 0.00 H new ATOM 1161 N LEU A 73 99.599 -6.685 11.456 1.00 0.00 N ATOM 1162 CA LEU A 73 100.898 -7.012 12.034 1.00 0.00 C ATOM 1163 C LEU A 73 102.003 -6.874 10.993 1.00 0.00 C ATOM 1164 O LEU A 73 102.049 -7.625 10.019 1.00 0.00 O ATOM 1165 CB LEU A 73 100.889 -8.434 12.600 1.00 0.00 C ATOM 1166 CG LEU A 73 99.513 -9.098 12.668 1.00 0.00 C ATOM 1167 CD1 LEU A 73 99.207 -9.829 11.370 1.00 0.00 C ATOM 1168 CD2 LEU A 73 99.442 -10.053 13.850 1.00 0.00 C ATOM 0 H LEU A 73 99.494 -6.951 10.477 1.00 0.00 H new ATOM 0 HA LEU A 73 101.094 -6.310 12.844 1.00 0.00 H new ATOM 0 HB2 LEU A 73 101.545 -9.055 11.990 1.00 0.00 H new ATOM 0 HB3 LEU A 73 101.314 -8.411 13.603 1.00 0.00 H new ATOM 0 HG LEU A 73 98.762 -8.321 12.807 1.00 0.00 H new ATOM 0 HD11 LEU A 73 98.224 -10.295 11.438 1.00 0.00 H new ATOM 0 HD12 LEU A 73 99.216 -9.120 10.542 1.00 0.00 H new ATOM 0 HD13 LEU A 73 99.961 -10.597 11.198 1.00 0.00 H new ATOM 0 HD21 LEU A 73 98.456 -10.517 13.884 1.00 0.00 H new ATOM 0 HD22 LEU A 73 100.203 -10.825 13.740 1.00 0.00 H new ATOM 0 HD23 LEU A 73 99.616 -9.502 14.774 1.00 0.00 H new ATOM 1180 N LEU A 74 102.889 -5.907 11.204 1.00 0.00 N ATOM 1181 CA LEU A 74 103.994 -5.668 10.282 1.00 0.00 C ATOM 1182 C LEU A 74 104.832 -6.929 10.097 1.00 0.00 C ATOM 1183 O LEU A 74 105.333 -7.198 9.004 1.00 0.00 O ATOM 1184 CB LEU A 74 104.874 -4.526 10.795 1.00 0.00 C ATOM 1185 CG LEU A 74 104.181 -3.167 10.890 1.00 0.00 C ATOM 1186 CD1 LEU A 74 104.926 -2.253 11.851 1.00 0.00 C ATOM 1187 CD2 LEU A 74 104.079 -2.524 9.514 1.00 0.00 C ATOM 0 H LEU A 74 102.864 -5.276 12.005 1.00 0.00 H new ATOM 0 HA LEU A 74 103.575 -5.389 9.315 1.00 0.00 H new ATOM 0 HB2 LEU A 74 105.252 -4.794 11.782 1.00 0.00 H new ATOM 0 HB3 LEU A 74 105.739 -4.431 10.138 1.00 0.00 H new ATOM 0 HG LEU A 74 103.173 -3.321 11.275 1.00 0.00 H new ATOM 0 HD11 LEU A 74 104.418 -1.290 11.905 1.00 0.00 H new ATOM 0 HD12 LEU A 74 104.949 -2.708 12.841 1.00 0.00 H new ATOM 0 HD13 LEU A 74 105.946 -2.105 11.496 1.00 0.00 H new ATOM 0 HD21 LEU A 74 103.583 -1.557 9.600 1.00 0.00 H new ATOM 0 HD22 LEU A 74 105.079 -2.384 9.103 1.00 0.00 H new ATOM 0 HD23 LEU A 74 103.502 -3.170 8.852 1.00 0.00 H new ATOM 1199 N GLU A 75 104.981 -7.699 11.170 1.00 0.00 N ATOM 1200 CA GLU A 75 105.759 -8.931 11.125 1.00 0.00 C ATOM 1201 C GLU A 75 105.060 -9.986 10.273 1.00 0.00 C ATOM 1202 O GLU A 75 105.680 -10.958 9.840 1.00 0.00 O ATOM 1203 CB GLU A 75 105.982 -9.469 12.540 1.00 0.00 C ATOM 1204 CG GLU A 75 107.006 -8.675 13.337 1.00 0.00 C ATOM 1205 CD GLU A 75 108.348 -9.374 13.419 1.00 0.00 C ATOM 1206 OE1 GLU A 75 109.181 -9.171 12.511 1.00 0.00 O ATOM 1207 OE2 GLU A 75 108.568 -10.126 14.393 1.00 0.00 O ATOM 0 H GLU A 75 104.573 -7.491 12.081 1.00 0.00 H new ATOM 0 HA GLU A 75 106.724 -8.705 10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 75 105.033 -9.464 13.076 1.00 0.00 H new ATOM 0 HB3 GLU A 75 106.307 -10.507 12.478 1.00 0.00 H new ATOM 0 HG2 GLU A 75 107.138 -7.695 12.878 1.00 0.00 H new ATOM 0 HG3 GLU A 75 106.626 -8.506 14.345 1.00 0.00 H new ATOM 1214 N GLU A 76 103.767 -9.789 10.037 1.00 0.00 N ATOM 1215 CA GLU A 76 102.985 -10.725 9.238 1.00 0.00 C ATOM 1216 C GLU A 76 102.826 -10.221 7.807 1.00 0.00 C ATOM 1217 O GLU A 76 102.971 -10.982 6.850 1.00 0.00 O ATOM 1218 CB GLU A 76 101.609 -10.942 9.870 1.00 0.00 C ATOM 1219 CG GLU A 76 101.558 -12.125 10.824 1.00 0.00 C ATOM 1220 CD GLU A 76 100.375 -13.036 10.560 1.00 0.00 C ATOM 1221 OE1 GLU A 76 99.564 -12.711 9.668 1.00 0.00 O ATOM 1222 OE2 GLU A 76 100.263 -14.074 11.245 1.00 0.00 O ATOM 0 H GLU A 76 103.239 -8.990 10.388 1.00 0.00 H new ATOM 0 HA GLU A 76 103.520 -11.675 9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 76 101.319 -10.039 10.408 1.00 0.00 H new ATOM 0 HB3 GLU A 76 100.874 -11.092 9.079 1.00 0.00 H new ATOM 0 HG2 GLU A 76 102.481 -12.699 10.735 1.00 0.00 H new ATOM 0 HG3 GLU A 76 101.508 -11.758 11.849 1.00 0.00 H new ATOM 1229 N LEU A 77 102.529 -8.933 7.668 1.00 0.00 N ATOM 1230 CA LEU A 77 102.350 -8.327 6.354 1.00 0.00 C ATOM 1231 C LEU A 77 103.362 -8.884 5.357 1.00 0.00 C ATOM 1232 O LEU A 77 104.369 -9.475 5.745 1.00 0.00 O ATOM 1233 CB LEU A 77 102.493 -6.806 6.448 1.00 0.00 C ATOM 1234 CG LEU A 77 101.395 -6.007 5.743 1.00 0.00 C ATOM 1235 CD1 LEU A 77 101.206 -4.655 6.412 1.00 0.00 C ATOM 1236 CD2 LEU A 77 101.727 -5.833 4.269 1.00 0.00 C ATOM 0 H LEU A 77 102.407 -8.289 8.449 1.00 0.00 H new ATOM 0 HA LEU A 77 101.348 -8.570 6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 77 102.509 -6.522 7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 77 103.457 -6.520 6.026 1.00 0.00 H new ATOM 0 HG LEU A 77 100.460 -6.562 5.822 1.00 0.00 H new ATOM 0 HD11 LEU A 77 100.421 -4.101 5.897 1.00 0.00 H new ATOM 0 HD12 LEU A 77 100.923 -4.801 7.454 1.00 0.00 H new ATOM 0 HD13 LEU A 77 102.138 -4.092 6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 77 100.936 -5.263 3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 77 102.672 -5.300 4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 77 101.811 -6.812 3.797 1.00 0.00 H new ATOM 1248 N GLY A 78 103.086 -8.691 4.071 1.00 0.00 N ATOM 1249 CA GLY A 78 103.981 -9.179 3.039 1.00 0.00 C ATOM 1250 C GLY A 78 105.440 -9.078 3.443 1.00 0.00 C ATOM 1251 O GLY A 78 105.993 -7.982 3.523 1.00 0.00 O ATOM 0 H GLY A 78 102.258 -8.205 3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 78 103.740 -10.218 2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 78 103.820 -8.610 2.123 1.00 0.00 H new ATOM 1255 N GLN A 79 106.061 -10.223 3.702 1.00 0.00 N ATOM 1256 CA GLN A 79 107.463 -10.257 4.102 1.00 0.00 C ATOM 1257 C GLN A 79 108.297 -9.298 3.258 1.00 0.00 C ATOM 1258 O GLN A 79 108.799 -8.292 3.760 1.00 0.00 O ATOM 1259 CB GLN A 79 108.017 -11.677 3.981 1.00 0.00 C ATOM 1260 CG GLN A 79 107.909 -12.483 5.265 1.00 0.00 C ATOM 1261 CD GLN A 79 109.239 -12.622 5.981 1.00 0.00 C ATOM 1262 OE1 GLN A 79 109.747 -13.728 6.164 1.00 0.00 O ATOM 1263 NE2 GLN A 79 109.810 -11.495 6.393 1.00 0.00 N ATOM 0 H GLN A 79 105.617 -11.139 3.642 1.00 0.00 H new ATOM 0 HA GLN A 79 107.523 -9.939 5.143 1.00 0.00 H new ATOM 0 HB2 GLN A 79 107.483 -12.200 3.187 1.00 0.00 H new ATOM 0 HB3 GLN A 79 109.064 -11.626 3.681 1.00 0.00 H new ATOM 0 HG2 GLN A 79 107.191 -12.004 5.931 1.00 0.00 H new ATOM 0 HG3 GLN A 79 107.519 -13.475 5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 79 109.354 -10.599 6.220 1.00 0.00 H new ATOM 0 HE22 GLN A 79 110.705 -11.526 6.882 1.00 0.00 H new ATOM 1272 N VAL A 80 108.444 -9.616 1.976 1.00 0.00 N ATOM 1273 CA VAL A 80 109.225 -8.780 1.069 1.00 0.00 C ATOM 1274 C VAL A 80 108.513 -7.467 0.766 1.00 0.00 C ATOM 1275 O VAL A 80 109.101 -6.391 0.883 1.00 0.00 O ATOM 1276 CB VAL A 80 109.515 -9.489 -0.271 1.00 0.00 C ATOM 1277 CG1 VAL A 80 110.847 -10.220 -0.216 1.00 0.00 C ATOM 1278 CG2 VAL A 80 108.388 -10.442 -0.642 1.00 0.00 C ATOM 0 H VAL A 80 108.035 -10.443 1.542 1.00 0.00 H new ATOM 0 HA VAL A 80 110.165 -8.583 1.584 1.00 0.00 H new ATOM 0 HB VAL A 80 109.577 -8.727 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 80 111.031 -10.713 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 80 111.646 -9.506 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 80 110.820 -10.966 0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 80 108.619 -10.927 -1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 80 108.280 -11.198 0.136 1.00 0.00 H new ATOM 0 HG23 VAL A 80 107.456 -9.884 -0.738 1.00 0.00 H new ATOM 1288 N GLU A 81 107.249 -7.558 0.369 1.00 0.00 N ATOM 1289 CA GLU A 81 106.473 -6.372 0.033 1.00 0.00 C ATOM 1290 C GLU A 81 106.476 -5.374 1.182 1.00 0.00 C ATOM 1291 O GLU A 81 106.779 -4.196 0.986 1.00 0.00 O ATOM 1292 CB GLU A 81 105.036 -6.759 -0.317 1.00 0.00 C ATOM 1293 CG GLU A 81 104.684 -6.533 -1.779 1.00 0.00 C ATOM 1294 CD GLU A 81 103.189 -6.561 -2.029 1.00 0.00 C ATOM 1295 OE1 GLU A 81 102.442 -5.949 -1.237 1.00 0.00 O ATOM 1296 OE2 GLU A 81 102.765 -7.198 -3.017 1.00 0.00 O ATOM 0 H GLU A 81 106.742 -8.438 0.272 1.00 0.00 H new ATOM 0 HA GLU A 81 106.937 -5.901 -0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 81 104.882 -7.810 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 81 104.351 -6.183 0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 81 105.085 -5.572 -2.101 1.00 0.00 H new ATOM 0 HG3 GLU A 81 105.165 -7.299 -2.387 1.00 0.00 H new ATOM 1303 N LYS A 82 106.163 -5.845 2.381 1.00 0.00 N ATOM 1304 CA LYS A 82 106.147 -4.974 3.546 1.00 0.00 C ATOM 1305 C LYS A 82 107.504 -4.313 3.712 1.00 0.00 C ATOM 1306 O LYS A 82 107.596 -3.135 4.056 1.00 0.00 O ATOM 1307 CB LYS A 82 105.792 -5.765 4.808 1.00 0.00 C ATOM 1308 CG LYS A 82 105.526 -4.889 6.023 1.00 0.00 C ATOM 1309 CD LYS A 82 106.750 -4.069 6.401 1.00 0.00 C ATOM 1310 CE LYS A 82 106.867 -3.901 7.908 1.00 0.00 C ATOM 1311 NZ LYS A 82 107.092 -5.202 8.596 1.00 0.00 N ATOM 0 H LYS A 82 105.919 -6.817 2.571 1.00 0.00 H new ATOM 0 HA LYS A 82 105.388 -4.206 3.396 1.00 0.00 H new ATOM 0 HB2 LYS A 82 104.909 -6.373 4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 82 106.607 -6.452 5.037 1.00 0.00 H new ATOM 0 HG2 LYS A 82 104.690 -4.221 5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 82 105.232 -5.514 6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 82 107.647 -4.555 6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 82 106.692 -3.089 5.928 1.00 0.00 H new ATOM 0 HE2 LYS A 82 107.690 -3.223 8.135 1.00 0.00 H new ATOM 0 HE3 LYS A 82 105.958 -3.439 8.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 107.448 -5.029 9.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 106.196 -5.727 8.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 107.789 -5.760 8.063 1.00 0.00 H new ATOM 1325 N ALA A 83 108.557 -5.073 3.439 1.00 0.00 N ATOM 1326 CA ALA A 83 109.908 -4.552 3.535 1.00 0.00 C ATOM 1327 C ALA A 83 110.171 -3.565 2.407 1.00 0.00 C ATOM 1328 O ALA A 83 110.812 -2.532 2.603 1.00 0.00 O ATOM 1329 CB ALA A 83 110.919 -5.687 3.497 1.00 0.00 C ATOM 0 H ALA A 83 108.498 -6.050 3.150 1.00 0.00 H new ATOM 0 HA ALA A 83 110.014 -4.030 4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 83 111.927 -5.279 3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 83 110.739 -6.362 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 83 110.816 -6.235 2.560 1.00 0.00 H new ATOM 1335 N VAL A 84 109.656 -3.890 1.223 1.00 0.00 N ATOM 1336 CA VAL A 84 109.832 -3.045 0.053 1.00 0.00 C ATOM 1337 C VAL A 84 109.302 -1.647 0.314 1.00 0.00 C ATOM 1338 O VAL A 84 109.960 -0.650 0.012 1.00 0.00 O ATOM 1339 CB VAL A 84 109.108 -3.637 -1.171 1.00 0.00 C ATOM 1340 CG1 VAL A 84 107.840 -2.854 -1.476 1.00 0.00 C ATOM 1341 CG2 VAL A 84 110.032 -3.666 -2.378 1.00 0.00 C ATOM 0 H VAL A 84 109.112 -4.736 1.052 1.00 0.00 H new ATOM 0 HA VAL A 84 110.901 -2.995 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 84 108.823 -4.663 -0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 84 107.344 -3.289 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 84 107.171 -2.896 -0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 84 108.095 -1.815 -1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 84 109.502 -4.088 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 84 110.353 -2.652 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 84 110.904 -4.280 -2.154 1.00 0.00 H new ATOM 1351 N LEU A 85 108.111 -1.581 0.883 1.00 0.00 N ATOM 1352 CA LEU A 85 107.485 -0.311 1.201 1.00 0.00 C ATOM 1353 C LEU A 85 108.218 0.387 2.342 1.00 0.00 C ATOM 1354 O LEU A 85 108.264 1.615 2.399 1.00 0.00 O ATOM 1355 CB LEU A 85 106.017 -0.520 1.575 1.00 0.00 C ATOM 1356 CG LEU A 85 105.100 -0.917 0.416 1.00 0.00 C ATOM 1357 CD1 LEU A 85 103.939 -1.760 0.921 1.00 0.00 C ATOM 1358 CD2 LEU A 85 104.589 0.320 -0.306 1.00 0.00 C ATOM 0 H LEU A 85 107.555 -2.398 1.135 1.00 0.00 H new ATOM 0 HA LEU A 85 107.540 0.323 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 85 105.960 -1.292 2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 85 105.637 0.400 2.019 1.00 0.00 H new ATOM 0 HG LEU A 85 105.676 -1.514 -0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 85 103.297 -2.034 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 85 104.324 -2.664 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 85 103.363 -1.188 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 85 103.938 0.019 -1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 85 104.029 0.943 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 85 105.433 0.886 -0.700 1.00 0.00 H new ATOM 1370 N ARG A 86 108.788 -0.400 3.254 1.00 0.00 N ATOM 1371 CA ARG A 86 109.492 0.165 4.399 1.00 0.00 C ATOM 1372 C ARG A 86 110.610 1.086 3.945 1.00 0.00 C ATOM 1373 O ARG A 86 110.728 2.215 4.425 1.00 0.00 O ATOM 1374 CB ARG A 86 110.060 -0.952 5.277 1.00 0.00 C ATOM 1375 CG ARG A 86 110.330 -0.523 6.710 1.00 0.00 C ATOM 1376 CD ARG A 86 109.154 -0.844 7.618 1.00 0.00 C ATOM 1377 NE ARG A 86 109.588 -1.281 8.942 1.00 0.00 N ATOM 1378 CZ ARG A 86 109.984 -2.520 9.215 1.00 0.00 C ATOM 1379 NH1 ARG A 86 109.999 -3.439 8.259 1.00 0.00 N ATOM 1380 NH2 ARG A 86 110.365 -2.840 10.444 1.00 0.00 N ATOM 0 H ARG A 86 108.776 -1.419 3.222 1.00 0.00 H new ATOM 0 HA ARG A 86 108.779 0.748 4.982 1.00 0.00 H new ATOM 0 HB2 ARG A 86 109.361 -1.789 5.283 1.00 0.00 H new ATOM 0 HB3 ARG A 86 110.988 -1.314 4.834 1.00 0.00 H new ATOM 0 HG2 ARG A 86 111.224 -1.026 7.079 1.00 0.00 H new ATOM 0 HG3 ARG A 86 110.532 0.548 6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 86 108.521 0.038 7.717 1.00 0.00 H new ATOM 0 HD3 ARG A 86 108.545 -1.624 7.160 1.00 0.00 H new ATOM 0 HE ARG A 86 109.587 -0.598 9.699 1.00 0.00 H new ATOM 0 HH11 ARG A 86 109.706 -3.195 7.313 1.00 0.00 H new ATOM 0 HH12 ARG A 86 110.303 -4.389 8.470 1.00 0.00 H new ATOM 0 HH21 ARG A 86 110.354 -2.135 11.181 1.00 0.00 H new ATOM 0 HH22 ARG A 86 110.669 -3.791 10.652 1.00 0.00 H new ATOM 1394 N ILE A 87 111.413 0.621 3.004 1.00 0.00 N ATOM 1395 CA ILE A 87 112.498 1.432 2.484 1.00 0.00 C ATOM 1396 C ILE A 87 111.939 2.633 1.736 1.00 0.00 C ATOM 1397 O ILE A 87 112.516 3.722 1.765 1.00 0.00 O ATOM 1398 CB ILE A 87 113.409 0.625 1.539 1.00 0.00 C ATOM 1399 CG1 ILE A 87 113.433 -0.849 1.948 1.00 0.00 C ATOM 1400 CG2 ILE A 87 114.817 1.203 1.541 1.00 0.00 C ATOM 1401 CD1 ILE A 87 112.678 -1.751 0.995 1.00 0.00 C ATOM 0 H ILE A 87 111.335 -0.307 2.587 1.00 0.00 H new ATOM 0 HA ILE A 87 113.094 1.766 3.333 1.00 0.00 H new ATOM 0 HB ILE A 87 113.008 0.694 0.528 1.00 0.00 H new ATOM 0 HG12 ILE A 87 114.468 -1.184 2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 87 113.006 -0.948 2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 87 115.449 0.623 0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 87 114.785 2.239 1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 87 115.226 1.161 2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 87 112.736 -2.781 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 87 111.634 -1.441 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 