USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=21 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 58 ASN : amide:sc= -0.383 K(o=-0.39,f=-3.2!) USER MOD Set 1.2: A 90 TYR OH : rot -140:sc=-0.00728 USER MOD Set 2.1: A 66 MET CE :methyl 163:sc= -4.25! (180deg=-5.6!) USER MOD Set 2.2: A 69 TYR OH : rot 15:sc= -0.328 USER MOD Set 3.1: A 19 SER OG : rot 140:sc= 0 USER MOD Set 3.2: A 23 SER OG : rot 82:sc= 0.334 USER MOD Set 4.1: A 21 GLN : amide:sc= -8.89! C(o=-11!,f=-12!) USER MOD Set 4.2: A 79 GLN : amide:sc= -2.26 K(o=-11,f=-9.5!) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.216 K(o=-0.22,f=-2.1!) USER MOD Single : A 25 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.098) USER MOD Single : A 32 TYR OH : rot 113:sc= -6.14! USER MOD Single : A 33 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.071) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -31:sc= 0.108 USER MOD Single : A 59 THR OG1 : rot -73:sc= 1.17 USER MOD Single : A 61 TYR OH : rot 180:sc= -2.07! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -170:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -117:sc= -6.52! (180deg=-7.22!) USER MOD Single : A 93 SER OG : rot -145:sc= -2.05 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.188 K(o=-0.19,f=-0.81) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HE2:sc= -0.392 K(o=-0.39,f=-8.5!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= -2.83 K(o=-2.8,f=-5.5!) USER MOD Single : A 129 LYS NZ :NH3+ 178:sc= -2.89! (180deg=-2.98!) USER MOD ----------------------------------------------------------------- ATOM 124 N ARG A 8 119.734 -0.799 -8.549 1.00 0.00 N ATOM 125 CA ARG A 8 118.710 -1.520 -7.804 1.00 0.00 C ATOM 126 C ARG A 8 118.792 -1.197 -6.315 1.00 0.00 C ATOM 127 O ARG A 8 117.784 -0.847 -5.700 1.00 0.00 O ATOM 128 CB ARG A 8 118.859 -3.027 -8.019 1.00 0.00 C ATOM 129 CG ARG A 8 119.127 -3.411 -9.465 1.00 0.00 C ATOM 130 CD ARG A 8 118.122 -4.437 -9.964 1.00 0.00 C ATOM 131 NE ARG A 8 118.608 -5.803 -9.799 1.00 0.00 N ATOM 132 CZ ARG A 8 117.864 -6.882 -10.023 1.00 0.00 C ATOM 133 NH1 ARG A 8 116.606 -6.752 -10.421 1.00 0.00 N ATOM 134 NH2 ARG A 8 118.378 -8.092 -9.850 1.00 0.00 N ATOM 0 HA ARG A 8 117.735 -1.202 -8.174 1.00 0.00 H new ATOM 0 HB2 ARG A 8 119.674 -3.396 -7.397 1.00 0.00 H new ATOM 0 HB3 ARG A 8 117.950 -3.525 -7.682 1.00 0.00 H new ATOM 0 HG2 ARG A 8 119.083 -2.521 -10.093 1.00 0.00 H new ATOM 0 HG3 ARG A 8 120.136 -3.815 -9.555 1.00 0.00 H new ATOM 0 HD2 ARG A 8 117.183 -4.318 -9.423 1.00 0.00 H new ATOM 0 HD3 ARG A 8 117.908 -4.253 -11.017 1.00 0.00 H new ATOM 0 HE ARG A 8 119.572 -5.938 -9.495 1.00 0.00 H new ATOM 0 HH11 ARG A 8 116.207 -5.823 -10.556 1.00 0.00 H new ATOM 0 HH12 ARG A 8 116.037 -7.581 -10.592 1.00 0.00 H new ATOM 0 HH21 ARG A 8 119.346 -8.196 -9.545 1.00 0.00 H new ATOM 0 HH22 ARG A 8 117.806 -8.919 -10.022 1.00 0.00 H new ATOM 148 N ALA A 9 120.004 -1.324 -5.761 1.00 0.00 N ATOM 149 CA ALA A 9 120.271 -1.057 -4.342 1.00 0.00 C ATOM 150 C ALA A 9 119.000 -0.738 -3.563 1.00 0.00 C ATOM 151 O ALA A 9 118.513 -1.563 -2.789 1.00 0.00 O ATOM 152 CB ALA A 9 121.273 0.083 -4.201 1.00 0.00 C ATOM 0 H ALA A 9 120.829 -1.615 -6.285 1.00 0.00 H new ATOM 0 HA ALA A 9 120.692 -1.968 -3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 9 121.463 0.272 -3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 9 122.206 -0.189 -4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 9 120.868 0.983 -4.663 1.00 0.00 H new ATOM 158 N ARG A 10 118.472 0.465 -3.772 1.00 0.00 N ATOM 159 CA ARG A 10 117.260 0.904 -3.088 1.00 0.00 C ATOM 160 C ARG A 10 116.313 -0.264 -2.833 1.00 0.00 C ATOM 161 O ARG A 10 116.218 -0.764 -1.712 1.00 0.00 O ATOM 162 CB ARG A 10 116.547 1.984 -3.906 1.00 0.00 C ATOM 163 CG ARG A 10 116.955 2.013 -5.370 1.00 0.00 C ATOM 164 CD ARG A 10 116.102 2.989 -6.166 1.00 0.00 C ATOM 165 NE ARG A 10 116.152 2.715 -7.599 1.00 0.00 N ATOM 166 CZ ARG A 10 117.107 3.171 -8.402 1.00 0.00 C ATOM 167 NH1 ARG A 10 118.086 3.919 -7.914 1.00 0.00 N ATOM 168 NH2 ARG A 10 117.085 2.878 -9.696 1.00 0.00 N ATOM 0 H ARG A 10 118.866 1.155 -4.412 1.00 0.00 H new ATOM 0 HA ARG A 10 117.555 1.320 -2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 10 115.471 1.824 -3.841 1.00 0.00 H new ATOM 0 HB3 ARG A 10 116.752 2.958 -3.462 1.00 0.00 H new ATOM 0 HG2 ARG A 10 118.005 2.295 -5.451 1.00 0.00 H new ATOM 0 HG3 ARG A 10 116.860 1.014 -5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 10 115.069 2.932 -5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 10 116.445 4.007 -5.979 1.00 0.00 H new ATOM 0 HE ARG A 10 115.413 2.142 -8.006 1.00 0.00 H new ATOM 0 HH11 ARG A 10 118.107 4.146 -6.920 1.00 0.00 H new ATOM 0 HH12 ARG A 10 118.818 4.268 -8.533 1.00 0.00 H new ATOM 0 HH21 ARG A 10 116.334 2.302 -10.076 1.00 0.00 H new ATOM 0 HH22 ARG A 10 117.819 3.229 -10.311 1.00 0.00 H new ATOM 182 N GLU A 11 115.615 -0.691 -3.877 1.00 0.00 N ATOM 183 CA GLU A 11 114.672 -1.796 -3.762 1.00 0.00 C ATOM 184 C GLU A 11 115.385 -3.092 -3.388 1.00 0.00 C ATOM 185 O GLU A 11 114.816 -3.952 -2.715 1.00 0.00 O ATOM 186 CB GLU A 11 113.912 -1.982 -5.078 1.00 0.00 C ATOM 187 CG GLU A 11 114.755 -1.704 -6.312 1.00 0.00 C ATOM 188 CD GLU A 11 114.437 -0.364 -6.945 1.00 0.00 C ATOM 189 OE1 GLU A 11 113.381 0.215 -6.610 1.00 0.00 O ATOM 190 OE2 GLU A 11 115.241 0.107 -7.776 1.00 0.00 O ATOM 0 H GLU A 11 115.684 -0.290 -4.812 1.00 0.00 H new ATOM 0 HA GLU A 11 113.965 -1.553 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 11 113.534 -3.003 -5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 11 113.045 -1.321 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 11 115.810 -1.732 -6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 11 114.593 -2.495 -7.044 1.00 0.00 H new ATOM 197 N CYS A 12 116.630 -3.227 -3.827 