87 113.119 -1.681 0.001 1.00 0.00 H new ATOM 1413 N ALA A 88 110.797 2.432 1.080 1.00 0.00 N ATOM 1414 CA ALA A 88 110.154 3.497 0.330 1.00 0.00 C ATOM 1415 C ALA A 88 109.787 4.651 1.246 1.00 0.00 C ATOM 1416 O ALA A 88 109.770 5.809 0.831 1.00 0.00 O ATOM 1417 CB ALA A 88 108.917 2.971 -0.383 1.00 0.00 C ATOM 0 H ALA A 88 110.302 1.540 1.056 1.00 0.00 H new ATOM 0 HA ALA A 88 110.857 3.863 -0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 88 108.446 3.781 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 88 109.204 2.176 -1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 88 108.213 2.579 0.351 1.00 0.00 H new ATOM 1423 N LEU A 89 109.504 4.326 2.500 1.00 0.00 N ATOM 1424 CA LEU A 89 109.140 5.335 3.475 1.00 0.00 C ATOM 1425 C LEU A 89 110.278 6.331 3.656 1.00 0.00 C ATOM 1426 O LEU A 89 110.061 7.544 3.676 1.00 0.00 O ATOM 1427 CB LEU A 89 108.797 4.676 4.815 1.00 0.00 C ATOM 1428 CG LEU A 89 107.673 3.637 4.758 1.00 0.00 C ATOM 1429 CD1 LEU A 89 107.423 3.043 6.137 1.00 0.00 C ATOM 1430 CD2 LEU A 89 106.400 4.259 4.203 1.00 0.00 C ATOM 0 H LEU A 89 109.520 3.373 2.862 1.00 0.00 H new ATOM 0 HA LEU A 89 108.263 5.870 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 89 109.694 4.197 5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 89 108.516 5.455 5.524 1.00 0.00 H new ATOM 0 HG LEU A 89 107.981 2.833 4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 89 106.621 2.307 6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 89 108.332 2.560 6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 89 107.136 3.836 6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 89 105.612 3.507 4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 89 106.088 5.083 4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 89 106.587 4.634 3.197 1.00 0.00 H new ATOM 1442 N TYR A 90 111.497 5.817 3.769 1.00 0.00 N ATOM 1443 CA TYR A 90 112.660 6.674 3.939 1.00 0.00 C ATOM 1444 C TYR A 90 112.875 7.544 2.707 1.00 0.00 C ATOM 1445 O TYR A 90 113.416 8.646 2.800 1.00 0.00 O ATOM 1446 CB TYR A 90 113.913 5.847 4.227 1.00 0.00 C ATOM 1447 CG TYR A 90 114.788 6.432 5.317 1.00 0.00 C ATOM 1448 CD1 TYR A 90 114.614 7.743 5.754 1.00 0.00 C ATOM 1449 CD2 TYR A 90 115.790 5.673 5.911 1.00 0.00 C ATOM 1450 CE1 TYR A 90 115.412 8.274 6.748 1.00 0.00 C ATOM 1451 CE2 TYR A 90 116.591 6.199 6.908 1.00 0.00 C ATOM 1452 CZ TYR A 90 116.398 7.500 7.322 1.00 0.00 C ATOM 1453 OH TYR A 90 117.193 8.028 8.313 1.00 0.00 O ATOM 0 H TYR A 90 111.703 4.818 3.746 1.00 0.00 H new ATOM 0 HA TYR A 90 112.473 7.323 4.795 1.00 0.00 H new ATOM 0 HB2 TYR A 90 113.615 4.839 4.514 1.00 0.00 H new ATOM 0 HB3 TYR A 90 114.498 5.758 3.312 1.00 0.00 H new ATOM 0 HD1 TYR A 90 113.843 8.354 5.308 1.00 0.00 H new ATOM 0 HD2 TYR A 90 115.946 4.654 5.588 1.00 0.00 H new ATOM 0 HE1 TYR A 90 115.264 9.293 7.075 1.00 0.00 H new ATOM 0 HE2 TYR A 90 117.363 5.594 7.360 1.00 0.00 H new ATOM 0 HH TYR A 90 117.666 7.304 8.774 1.00 0.00 H new ATOM 1463 N GLU A 91 112.451 7.040 1.553 1.00 0.00 N ATOM 1464 CA GLU A 91 112.605 7.773 0.304 1.00 0.00 C ATOM 1465 C GLU A 91 112.014 9.173 0.422 1.00 0.00 C ATOM 1466 O GLU A 91 112.579 10.140 -0.087 1.00 0.00 O ATOM 1467 CB GLU A 91 111.930 7.017 -0.841 1.00 0.00 C ATOM 1468 CG GLU A 91 112.877 6.655 -1.973 1.00 0.00 C ATOM 1469 CD GLU A 91 113.878 7.755 -2.268 1.00 0.00 C ATOM 1470 OE1 GLU A 91 113.493 8.749 -2.918 1.00 0.00 O ATOM 1471 OE2 GLU A 91 115.047 7.621 -1.851 1.00 0.00 O ATOM 0 H GLU A 91 112.000 6.130 1.458 1.00 0.00 H new ATOM 0 HA GLU A 91 113.670 7.863 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 91 111.481 6.105 -0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 91 111.118 7.626 -1.238 1.00 0.00 H new ATOM 0 HG2 GLU A 91 113.412 5.741 -1.716 1.00 0.00 H new ATOM 0 HG3 GLU A 91 112.299 6.444 -2.872 1.00 0.00 H new ATOM 1478 N LEU A 92 110.875 9.277 1.100 1.00 0.00 N ATOM 1479 CA LEU A 92 110.214 10.563 1.283 1.00 0.00 C ATOM 1480 C LEU A 92 111.007 11.455 2.233 1.00 0.00 C ATOM 1481 O LEU A 92 110.911 12.682 2.178 1.00 0.00 O ATOM 1482 CB LEU A 92 108.799 10.351 1.813 1.00 0.00 C ATOM 1483 CG LEU A 92 108.019 9.234 1.119 1.00 0.00 C ATOM 1484 CD1 LEU A 92 107.644 8.145 2.110 1.00 0.00 C ATOM 1485 CD2 LEU A 92 106.781 9.794 0.441 1.00 0.00 C ATOM 0 H LEU A 92 110.392 8.488 1.530 1.00 0.00 H new ATOM 0 HA LEU A 92 110.161 11.063 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 92 108.854 10.130 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 92 108.243 11.283 1.709 1.00 0.00 H new ATOM 0 HG LEU A 92 108.658 8.791 0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 92 107.090 7.360 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 92 108.549 7.723 2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 92 107.024 8.569 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 92 106.237 8.986 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 92 106.139 10.264 1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 92 107.077 10.534 -0.302 1.00 0.00 H new ATOM 1497 N SER A 93 111.783 10.830 3.112 1.00 0.00 N ATOM 1498 CA SER A 93 112.587 11.561 4.082 1.00 0.00 C ATOM 1499 C SER A 93 113.816 12.186 3.428 1.00 0.00 C ATOM 1500 O SER A 93 114.370 13.160 3.936 1.00 0.00 O ATOM 1501 CB SER A 93 113.018 10.635 5.219 1.00 0.00 C ATOM 1502 OG SER A 93 114.421 10.436 5.211 1.00 0.00 O ATOM 0 H SER A 93 111.872 9.816 3.172 1.00 0.00 H new ATOM 0 HA SER A 93 111.971 12.365 4.485 1.00 0.00 H new ATOM 0 HB2 SER A 93 112.714 11.062 6.175 1.00 0.00 H new ATOM 0 HB3 SER A 93 112.511 9.675 5.122 1.00 0.00 H new ATOM 0 HG SER A 93 114.632 9.580 5.638 1.00 0.00 H new ATOM 1508 N LYS A 94 114.244 11.616 2.306 1.00 0.00 N ATOM 1509 CA LYS A 94 115.415 12.121 1.599 1.00 0.00 C ATOM 1510 C LYS A 94 115.164 12.221 0.097 1.00 0.00 C ATOM 1511 O LYS A 94 116.104 12.245 -0.696 1.00 0.00 O ATOM 1512 CB LYS A 94 116.621 11.218 1.866 1.00 0.00 C ATOM 1513 CG LYS A 94 116.580 10.534 3.223 1.00 0.00 C ATOM 1514 CD LYS A 94 117.058 11.462 4.329 1.00 0.00 C ATOM 1515 CE LYS A 94 117.310 10.703 5.623 1.00 0.00 C ATOM 1516 NZ LYS A 94 118.171 9.507 5.406 1.00 0.00 N ATOM 0 H LYS A 94 113.800 10.808 1.869 1.00 0.00 H new ATOM 0 HA LYS A 94 115.622 13.124 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 94 116.675 10.458 1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 94 117.532 11.812 1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 94 115.562 10.206 3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 94 117.204 9.641 3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 94 117.974 11.962 4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 94 116.313 12.239 4.501 1.00 0.00 H new ATOM 0 HE2 LYS A 94 117.785 11.366 6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 94 116.358 10.392 6.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 118.856 9.426 6.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 117.578 8.653 5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 118.681 9.605 4.505 1.00 0.00 H new ATOM 1530 N ARG A 95 113.893 12.283 -0.290 1.00 0.00 N ATOM 1531 CA ARG A 95 113.537 12.384 -1.702 1.00 0.00 C ATOM 1532 C ARG A 95 114.270 13.550 -2.359 1.00 0.00 C ATOM 1533 O ARG A 95 113.946 14.713 -2.119 1.00 0.00 O ATOM 1534 CB ARG A 95 112.024 12.554 -1.876 1.00 0.00 C ATOM 1535 CG ARG A 95 111.332 13.193 -0.682 1.00 0.00 C ATOM 1536 CD ARG A 95 112.009 14.489 -0.268 1.00 0.00 C ATOM 1537 NE ARG A 95 111.511 14.981 1.014 1.00 0.00 N ATOM 1538 CZ ARG A 95 112.157 15.869 1.763 1.00 0.00 C ATOM 1539 NH1 ARG A 95 113.322 16.358 1.360 1.00 0.00 N ATOM 1540 NH2 ARG A 95 111.638 16.268 2.916 1.00 0.00 N ATOM 0 H ARG A 95 113.098 12.265 0.349 1.00 0.00 H new ATOM 0 HA ARG A 95 113.840 11.457 -2.189 1.00 0.00 H new ATOM 0 HB2 ARG A 95 111.837 13.163 -2.760 1.00 0.00 H new ATOM 0 HB3 ARG A 95 111.578 11.577 -2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 95 110.289 13.390 -0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 95 111.335 12.496 0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 95 113.085 14.331 -0.202 1.00 0.00 H new ATOM 0 HD3 ARG A 95 111.844 15.245 -1.035 1.00 0.00 H new ATOM 0 HE ARG A 95 110.618 14.623 1.353 1.00 0.00 H new ATOM 0 HH11 ARG A 95 113.724 16.053 0.474 1.00 0.00 H new ATOM 0 HH12 ARG A 95 113.816 17.039 1.936 1.00 0.00 H new ATOM 0 HH21 ARG A 95 110.742 15.893 3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 95 112.134 16.949 3.490 1.00 0.00 H new ATOM 1554 N SER A 96 115.262 13.229 -3.182 1.00 0.00 N ATOM 1555 CA SER A 96 116.048 14.247 -3.871 1.00 0.00 C ATOM 1556 C SER A 96 115.187 15.450 -4.246 1.00 0.00 C ATOM 1557 O SER A 96 115.014 16.372 -3.448 1.00 0.00 O ATOM 1558 CB SER A 96 116.698 13.656 -5.124 1.00 0.00 C ATOM 1559 OG SER A 96 117.852 12.902 -4.793 1.00 0.00 O ATOM 0 H SER A 96 115.542 12.270 -3.389 1.00 0.00 H new ATOM 0 HA SER A 96 116.828 14.587 -3.190 1.00 0.00 H new ATOM 0 HB2 SER A 96 115.981 13.020 -5.644 1.00 0.00 H new ATOM 0 HB3 SER A 96 116.969 14.459 -5.810 1.00 0.00 H new ATOM 0 HG SER A 96 118.248 12.534 -5.610 1.00 0.00 H new ATOM 1565 N ASP A 97 114.652 15.439 -5.464 1.00 0.00 N ATOM 1566 CA ASP A 97 113.813 16.534 -5.938 1.00 0.00 C ATOM 1567 C ASP A 97 112.383 16.062 -6.179 1.00 0.00 C ATOM 1568 O ASP A 97 111.651 16.648 -6.976 1.00 0.00 O ATOM 1569 CB ASP A 97 114.391 17.124 -7.226 1.00 0.00 C ATOM 1570 CG ASP A 97 114.151 18.617 -7.335 1.00 0.00 C ATOM 1571 OD1 ASP A 97 114.800 19.378 -6.586 1.00 0.00 O ATOM 1572 OD2 ASP A 97 113.317 19.025 -8.170 1.00 0.00 O ATOM 0 H ASP A 97 114.784 14.686 -6.139 1.00 0.00 H new ATOM 0 HA ASP A 97 113.796 17.304 -5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 97 115.462 16.927 -7.264 1.00 0.00 H new ATOM 0 HB3 ASP A 97 113.944 16.623 -8.085 1.00 0.00 H new ATOM 1577 N VAL A 98 111.991 15.000 -5.482 1.00 0.00 N ATOM 1578 CA VAL A 98 110.648 14.451 -5.620 1.00 0.00 C ATOM 1579 C VAL A 98 109.755 14.894 -4.466 1.00 0.00 C ATOM 1580 O VAL A 98 110.196 14.975 -3.320 1.00 0.00 O ATOM 1581 CB VAL A 98 110.674 12.912 -5.670 1.00 0.00 C ATOM 1582 CG1 VAL A 98 109.634 12.329 -4.727 1.00 0.00 C ATOM 1583 CG2 VAL A 98 110.451 12.421 -7.093 1.00 0.00 C ATOM 0 H VAL A 98 112.584 14.504 -4.817 1.00 0.00 H new ATOM 0 HA VAL A 98 110.244 14.831 -6.558 1.00 0.00 H new ATOM 0 HB VAL A 98 111.657 12.572 -5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 98 109.668 11.241 -4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.845 12.653 -3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 98 108.643 12.675 -5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 98 110.473 11.331 -7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 98 109.482 12.770 -7.451 1.00 0.00 H new ATOM 0 HG23 VAL A 98 111.238 12.809 -7.739 1.00 0.00 H new ATOM 1593 N PRO A 99 108.479 15.185 -4.759 1.00 0.00 N ATOM 1594 CA PRO A 99 107.513 15.620 -3.746 1.00 0.00 C ATOM 1595 C PRO A 99 107.295 14.561 -2.671 1.00 0.00 C ATOM 1596 O PRO A 99 107.873 14.634 -1.587 1.00 0.00 O ATOM 1597 CB PRO A 99 106.222 15.848 -4.544 1.00 0.00 C ATOM 1598 CG PRO A 99 106.406 15.079 -5.808 1.00 0.00 C ATOM 1599 CD PRO A 99 107.878 15.109 -6.099 1.00 0.00 C ATOM 0 HA PRO A 99 107.855 16.507 -3.213 1.00 0.00 H new ATOM 0 HB2 PRO A 99 105.350 15.497 -3.992 1.00 0.00 H new ATOM 0 HB3 PRO A 99 106.065 16.908 -4.746 1.00 0.00 H new ATOM 0 HG2 PRO A 99 106.051 14.054 -5.697 1.00 0.00 H new ATOM 0 HG3 PRO A 99 105.838 15.527 -6.623 1.00 0.00 H new ATOM 0 HD2 PRO A 99 108.201 14.217 -6.636 1.00 0.00 H new ATOM 0 HD3 PRO A 99 108.151 15.968 -6.713 1.00 0.00 H new ATOM 1607 N TYR A 100 106.461 13.573 -2.980 1.00 0.00 N ATOM 1608 CA TYR A 100 106.173 12.496 -2.042 1.00 0.00 C ATOM 1609 C TYR A 100 105.168 11.513 -2.634 1.00 0.00 C ATOM 1610 O TYR A 100 105.356 10.298 -2.560 1.00 0.00 O ATOM 1611 CB TYR A 100 105.649 13.065 -0.718 1.00 0.00 C ATOM 1612 CG TYR A 100 104.156 13.313 -0.695 1.00 0.00 C ATOM 1613 CD1 TYR A 100 103.255 12.257 -0.718 1.00 0.00 C ATOM 1614 CD2 TYR A 100 103.647 14.605 -0.642 1.00 0.00 C ATOM 1615 CE1 TYR A 100 101.894 12.477 -0.691 1.00 0.00 C ATOM 1616 CE2 TYR A 100 102.285 14.835 -0.613 1.00 0.00 C ATOM 1617 CZ TYR A 100 101.412 13.767 -0.638 1.00 0.00 C ATOM 1618 OH TYR A 100 100.055 13.991 -0.609 1.00 0.00 O ATOM 0 H TYR A 100 105.973 13.497 -3.873 1.00 0.00 H new ATOM 0 HA TYR A 100 107.101 11.958 -1.847 1.00 0.00 H new ATOM 0 HB2 TYR A 100 105.903 12.375 0.087 1.00 0.00 H new ATOM 0 HB3 TYR A 100 106.165 14.002 -0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 100 103.627 11.244 -0.758 1.00 0.00 H new ATOM 0 HD2 TYR A 100 104.328 15.443 -0.623 1.00 0.00 H new ATOM 0 HE1 TYR A 100 101.209 11.642 -0.711 1.00 0.00 H new ATOM 0 HE2 TYR A 100 101.906 15.845 -0.571 1.00 0.00 H new ATOM 0 HH TYR A 100 99.883 14.955 -0.571 1.00 0.00 H new ATOM 1628 N LYS A 101 104.102 12.043 -3.225 1.00 0.00 N ATOM 1629 CA LYS A 101 103.072 11.207 -3.830 1.00 0.00 C ATOM 1630 C LYS A 101 103.637 10.412 -5.002 1.00 0.00 C ATOM 1631 O LYS A 101 103.153 9.327 -5.319 1.00 0.00 O ATOM 1632 CB LYS A 101 101.898 12.067 -4.301 1.00 0.00 C ATOM 1633 CG LYS A 101 102.209 12.898 -5.533 1.00 0.00 C ATOM 1634 CD LYS A 101 101.324 12.506 -6.706 1.00 0.00 C ATOM 1635 CE LYS A 101 99.892 12.971 -6.502 1.00 0.00 C ATOM 1636 NZ LYS A 101 98.983 12.455 -7.563 1.00 0.00 N ATOM 0 H LYS A 101 103.929 13.046 -3.298 1.00 0.00 H new ATOM 0 HA LYS A 101 102.719 10.505 -3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 101 101.047 11.420 -4.515 1.00 0.00 H new ATOM 0 HB3 LYS A 101 101.597 12.732 -3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 101 102.067 13.955 -5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 101 103.256 12.768 -5.806 1.00 0.00 H new ATOM 0 HD2 LYS A 101 101.721 12.939 -7.624 1.00 0.00 H new ATOM 0 HD3 LYS A 101 101.342 11.423 -6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 101 99.538 12.637 -5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 101 99.862 14.061 -6.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 98.016 12.795 -7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 99.306 12.794 -8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 98.992 11.415 -7.552 1.00 0.00 H new ATOM 1650 N VAL A 102 104.667 10.960 -5.640 1.00 0.00 N ATOM 1651 CA VAL A 102 105.299 10.301 -6.776 1.00 0.00 C ATOM 1652 C VAL A 102 105.859 8.940 -6.376 1.00 0.00 C ATOM 1653 O VAL A 102 105.843 7.996 -7.166 1.00 0.00 O ATOM 1654 CB VAL A 102 106.437 11.157 -7.359 1.00 0.00 C ATOM 1655 CG1 VAL A 102 105.957 12.574 -7.630 1.00 0.00 C ATOM 1656 CG2 VAL A 102 107.636 11.161 -6.423 1.00 0.00 C ATOM 0 H VAL A 102 105.081 11.858 -5.389 1.00 0.00 H new ATOM 0 HA VAL A 102 104.528 10.168 -7.535 1.00 0.00 H new ATOM 0 HB VAL A 102 106.747 10.718 -8.307 1.00 0.00 H new ATOM 0 HG11 VAL A 102 106.776 13.163 -8.042 1.00 0.00 H new ATOM 0 HG12 VAL A 102 105.134 12.549 -8.344 1.00 0.00 H new ATOM 0 HG13 VAL A 102 105.617 13.027 -6.699 1.00 0.00 H new ATOM 0 HG21 VAL A 102 108.431 11.771 -6.852 1.00 0.00 H new ATOM 0 HG22 VAL A 102 107.343 11.574 -5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 102 107.995 10.141 -6.288 1.00 0.00 H new ATOM 1666 N ALA A 103 106.352 8.846 -5.146 1.00 0.00 N ATOM 1667 CA ALA A 103 106.916 7.600 -4.644 1.00 0.00 C ATOM 1668 C ALA A 103 105.856 6.507 -4.589 1.00 0.00 C ATOM 1669 O ALA A 103 106.171 5.318 -4.647 1.00 0.00 O ATOM 1670 CB ALA A 103 107.529 7.814 -3.268 1.00 0.00 C ATOM 0 H ALA A 103 106.372 9.618 -4.479 1.00 0.00 H new ATOM 0 HA ALA A 103 107.699 7.279 -5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 103 107.946 6.875 -2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 103 108.320 8.561 -3.334 1.00 0.00 H new ATOM 0 HB3 ALA A 103 106.760 8.160 -2.577 1.00 0.00 H new ATOM 1676 N ILE A 104 104.597 6.917 -4.477 1.00 0.00 N ATOM 1677 CA ILE A 104 103.486 5.976 -4.412 1.00 0.00 C ATOM 1678 C ILE A 104 103.446 5.089 -5.649 1.00 0.00 C ATOM 1679 O ILE A 104 103.062 3.921 -5.577 1.00 0.00 O ATOM 1680 CB ILE A 104 102.139 6.709 -4.274 1.00 0.00 C ATOM 1681 CG1 ILE A 104 101.982 7.272 -2.860 1.00 0.00 C ATOM 1682 CG2 ILE A 104 100.988 5.774 -4.611 1.00 0.00 C ATOM 1683 CD1 ILE A 104 103.268 7.822 -2.283 1.00 0.00 C ATOM 0 H ILE A 104 104.321 7.898 -4.429 1.00 0.00 H new ATOM 0 HA ILE A 104 103.646 5.356 -3.530 1.00 0.00 H new ATOM 0 HB ILE A 104 102.121 7.540 -4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 104 101.232 8.063 -2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 104 101.606 6.487 -2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 104 100.043 6.308 -4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 104 101.095 5.420 -5.636 1.00 0.00 H new ATOM 0 HG23 ILE A 104 100.999 4.923 -3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 104 103.082 8.204 -1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 104 104.015 7.029 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 104 103.635 8.630 -2.916 1.00 0.00 H new ATOM 1695 N ASN A 105 103.848 5.648 -6.783 1.00 0.00 N ATOM 1696 CA ASN A 105 103.862 4.905 -8.037 1.00 0.00 C ATOM 1697 C ASN A 105 104.808 3.712 -7.952 1.00 0.00 C ATOM 1698 O ASN A 105 104.602 2.695 -8.614 1.00 0.00 O ATOM 1699 CB ASN A 105 104.279 5.821 -9.189 1.00 0.00 C ATOM 1700 CG ASN A 105 103.988 5.213 -10.547 1.00 0.00 C ATOM 1701 OD1 ASN A 105 103.195 4.278 -10.664 1.00 0.00 O ATOM 1702 ND2 ASN A 105 104.628 5.742 -11.582 1.00 0.00 N ATOM 0 H ASN A 105 104.169 6.613 -6.861 1.00 0.00 H new ATOM 0 HA ASN A 105 102.854 4.533 -8.223 1.00 0.00 H new ATOM 0 HB2 ASN A 105 103.755 6.773 -9.100 1.00 0.00 H new ATOM 0 HB3 ASN A 105 105.345 6.036 -9.111 1.00 0.00 H new ATOM 0 HD21 ASN A 105 104.471 5.375 -12.521 1.00 0.00 H new ATOM 0 HD22 ASN A 105 105.277 6.516 -11.439 1.00 0.00 H new ATOM 1709 N GLU A 106 105.849 3.848 -7.137 1.00 0.00 N ATOM 1710 CA GLU A 106 106.836 2.786 -6.968 1.00 0.00 C ATOM 1711 C GLU A 106 106.269 1.620 -6.160 1.00 0.00 C ATOM 1712 O GLU A 106 106.663 0.470 -6.359 1.00 0.00 O ATOM 1713 CB GLU A 106 108.088 3.334 -6.281 1.00 0.00 C ATOM 1714 CG GLU A 106 108.517 4.698 -6.796 1.00 0.00 C ATOM 1715 CD GLU A 106 109.880 4.667 -7.460 1.00 0.00 C ATOM 1716 OE1 GLU A 106 110.158 3.700 -8.199 1.00 0.00 O ATOM 1717 OE2 GLU A 106 110.668 5.611 -7.242 1.00 0.00 O ATOM 0 H GLU A 106 106.032 4.684 -6.582 1.00 0.00 H new ATOM 0 HA GLU A 106 107.099 2.415 -7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 106 107.904 3.401 -5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 106 108.907 2.628 -6.420 1.00 0.00 H new ATOM 0 HG2 GLU A 106 107.778 5.062 -7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 106 108.536 5.406 -5.967 1.00 0.00 H new ATOM 1724 N ALA A 107 105.341 1.916 -5.256 1.00 0.00 N ATOM 1725 CA ALA A 107 104.726 0.886 -4.433 1.00 0.00 C ATOM 1726 C ALA A 107 104.405 -0.338 -5.273 1.00 0.00 C ATOM 1727 O ALA A 107 105.097 -1.356 -5.210 1.00 0.00 O ATOM 1728 CB ALA A 107 103.465 1.422 -3.775 1.00 0.00 C ATOM 0 H ALA A 107 105.000 2.860 -5.076 1.00 0.00 H new ATOM 0 HA ALA A 107 105.429 0.596 -3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 107 103.014 0.641 -3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 107 103.717 2.276 -3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 107 102.758 1.733 -4.544 1.00 0.00 H new ATOM 1734 N ILE A 108 103.347 -0.223 -6.064 1.00 0.00 N ATOM 1735 CA ILE A 108 102.910 -1.308 -6.926 1.00 0.00 C ATOM 1736 C ILE A 108 104.086 -2.013 -7.592 1.00 0.00 C ATOM 1737 O ILE A 108 104.082 -3.233 -7.747 1.00 0.00 O ATOM 1738 CB ILE A 108 101.942 -0.808 -8.014 1.00 0.00 C ATOM 1739 CG1 ILE A 108 100.959 0.207 -7.427 1.00 0.00 C ATOM 1740 CG2 ILE A 108 101.196 -1.976 -8.638 1.00 0.00 C ATOM 1741 CD1 ILE A 108 99.713 0.396 -8.266 1.00 0.00 C ATOM 0 H ILE A 108 102.773 0.618 -6.125 1.00 0.00 H new ATOM 0 HA ILE A 108 102.392 -2.019 -6.283 1.00 0.00 H new ATOM 0 HB ILE A 108 102.521 -0.315 -8.794 1.00 0.00 H new ATOM 0 HG12 ILE A 108 100.669 -0.116 -6.427 1.00 0.00 H new ATOM 0 HG13 ILE A 108 101.463 1.167 -7.317 1.00 0.00 H new ATOM 0 HG21 ILE A 108 100.516 -1.605 -9.405 1.00 0.00 H new ATOM 0 HG22 ILE A 108 101.910 -2.665 -9.089 1.00 0.00 H new ATOM 0 HG23 ILE A 108 100.626 -2.496 -7.868 1.00 0.00 H new ATOM 0 HD11 ILE A 108 99.062 1.129 -7.790 1.00 0.00 H new ATOM 0 HD12 ILE A 108 99.993 0.749 -9.258 1.00 0.00 H new ATOM 0 HD13 ILE A 108 99.186 -0.554 -8.354 1.00 0.00 H new ATOM 1753 N GLU A 109 105.088 -1.238 -7.991 1.00 0.00 N ATOM 1754 CA GLU A 109 106.264 -1.796 -8.648 1.00 0.00 C ATOM 1755 C GLU A 109 106.988 -2.785 -7.739 1.00 0.00 C ATOM 1756 O GLU A 109 107.185 -3.946 -8.099 1.00 0.00 O ATOM 1757 CB GLU A 109 107.219 -0.677 -9.064 1.00 0.00 C ATOM 1758 CG GLU A 109 107.027 -0.214 -10.499 1.00 0.00 C ATOM 1759 CD GLU A 109 108.185 -0.602 -11.397 1.00 0.00 C ATOM 1760 OE1 GLU A 109 108.901 -1.568 -11.059 1.00 0.00 O ATOM 1761 OE2 GLU A 109 108.377 0.060 -12.438 1.00 0.00 O ATOM 0 H GLU A 109 105.110 -0.225 -7.872 1.00 0.00 H new ATOM 0 HA GLU A 109 105.928 -2.331 -9.536 1.00 0.00 H new ATOM 0 HB2 GLU A 109 107.082 0.173 -8.396 1.00 0.00 H new ATOM 0 HB3 GLU A 109 108.245 -1.021 -8.936 1.00 0.00 H new ATOM 0 HG2 GLU A 109 106.106 -0.642 -10.895 1.00 0.00 H new ATOM 0 HG3 GLU A 109 106.907 0.869 -10.514 1.00 0.00 H new ATOM 1768 N LEU A 110 107.378 -2.317 -6.558 1.00 0.00 N ATOM 1769 CA LEU A 110 108.086 -3.158 -5.596 1.00 0.00 C ATOM 1770 C LEU A 110 107.124 -4.064 -4.836 1.00 0.00 C ATOM 1771 O LEU A 110 107.508 -4.720 -3.867 1.00 0.00 O ATOM 1772 CB LEU A 110 108.879 -2.287 -4.621 1.00 0.00 C ATOM 1773 CG LEU A 110 109.063 -0.831 -5.050 1.00 0.00 C ATOM 1774 CD1 LEU A 110 109.950 -0.092 -4.061 1.00 0.00 C ATOM 1775 CD2 LEU A 110 109.649 -0.760 -6.453 1.00 0.00 C ATOM 0 H LEU A 110 107.216 -1.360 -6.243 1.00 0.00 H new ATOM 0 HA LEU A 110 108.777 -3.795 -6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 110 108.377 -2.303 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 110 109.863 -2.734 -4.477 1.00 0.00 H new ATOM 0 HG LEU A 110 108.086 -0.348 -5.061 1.00 0.00 H new ATOM 0 HD11 LEU A 110 110.070 0.943 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 110 109.490 -0.114 -3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 110 110.927 -0.574 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 110 109.774 0.283 -6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 110 110.618 -1.259 -6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 110 108.976 -1.253 -7.154 1.00 0.00 H new ATOM 1787 N ALA A 111 105.875 -4.109 -5.287 1.00 0.00 N ATOM 1788 CA ALA A 111 104.865 -4.946 -4.661 1.00 0.00 C ATOM 1789 C ALA A 111 104.161 -5.811 -5.701 1.00 0.00 C ATOM 1790 O ALA A 111 103.214 -6.531 -5.386 1.00 0.00 O ATOM 1791 CB ALA A 111 103.857 -4.090 -3.911 1.00 0.00 C ATOM 0 H ALA A 111 105.540 -3.572 -6.087 1.00 0.00 H new ATOM 0 HA ALA A 111 105.360 -5.605 -3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 111 103.108 -4.732 -3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 111 104.370 -3.516 -3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 111 103.370 -3.407 -4.607 1.00 0.00 H new ATOM 1797 N LYS A 112 104.631 -5.735 -6.947 1.00 0.00 N ATOM 1798 CA LYS A 112 104.043 -6.514 -8.031 1.00 0.00 C ATOM 1799 C LYS A 112 105.078 -7.447 -8.651 1.00 0.00 C ATOM 1800 O LYS A 112 104.743 -8.527 -9.138 1.00 0.00 O ATOM 1801 CB LYS A 112 103.469 -5.585 -9.103 1.00 0.00 C ATOM 1802 CG LYS A 112 104.528 -4.968 -10.002 1.00 0.00 C ATOM 1803 CD LYS A 112 104.047 -3.662 -10.614 1.00 0.00 C ATOM 1804 CE LYS A 112 102.736 -3.846 -11.361 1.00 0.00 C ATOM 1805 NZ LYS A 112 102.876 -4.791 -12.503 1.00 0.00 N ATOM 0 H LYS A 112 105.414 -5.144 -7.227 1.00 0.00 H new ATOM 0 HA LYS A 112 103.236 -7.118 -7.616 1.00 0.00 H new ATOM 0 HB2 LYS A 112 102.764 -6.145 -9.717 1.00 0.00 H new ATOM 0 HB3 LYS A 112 102.906 -4.787 -8.618 1.00 0.00 H new ATOM 0 HG2 LYS A 112 105.436 -4.789 -9.426 1.00 0.00 H new ATOM 0 HG3 LYS A 112 104.787 -5.669 -10.795 1.00 0.00 H new ATOM 0 HD2 LYS A 112 103.918 -2.917 -9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 112 104.805 -3.278 -11.297 1.00 0.00 H new ATOM 0 HE2 LYS A 112 101.976 -4.217 -10.674 1.00 0.00 H new ATOM 0 HE3 LYS A 112 102.389 -2.880 -11.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 101.984 -4.825 -13.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 103.642 -4.469 -13.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 103.099 -5.741 -12.142 1.00 0.00 H new ATOM 1819 N SER A 113 106.335 -7.021 -8.629 1.00 0.00 N ATOM 1820 CA SER A 113 107.423 -7.814 -9.188 1.00 0.00 C ATOM 1821 C SER A 113 108.406 -8.227 -8.098 1.00 0.00 C ATOM 1822 O SER A 113 109.183 -9.166 -8.268 1.00 0.00 O ATOM 1823 CB SER A 113 108.152 -7.022 -10.272 1.00 0.00 C ATOM 1824 OG SER A 113 108.764 -7.886 -11.213 1.00 0.00 O ATOM 0 H SER A 113 106.627 -6.129 -8.229 1.00 0.00 H new ATOM 0 HA SER A 113 106.996 -8.714 -9.630 1.00 0.00 H new ATOM 0 HB2 SER A 113 107.448 -6.365 -10.782 1.00 0.00 H new ATOM 0 HB3 SER A 113 108.908 -6.384 -9.814 1.00 0.00 H new ATOM 0 HG SER A 113 109.222 -7.354 -11.896 1.00 0.00 H new ATOM 1830 N PHE A 114 108.368 -7.512 -6.979 1.00 0.00 N ATOM 1831 CA PHE A 114 109.255 -7.794 -5.858 1.00 0.00 C ATOM 1832 C PHE A 114 108.580 -8.709 -4.841 1.00 0.00 C ATOM 1833 O PHE A 114 109.249 -9.435 -4.106 1.00 0.00 O ATOM 1834 CB PHE A 114 109.682 -6.489 -5.186 1.00 0.00 C ATOM 1835 CG PHE A 114 110.664 -5.690 -5.994 1.00 0.00 C ATOM 1836 CD1 PHE A 114 110.308 -5.181 -7.232 1.00 0.00 C ATOM 1837 CD2 PHE A 114 111.941 -5.449 -5.515 1.00 0.00 C ATOM 1838 CE1 PHE A 114 111.208 -4.445 -7.979 1.00 0.00 C ATOM 1839 CE2 PHE A 114 112.846 -4.714 -6.257 1.00 0.00 C ATOM 1840 CZ PHE A 114 112.479 -4.212 -7.491 1.00 0.00 C ATOM 0 H PHE A 114 107.730 -6.731 -6.825 1.00 0.00 H new ATOM 0 HA PHE A 114 110.137 -8.305 -6.243 1.00 0.00 H new ATOM 0 HB2 PHE A 114 108.798 -5.880 -4.999 1.00 0.00 H new ATOM 0 HB3 PHE A 114 110.123 -6.717 -4.216 1.00 0.00 H new ATOM 0 HD1 PHE A 114 109.316 -5.361 -7.618 1.00 0.00 H new ATOM 0 HD2 PHE A 114 112.233 -5.840 -4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 114 110.918 -4.053 -8.943 1.00 0.00 H new ATOM 0 HE2 PHE A 114 113.839 -4.532 -5.873 1.00 0.00 H new ATOM 0 HZ PHE A 114 113.185 -3.638 -8.073 1.00 0.00 H new ATOM 1850 N GLY A 115 107.252 -8.669 -4.804 1.00 0.00 N ATOM 1851 CA GLY A 115 106.511 -9.498 -3.872 1.00 0.00 C ATOM 1852 C GLY A 115 105.448 -10.333 -4.558 1.00 0.00 C ATOM 1853 O GLY A 115 105.761 -11.236 -5.333 1.00 0.00 O ATOM 0 H GLY A 115 106.676 -8.077 -5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 115 107.203 -10.156 -3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 115 106.041 -8.864 -3.120 1.00 0.00 H new ATOM 1857 N ALA A 116 104.186 -10.033 -4.269 1.00 0.00 N ATOM 1858 CA ALA A 116 103.071 -10.762 -4.861 1.00 0.00 C ATOM 1859 C ALA A 116 102.383 -9.935 -5.941 1.00 0.00 C ATOM 1860 O ALA A 116 102.719 -8.770 -6.154 1.00 0.00 O ATOM 1861 CB ALA A 116 102.073 -11.164 -3.785 1.00 0.00 C ATOM 0 H ALA A 116 103.910 -9.289 -3.628 1.00 0.00 H new ATOM 0 HA ALA A 116 103.467 -11.663 -5.329 1.00 0.00 H new ATOM 0 HB1 ALA A 116 101.246 -11.708 -4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 116 102.566 -11.802 -3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 116 101.692 -10.271 -3.291 1.00 0.00 H new ATOM 1867 N GLU A 117 101.417 -10.545 -6.619 1.00 0.00 N ATOM 1868 CA GLU A 117 100.679 -9.866 -7.679 1.00 0.00 C ATOM 1869 C GLU A 117 99.248 -9.570 -7.241 1.00 0.00 C ATOM 1870 O GLU A 117 98.753 -8.457 -7.414 1.00 0.00 O ATOM 1871 CB GLU A 117 100.672 -10.717 -8.950 1.00 0.00 C ATOM 1872 CG GLU A 117 100.458 -9.910 -10.220 1.00 0.00 C ATOM 1873 CD GLU A 117 99.350 -10.472 -11.089 1.00 0.00 C ATOM 1874 OE1 GLU A 117 99.095 -11.692 -11.009 1.00 0.00 O ATOM 1875 OE2 GLU A 117 98.736 -9.693 -11.848 1.00 0.00 O ATOM 0 H GLU A 117 101.126 -11.509 -6.454 1.00 0.00 H new ATOM 0 HA GLU A 117 101.178 -8.920 -7.888 1.00 0.00 H new ATOM 0 HB2 GLU A 117 101.619 -11.252 -9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 117 99.887 -11.468 -8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 117 100.220 -8.880 -9.955 1.00 0.00 H new ATOM 0 HG3 GLU A 117 101.386 -9.886 -10.791 1.00 0.00 H new ATOM 1882 N ASP A 118 98.587 -10.575 -6.675 1.00 0.00 N ATOM 1883 CA ASP A 118 97.212 -10.424 -6.213 1.00 0.00 C ATOM 1884 C ASP A 118 96.984 -9.030 -5.637 1.00 0.00 C ATOM 1885 O ASP A 118 96.370 -8.177 -6.278 1.00 0.00 O ATOM 1886 CB ASP A 118 96.886 -11.485 -5.161 1.00 0.00 C ATOM 1887 CG ASP A 118 95.545 -12.148 -5.405 1.00 0.00 C ATOM 1888 OD1 ASP A 118 94.511 -11.454 -5.308 1.00 0.00 O ATOM 1889 OD2 ASP A 118 95.528 -13.363 -5.697 1.00 0.00 O ATOM 0 H ASP A 118 98.982 -11.503 -6.525 1.00 0.00 H new ATOM 0 HA ASP A 118 96.549 -10.557 -7.068 1.00 0.00 H new ATOM 0 HB2 ASP A 118 97.668 -12.244 -5.160 1.00 0.00 H new ATOM 0 HB3 ASP A 118 96.886 -11.025 -4.173 1.00 0.00 H new ATOM 1894 N SER A 119 97.482 -8.806 -4.426 1.00 0.00 N ATOM 1895 CA SER A 119 97.333 -7.514 -3.766 1.00 0.00 C ATOM 1896 C SER A 119 98.475 -6.578 -4.148 1.00 0.00 C ATOM 1897 O SER A 119 99.274 -6.179 -3.301 1.00 0.00 O ATOM 1898 CB SER A 119 97.291 -7.694 -2.247 1.00 0.00 C ATOM 1899 OG SER A 119 97.655 -9.013 -1.880 1.00 0.00 O ATOM 0 H SER A 119 97.992 -9.502 -3.882 1.00 0.00 H new ATOM 0 HA SER A 119 96.394 -7.070 -4.096 1.00 0.00 H new ATOM 0 HB2 SER A 119 97.967 -6.982 -1.774 1.00 0.00 H new ATOM 0 HB3 SER A 119 96.289 -7.474 -1.879 1.00 0.00 H new ATOM 0 HG SER A 119 97.622 -9.102 -0.905 1.00 0.00 H new ATOM 1905 N HIS A 120 98.549 -6.237 -5.429 1.00 0.00 N ATOM 1906 CA HIS A 120 99.596 -5.352 -5.926 1.00 0.00 C ATOM 1907 C HIS A 120 99.147 -3.894 -5.887 1.00 0.00 C ATOM 1908 O HIS A 120 99.852 -3.033 -5.366 1.00 0.00 O ATOM 1909 CB HIS A 120 99.984 -5.739 -7.354 1.00 0.00 C ATOM 1910 CG HIS A 120 98.928 -5.424 -8.368 1.00 0.00 C ATOM 1911 ND1 HIS A 120 97.920 -6.303 -8.704 1.00 0.00 N ATOM 1912 CD2 HIS A 120 98.725 -4.316 -9.120 1.00 0.00 C ATOM 1913 CE1 HIS A 120 97.144 -5.751 -9.620 1.00 0.00 C ATOM 1914 NE2 HIS A 120 97.611 -4.546 -9.889 1.00 0.00 N ATOM 0 H HIS A 120 97.896 -6.560 -6.143 1.00 0.00 H new ATOM 0 HA HIS A 120 100.465 -5.461 -5.277 1.00 0.00 H new ATOM 0 HB2 HIS A 120 100.903 -5.220 -7.625 1.00 0.00 H new ATOM 0 HB3 HIS A 120 100.200 -6.807 -7.386 1.00 0.00 H new ATOM 0 HD1 HIS A 120 97.793 -7.234 -8.307 1.00 0.00 H new ATOM 0 HD2 HIS A 120 99.327 -3.419 -9.116 1.00 0.00 H new ATOM 0 HE1 HIS A 120 96.276 -6.208 -10.072 1.00 0.00 H new ATOM 1923 N LYS A 121 97.972 -3.624 -6.446 1.00 0.00 N ATOM 1924 CA LYS A 121 97.436 -2.268 -6.478 1.00 0.00 C ATOM 1925 C LYS A 121 97.232 -1.721 -5.068 1.00 0.00 C ATOM 1926 O LYS A 121 97.409 -0.528 -4.822 1.00 0.00 O ATOM 1927 CB LYS A 121 96.111 -2.241 -7.242 1.00 0.00 C ATOM 1928 CG LYS A 121 96.091 -1.242 -8.389 1.00 0.00 C ATOM 1929 CD LYS A 121 95.161 -0.076 -8.095 1.00 0.00 C ATOM 1930 CE LYS A 121 95.791 1.250 -8.490 1.00 0.00 C ATOM 1931 NZ LYS A 121 95.282 2.376 -7.658 1.00 0.00 N ATOM 0 H LYS A 121 97.373 -4.325 -6.882 1.00 0.00 H new ATOM 0 HA LYS A 121 98.160 -1.634 -6.989 1.00 0.00 H new ATOM 0 HB2 LYS A 121 95.907 -3.237 -7.635 1.00 0.00 H new ATOM 0 HB3 LYS A 121 95.306 -2.001 -6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 121 97.100 -0.869 -8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 121 95.772 -1.742 -9.303 1.00 0.00 H new ATOM 0 HD2 LYS A 121 94.224 -0.211 -8.636 1.00 0.00 H new ATOM 0 HD3 LYS A 121 94.917 -0.062 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 121 96.874 1.183 -8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 121 95.583 1.452 -9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 95.736 3.262 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 94.252 2.457 -7.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 95.503 2.196 -6.658 1.00 0.00 H new ATOM 1945 N PHE A 122 96.858 -2.601 -4.144 1.00 0.00 N ATOM 1946 CA PHE A 122 96.625 -2.203 -2.759 1.00 0.00 C ATOM 1947 C PHE A 122 97.879 -1.589 -2.147 1.00 0.00 C ATOM 1948 O PHE A 122 97.796 -0.682 -1.319 1.00 0.00 O ATOM 1949 CB PHE A 122 96.176 -3.407 -1.931 1.00 0.00 C ATOM 1950 CG PHE A 122 94.967 -4.102 -2.487 1.00 0.00 C ATOM 1951 CD1 PHE A 122 95.092 -5.018 -3.521 1.00 0.00 C ATOM 1952 CD2 PHE A 122 93.705 -3.842 -1.978 1.00 0.00 C ATOM 1953 CE1 PHE A 122 93.981 -5.659 -4.035 1.00 0.00 C ATOM 1954 CE2 PHE A 122 92.590 -4.481 -2.488 1.00 0.00 C ATOM 1955 CZ PHE A 122 92.729 -5.390 -3.518 1.00 0.00 C ATOM 0 H PHE A 122 96.710 -3.593 -4.329 1.00 0.00 H new ATOM 0 HA PHE A 122 95.837 -1.450 -2.752 1.00 0.00 H new ATOM 0 HB2 PHE A 122 96.998 -4.120 -1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 122 95.960 -3.078 -0.914 1.00 0.00 H new ATOM 0 HD1 PHE A 122 96.069 -5.233 -3.929 1.00 0.00 H new ATOM 0 HD2 PHE A 122 93.591 -3.131 -1.173 1.00 0.00 H new ATOM 0 HE1 PHE A 122 94.092 -6.370 -4.840 1.00 0.00 H new ATOM 0 HE2 PHE A 122 91.612 -4.270 -2.081 1.00 0.00 H new ATOM 0 HZ PHE A 122 91.860 -5.890 -3.919 1.00 0.00 H new ATOM 1965 N VAL A 123 99.039 -2.087 -2.559 1.00 0.00 N ATOM 1966 CA VAL A 123 100.309 -1.585 -2.049 1.00 0.00 C ATOM 1967 C VAL A 123 100.480 -0.098 -2.352 1.00 0.00 C ATOM 1968 O VAL A 123 101.004 0.654 -1.533 1.00 0.00 O ATOM 1969 CB VAL A 123 101.511 -2.365 -2.619 1.00 0.00 C ATOM 1970 CG1 VAL A 123 101.791 -1.973 -4.060 1.00 0.00 C ATOM 1971 CG2 VAL A 123 102.739 -2.131 -1.758 1.00 0.00 C ATOM 0 H VAL A 123 99.126 -2.837 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 123 100.285 -1.730 -0.969 1.00 0.00 H new ATOM 0 HB VAL A 123 101.264 -3.426 -2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 123 102.644 -2.541 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 123 100.916 -2.189 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 123 102.014 -0.907 -4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 123 103.582 -2.686 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 123 102.977 -1.067 -1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 123 102.541 -2.471 -0.742 1.00 0.00 H new ATOM 1981 N ASN A 124 100.042 0.322 -3.530 1.00 0.00 N ATOM 1982 CA ASN A 124 100.161 1.718 -3.930 1.00 0.00 C ATOM 1983 C ASN A 124 99.493 2.636 -2.911 1.00 0.00 C ATOM 1984 O ASN A 124 100.051 3.667 -2.530 1.00 0.00 O ATOM 1985 CB ASN A 124 99.536 1.931 -5.310 1.00 0.00 C ATOM 1986 CG ASN A 124 98.371 2.902 -5.274 1.00 0.00 C ATOM 1987 OD1 ASN A 124 97.326 2.613 -4.693 1.00 0.00 O ATOM 1988 ND2 ASN A 124 98.548 4.061 -5.898 1.00 0.00 N ATOM 0 H ASN A 124 99.602 -0.282 -4.225 1.00 0.00 H new ATOM 0 HA ASN A 124 101.221 1.966 -3.976 1.00 0.00 H new ATOM 0 HB2 ASN A 124 100.296 2.305 -5.996 1.00 0.00 H new ATOM 0 HB3 ASN A 124 99.195 0.973 -5.703 1.00 0.00 H new ATOM 0 HD21 ASN A 124 97.800 4.754 -5.908 1.00 0.00 H new ATOM 0 HD22 ASN A 124 99.432 4.258 -6.367 1.00 0.00 H new ATOM 1995 N GLY A 125 98.301 2.256 -2.471 1.00 0.00 N ATOM 1996 CA GLY A 125 97.580 3.065 -1.509 1.00 0.00 C ATOM 1997 C GLY A 125 98.333 3.233 -0.206 1.00 0.00 C ATOM 1998 O GLY A 125 98.256 4.285 0.428 1.00 0.00 O ATOM 0 H GLY A 125 97.822 1.404 -2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 125 97.384 4.047 -1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 125 96.612 2.607 -1.308 1.00 0.00 H new ATOM 2002 N VAL A 126 99.077 2.206 0.195 1.00 0.00 N ATOM 2003 CA VAL A 126 99.844 2.277 1.431 1.00 0.00 C ATOM 2004 C VAL A 126 100.829 3.431 1.382 1.00 0.00 C ATOM 2005 O VAL A 126 101.026 4.132 2.373 1.00 0.00 O ATOM 2006 CB VAL A 126 100.631 0.983 1.709 1.00 0.00 C ATOM 2007 CG1 VAL A 126 99.919 -0.227 1.124 1.00 0.00 C ATOM 2008 CG2 VAL A 126 102.053 1.105 1.175 1.00 0.00 C ATOM 0 H VAL A 126 99.164 1.325 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 126 99.120 2.424 2.232 1.00 0.00 H new ATOM 0 HB VAL A 126 100.685 0.836 2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 126 100.497 -1.127 1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 126 98.929 -0.318 1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 126 99.820 -0.104 0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 126 102.598 0.183 1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 126 102.024 1.280 0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 126 102.555 1.939 1.665 1.00 0.00 H new ATOM 2018 N LEU A 127 101.447 3.627 0.222 1.00 0.00 N ATOM 2019 CA LEU A 127 102.414 4.700 0.057 1.00 0.00 C ATOM 2020 C LEU A 127 101.729 6.056 0.115 1.00 0.00 C ATOM 2021 O LEU A 127 102.316 7.036 0.565 1.00 0.00 O ATOM 2022 CB LEU A 127 103.175 4.548 -1.258 1.00 0.00 C ATOM 2023 CG LEU A 127 104.634 4.110 -1.110 1.00 0.00 C ATOM 2024 CD1 LEU A 127 105.400 4.358 -2.398 1.00 0.00 C ATOM 2025 CD2 LEU A 127 105.293 4.839 0.050 1.00 0.00 C ATOM 0 H LEU A 127 101.295 3.059 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 127 103.128 4.637 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 127 102.654 3.821 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 127 103.148 5.500 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 127 104.652 3.040 -0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 127 106.435 4.040 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU A 127 104.942 3.791 -3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 127 105.373 5.421 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 127 106.330 4.516 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 127 105.262 5.913 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 127 104.760 4.611 0.973 1.00 0.00 H new ATOM 2037 N ASP A 128 100.481 6.107 -0.338 1.00 0.00 N ATOM 2038 CA ASP A 128 99.727 7.352 -0.326 1.00 0.00 C ATOM 2039 C ASP A 128 99.567 7.857 1.101 1.00 0.00 C ATOM 2040 O ASP A 128 99.768 9.037 1.379 1.00 0.00 O ATOM 2041 CB ASP A 128 98.354 7.152 -0.969 1.00 0.00 C ATOM 2042 CG ASP A 128 97.626 8.462 -1.200 1.00 0.00 C ATOM 2043 OD1 ASP A 128 97.799 9.389 -0.381 1.00 0.00 O ATOM 2044 OD2 ASP A 128 96.884 8.561 -2.200 1.00 0.00 O ATOM 0 H ASP A 128 99.974 5.306 -0.715 1.00 0.00 H new ATOM 0 HA ASP A 128 100.277 8.095 -0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 128 98.474 6.634 -1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 128 97.747 6.510 -0.330 1.00 0.00 H new ATOM 2049 N LYS A 129 99.211 6.951 2.004 1.00 0.00 N ATOM 2050 CA LYS A 129 99.034 7.298 3.407 1.00 0.00 C ATOM 2051 C LYS A 129 100.380 7.408 4.126 1.00 0.00 C ATOM 2052 O LYS A 129 100.588 8.310 4.938 1.00 0.00 O ATOM 2053 CB LYS A 129 98.156 6.256 4.103 1.00 0.00 C ATOM 2054 CG LYS A 129 97.038 5.718 3.225 1.00 0.00 C ATOM 2055 CD LYS A 129 96.256 6.845 2.570 1.00 0.00 C ATOM 2056 CE LYS A 129 95.666 7.790 3.605 1.00 0.00 C ATOM 2057 NZ LYS A 129 94.260 8.160 3.282 1.00 0.00 N ATOM 0 H LYS A 129 99.039 5.969 1.788 1.00 0.00 H new ATOM 0 HA LYS A 129 98.543 8.270 3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 129 98.782 5.425 4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 129 97.722 6.699 4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 129 97.457 5.069 2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 129 96.364 5.106 3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 129 96.911 7.401 1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 129 95.456 6.427 1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 129 95.701 7.320 4.588 1.00 0.00 H new ATOM 0 HE3 LYS A 129 96.275 8.692 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 93.894 8.805 4.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 94.229 8.632 2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 93.673 7.302 3.253 1.00 0.00 H new ATOM 2071 N ALA A 130 101.278 6.466 3.842 1.00 0.00 N ATOM 2072 CA ALA A 130 102.592 6.435 4.481 1.00 0.00 C ATOM 2073 C ALA A 130 103.520 7.551 4.000 1.00 0.00 C ATOM 2074 O ALA A 130 104.289 8.102 4.788 1.00 0.00 O ATOM 2075 CB ALA A 130 103.250 5.085 4.247 1.00 0.00 C ATOM 0 H ALA A 130 101.119 5.713 3.172 1.00 0.00 H new ATOM 0 HA ALA A 130 102.426 6.596 5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 130 104.229 5.069 4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 130 102.626 4.298 4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 130 103.367 4.918 3.176 1.00 0.00 H new ATOM 2081 N ALA A 131 103.468 7.867 2.711 1.00 0.00 N ATOM 2082 CA ALA A 131 104.338 8.897 2.149 1.00 0.00 C ATOM 2083 C ALA A 131 104.176 10.230 2.869 1.00 0.00 C ATOM 2084 O ALA A 131 105.088 10.695 3.553 1.00 0.00 O ATOM 2085 CB ALA A 131 104.077 9.061 0.658 1.00 0.00 C ATOM 0 H ALA A 131 102.838 7.429 2.039 1.00 0.00 H new ATOM 0 HA ALA A 131 105.368 8.570 2.293 1.00 0.00 H new ATOM 0 HB1 ALA A 131 104.734 9.832 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 131 104.272 8.117 0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 131 103.038 9.351 0.500 1.00 0.00 H new ATOM 2091 N PRO A 132 103.009 10.862 2.718 1.00 0.00 N ATOM 2092 CA PRO A 132 102.707 12.155 3.349 1.00 0.00 C ATOM 2093 C PRO A 132 102.714 12.079 4.873 1.00 0.00 C ATOM 2094 O PRO A 132 101.732 12.428 5.527 1.00 0.00 O ATOM 2095 CB PRO A 132 101.299 12.471 2.834 1.00 0.00 C ATOM 2096 CG PRO A 132 100.733 11.140 2.482 1.00 0.00 C ATOM 2097 CD PRO A 132 101.882 10.367 1.921 1.00 0.00 C ATOM 0 HA PRO A 132 103.451 12.913 3.104 1.00 0.00 H new ATOM 0 HB2 PRO A 132 100.699 12.970 3.595 1.00 0.00 H new ATOM 0 HB3 PRO A 132 101.331 13.132 1.968 1.00 0.00 H new ATOM 0 HG2 PRO A 132 100.315 10.645 3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 132 99.927 11.234 1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 132 101.744 9.292 2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 132 102.021 10.559 0.857 1.00 0.00 H new ATOM 2105 N VAL A 133 103.832 11.625 5.430 1.00 0.00 N ATOM 2106 CA VAL A 133 103.977 11.507 6.875 1.00 0.00 C ATOM 2107 C VAL A 133 105.410 11.805 7.302 1.00 0.00 C ATOM 2108 O VAL A 133 105.643 12.542 8.260 1.00 0.00 O ATOM 2109 CB VAL A 133 103.582 10.102 7.369 1.00 0.00 C ATOM 2110 CG1 VAL A 133 104.216 9.815 8.722 1.00 0.00 C ATOM 2111 CG2 VAL A 133 102.070 9.968 7.441 1.00 0.00 C ATOM 0 H VAL A 133 104.653 11.332 4.900 1.00 0.00 H new ATOM 0 HA VAL A 133 103.305 12.238 7.325 1.00 0.00 H new ATOM 0 HB VAL A 133 103.955 9.367 6.656 1.00 0.00 H new ATOM 0 HG11 VAL A 133 103.926 8.819 9.056 1.00 0.00 H new ATOM 0 HG12 VAL A 133 105.301 9.867 8.634 1.00 0.00 H new ATOM 0 HG13 VAL A 133 103.875 10.554 9.447 1.00 0.00 H new ATOM 0 HG21 VAL A 133 101.810 8.969 7.792 1.00 0.00 H new ATOM 0 HG22 VAL A 133 101.671 10.711 8.132 1.00 0.00 H new ATOM 0 HG23 VAL A 133 101.643 10.128 6.451 1.00 0.00 H new ATOM 2121 N ILE A 134 106.369 11.234 6.577 1.00 0.00 N ATOM 2122 CA ILE A 134 107.777 11.441 6.868 1.00 0.00 C ATOM 2123 C ILE A 134 108.146 12.914 6.733 1.00 0.00 C ATOM 2124 O ILE A 134 109.147 13.369 7.288 1.00 0.00 O ATOM 2125 CB ILE A 134 108.656 10.616 5.914 1.00 0.00 C ATOM 2126 CG1 ILE A 134 109.608 9.721 6.702 1.00 0.00 C ATOM 2127 CG2 ILE A 134 109.432 11.534 4.985 1.00 0.00 C ATOM 2128 CD1 ILE A 134 109.408 8.246 6.451 1.00 0.00 C ATOM 0 H ILE A 134 106.191 10.622 5.781 1.00 0.00 H new ATOM 0 HA ILE A 134 107.952 11.117 7.894 1.00 0.00 H new ATOM 0 HB ILE A 134 108.009 9.979 5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 134 110.634 9.987 6.449 1.00 0.00 H new ATOM 0 HG13 ILE A 134 109.480 9.919 7.766 1.00 0.00 H new ATOM 0 HG21 ILE A 134 110.050 10.936 4.315 1.00 0.00 H new ATOM 0 HG22 ILE A 134 108.735 12.132 4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 134 110.069 12.194 5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 134 110.121 7.676 7.046 1.00 0.00 H new ATOM 0 HD12 ILE A 134 108.393 7.964 6.731 1.00 0.00 H new ATOM 0 HD13 ILE A 134 109.565 8.032 5.394 1.00 0.00 H new ATOM 2140 N ARG A 135 107.327 13.654 5.993 1.00 0.00 N ATOM 2141 CA ARG A 135 107.555 15.074 5.780 1.00 0.00 C ATOM 2142 C ARG A 135 106.268 15.861 5.998 1.00 0.00 C ATOM 2143 O ARG A 135 105.183 15.288 6.101 1.00 0.00 O ATOM 2144 CB ARG A 135 108.088 15.324 4.366 1.00 0.00 C ATOM 2145 CG ARG A 135 107.788 14.201 3.384 1.00 0.00 C ATOM 2146 CD ARG A 135 107.248 14.742 2.070 1.00 0.00 C ATOM 2147 NE ARG A 135 108.210 15.612 1.400 1.00 0.00 N ATOM 2148 CZ ARG A 135 107.919 16.348 0.333 1.00 0.00 C ATOM 2149 NH1 ARG A 135 106.697 16.318 -0.182 1.00 0.00 N ATOM 2150 NH2 ARG A 135 108.848 17.116 -0.219 1.00 0.00 N ATOM 0 H ARG A 135 106.495 13.289 5.529 1.00 0.00 H new ATOM 0 HA ARG A 135 108.299 15.412 6.501 1.00 0.00 H new ATOM 0 HB2 ARG A 135 107.658 16.250 3.985 1.00 0.00 H new ATOM 0 HB3 ARG A 135 109.167 15.470 4.416 1.00 0.00 H new ATOM 0 HG2 ARG A 135 108.696 13.627 3.197 1.00 0.00 H new ATOM 0 HG3 ARG A 135 107.062 13.516 3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 135 106.993 13.910 1.413 1.00 0.00 H new ATOM 0 HD3 ARG A 135 106.328 15.295 2.257 1.00 0.00 H new ATOM 0 HE ARG A 135 109.159 15.657 1.772 1.00 0.00 H new ATOM 0 HH11 ARG A 135 105.980 15.729 0.241 1.00 0.00 H new ATOM 0 HH12 ARG A 135 106.475 16.884 -1.001 1.00 0.00 H new ATOM 0 HH21 ARG A 135 109.788 17.143 0.175 1.00 0.00 H new ATOM 0 HH22 ARG A 135 108.623 17.680 -1.038 1.00 0.00 H new