1.00 0.00 N ATOM 198 CA CYS A 12 117.415 -4.420 -3.539 1.00 0.00 C ATOM 199 C CYS A 12 117.650 -4.574 -2.040 1.00 0.00 C ATOM 200 O CYS A 12 117.746 -5.690 -1.527 1.00 0.00 O ATOM 201 CB CYS A 12 118.755 -4.364 -4.274 1.00 0.00 C ATOM 202 SG CYS A 12 119.431 -5.986 -4.702 1.00 0.00 S ATOM 0 H CYS A 12 117.118 -2.525 -4.384 1.00 0.00 H new ATOM 0 HA CYS A 12 116.851 -5.285 -3.888 1.00 0.00 H new ATOM 0 HB2 CYS A 12 118.632 -3.781 -5.187 1.00 0.00 H new ATOM 0 HB3 CYS A 12 119.476 -3.834 -3.652 1.00 0.00 H new ATOM 0 HG CYS A 12 120.564 -5.834 -5.322 1.00 0.00 H new ATOM 208 N ALA A 13 117.747 -3.447 -1.344 1.00 0.00 N ATOM 209 CA ALA A 13 117.980 -3.459 0.093 1.00 0.00 C ATOM 210 C ALA A 13 116.837 -4.139 0.838 1.00 0.00 C ATOM 211 O ALA A 13 117.051 -4.770 1.874 1.00 0.00 O ATOM 212 CB ALA A 13 118.190 -2.040 0.603 1.00 0.00 C ATOM 0 H ALA A 13 117.668 -2.515 -1.752 1.00 0.00 H new ATOM 0 HA ALA A 13 118.884 -4.038 0.284 1.00 0.00 H new ATOM 0 HB1 ALA A 13 118.363 -2.062 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 13 119.053 -1.599 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 13 117.304 -1.442 0.390 1.00 0.00 H new ATOM 218 N VAL A 14 115.625 -4.019 0.307 1.00 0.00 N ATOM 219 CA VAL A 14 114.463 -4.633 0.937 1.00 0.00 C ATOM 220 C VAL A 14 114.644 -6.140 1.067 1.00 0.00 C ATOM 221 O VAL A 14 114.217 -6.745 2.050 1.00 0.00 O ATOM 222 CB VAL A 14 113.171 -4.341 0.149 1.00 0.00 C ATOM 223 CG1 VAL A 14 113.045 -2.852 -0.132 1.00 0.00 C ATOM 224 CG2 VAL A 14 113.133 -5.138 -1.145 1.00 0.00 C ATOM 0 H VAL A 14 115.423 -3.506 -0.551 1.00 0.00 H new ATOM 0 HA VAL A 14 114.373 -4.195 1.931 1.00 0.00 H new ATOM 0 HB VAL A 14 112.322 -4.650 0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 14 112.127 -2.663 -0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 14 113.016 -2.305 0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 14 113.901 -2.519 -0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 14 112.212 -4.915 -1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 14 113.989 -4.868 -1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 14 113.171 -6.203 -0.917 1.00 0.00 H new ATOM 234 N GLN A 15 115.298 -6.738 0.078 1.00 0.00 N ATOM 235 CA GLN A 15 115.553 -8.169 0.084 1.00 0.00 C ATOM 236 C GLN A 15 116.365 -8.536 1.312 1.00 0.00 C ATOM 237 O GLN A 15 116.077 -9.522 1.990 1.00 0.00 O ATOM 238 CB GLN A 15 116.298 -8.588 -1.185 1.00 0.00 C ATOM 239 CG GLN A 15 115.622 -8.130 -2.467 1.00 0.00 C ATOM 240 CD GLN A 15 116.150 -8.850 -3.692 1.00 0.00 C ATOM 241 OE1 GLN A 15 117.359 -8.984 -3.874 1.00 0.00 O ATOM 242 NE2 GLN A 15 115.241 -9.317 -4.542 1.00 0.00 N ATOM 0 H GLN A 15 115.662 -6.250 -0.740 1.00 0.00 H new ATOM 0 HA GLN A 15 114.600 -8.697 0.111 1.00 0.00 H new ATOM 0 HB2 GLN A 15 117.309 -8.183 -1.153 1.00 0.00 H new ATOM 0 HB3 GLN A 15 116.390 -9.674 -1.201 1.00 0.00 H new ATOM 0 HG2 GLN A 15 114.548 -8.297 -2.387 1.00 0.00 H new ATOM 0 HG3 GLN A 15 115.770 -7.057 -2.588 1.00 0.00 H new ATOM 0 HE21 GLN A 15 114.248 -9.183 -4.351 1.00 0.00 H new ATOM 0 HE22 GLN A 15 115.536 -9.809 -5.385 1.00 0.00 H new ATOM 251 N ALA A 16 117.367 -7.717 1.608 1.00 0.00 N ATOM 252 CA ALA A 16 118.199 -7.942 2.772 1.00 0.00 C ATOM 253 C ALA A 16 117.378 -7.712 4.024 1.00 0.00 C ATOM 254 O ALA A 16 117.573 -8.375 5.042 1.00 0.00 O ATOM 255 CB ALA A 16 119.413 -7.035 2.746 1.00 0.00 C ATOM 0 H ALA A 16 117.618 -6.896 1.058 1.00 0.00 H new ATOM 0 HA ALA A 16 118.558 -8.971 2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 16 120.024 -7.220 3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 16 119.999 -7.237 1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 16 119.089 -5.994 2.740 1.00 0.00 H new ATOM 261 N LEU A 17 116.422 -6.790 3.926 1.00 0.00 N ATOM 262 CA LEU A 17 115.544 -6.506 5.042 1.00 0.00 C ATOM 263 C LEU A 17 114.808 -7.782 5.394 1.00 0.00 C ATOM 264 O LEU A 17 114.553 -8.072 6.563 1.00 0.00 O ATOM 265 CB LEU A 17 114.552 -5.396 4.687 1.00 0.00 C ATOM 266 CG LEU A 17 114.764 -4.077 5.431 1.00 0.00 C ATOM 267 CD1 LEU A 17 113.701 -3.064 5.035 1.00 0.00 C ATOM 268 CD2 LEU A 17 114.748 -4.306 6.935 1.00 0.00 C ATOM 0 H LEU A 17 116.242 -6.235 3.089 1.00 0.00 H new ATOM 0 HA LEU A 17 116.128 -6.159 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 17 114.612 -5.205 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 17 113.542 -5.753 4.891 1.00 0.00 H new ATOM 0 HG LEU A 17 115.739 -3.678 5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 17 113.868 -2.132 5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 17 113.757 -2.878 3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 17 112.715 -3.456 5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 17 114.900 -3.357 7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 17 113.787 -4.728 7.229 1.00 0.00 H new ATOM 0 HD23 LEU A 17 115.546 -4.998 7.206 1.00 0.00 H new ATOM 280 N TYR A 18 114.503 -8.566 4.362 1.00 0.00 N ATOM 281 CA TYR A 18 113.834 -9.842 4.553 1.00 0.00 C ATOM 282 C TYR A 18 114.797 -10.833 5.201 1.00 0.00 C ATOM 283 O TYR A 18 114.410 -11.627 6.058 1.00 0.00 O ATOM 284 CB TYR A 18 113.334 -10.394 3.217 1.00 0.00 C ATOM 285 CG TYR A 18 112.611 -11.717 3.342 1.00 0.00 C ATOM 286 CD1 TYR A 18 112.074 -12.125 4.555 1.00 0.00 C ATOM 287 CD2 TYR A 18 112.468 -12.558 2.245 1.00 0.00 C ATOM 288 CE1 TYR A 18 111.414 -13.334 4.675 1.00 0.00 C ATOM 289 CE2 TYR A 18 111.808 -13.768 2.355 1.00 0.00 C ATOM 290 CZ TYR A 18 111.283 -14.150 3.571 1.00 0.00 C ATOM 291 OH TYR A 18 110.627 -15.355 3.686 1.00 0.00 O ATOM 0 H TYR A 18 114.709 -8.337 3.390 1.00 0.00 H new ATOM 0 HA TYR A 18 112.974 -9.693 5.206 1.00 0.00 H new ATOM 0 HB2 TYR A 18 112.665 -9.665 2.760 1.00 0.00 H new ATOM 0 HB3 TYR A 18 114.182 -10.515 2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 18 112.173 -11.487 5.421 1.00 0.00 H new ATOM 0 HD2 TYR A 18 112.879 -12.262 1.291 1.00 0.00 H new ATOM 0 HE1 TYR A 18 111.004 -13.637 5.627 1.00 0.00 H new ATOM 0 HE2 TYR A 18 111.704 -14.410 1.493 1.00 0.00 H new ATOM 0 HH TYR A 18 110.621 -15.808 2.817 1.00 0.00 H new ATOM 301 N SER A 19 116.060 -10.765 4.783 1.00 0.00 N ATOM 302 CA SER A 19 117.100 -11.639 5.317 1.00 0.00 C ATOM 303 C SER A 19 117.410 -11.290 6.769 1.00 0.00 C ATOM 304 O SER A 19 117.750 -12.161 7.569 1.00 0.00 O ATOM 305 CB SER A 19 118.370 -11.532 4.471 1.00 0.00 C ATOM 306 OG SER A 19 119.471 -11.106 5.254 1.00 0.00 O ATOM 0 H SER A 19 116.387 -10.110 4.073 1.00 0.00 H new ATOM 0 HA SER A 19 116.733 -12.665 5.279 1.00 0.00 H new ATOM 0 HB2 SER A 19 118.593 -12.499 4.021 1.00 0.00 H new ATOM 0 HB3 SER A 19 118.208 -10.829 3.654 1.00 0.00 H new ATOM 0 HG SER A 19 120.273 -11.604 4.989 1.00 0.00 H new ATOM 312 N TRP A 20 117.291 -10.008 7.097 1.00 0.00 N ATOM 313 CA TRP A 20 117.559 -9.533 8.450 1.00 0.00 C ATOM 314 C TRP A 20 116.623 -10.201 9.450 1.00 0.00 C ATOM 315 O TRP A 20 117.053 -10.690 10.493 1.00 0.00 O ATOM 316 CB TRP A 20 117.368 -8.018 8.516 1.00 0.00 C ATOM 317 CG TRP A 20 118.040 -7.375 9.691 1.00 0.00 C ATOM 318 CD1 TRP A 20 119.166 -7.804 10.333 1.00 0.00 C ATOM 319 CD2 TRP A 20 117.624 -6.180 10.365 1.00 0.00 C ATOM 320 NE1 TRP A 20 119.477 -6.948 11.364 1.00 0.00 N ATOM 321 CE2 TRP A 20 118.544 -5.943 11.403 1.00 0.00 C ATOM 322 CE3 TRP A 20 116.562 -5.289 10.188 1.00 0.00 C ATOM 323 CZ2 TRP A 20 118.433 -4.850 12.260 1.00 0.00 C ATOM 324 CZ3 TRP A 20 116.454 -4.205 11.040 1.00 0.00 C ATOM 325 CH2 TRP A 20 117.385 -3.994 12.063 1.00 0.00 C ATOM 0 H TRP A 20 117.010 -9.278 6.443 1.00 0.00 H new ATOM 0 HA TRP A 20 118.588 -9.786 8.704 1.00 0.00 H new ATOM 0 HB2 TRP A 20 117.754 -7.572 7.599 1.00 0.00 H new ATOM 0 HB3 TRP A 20 116.301 -7.797 8.553 1.00 0.00 H new ATOM 0 HD1 TRP A 20 119.730 -8.687 10.070 1.00 0.00 H new ATOM 0 HE1 TRP A 20 120.272 -7.045 11.996 1.00 0.00 H new ATOM 0 HE3 TRP A 20 115.839 -5.444 9.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 119.149 -4.685 13.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 115.637 -3.510 10.914 1.00 0.00 H new ATOM 0 HH2 TRP A 20 117.274 -3.137 12.711 1.00 0.00 H new ATOM 336 N GLN A 21 115.339 -10.212 9.120 1.00 0.00 N ATOM 337 CA GLN A 21 114.329 -10.814 9.981 1.00 0.00 C ATOM 338 C GLN A 21 114.626 -12.288 10.240 1.00 0.00 C ATOM 339 O GLN A 21 114.620 -12.740 11.385 1.00 0.00 O ATOM 340 CB GLN A 21 112.946 -10.667 9.344 1.00 0.00 C ATOM 341 CG GLN A 21 111.804 -11.065 10.262 1.00 0.00 C ATOM 342 CD GLN A 21 111.460 -12.539 10.160 1.00 0.00 C ATOM 343 OE1 GLN A 21 112.238 -13.399 10.573 1.00 0.00 O ATOM 344 NE2 GLN A 21 110.291 -12.837 9.608 1.00 0.00 N ATOM 0 H GLN A 21 114.970 -9.809 8.258 1.00 0.00 H new ATOM 0 HA GLN A 21 114.348 -10.292 10.938 1.00 0.00 H new ATOM 0 HB2 GLN A 21 112.807 -9.631 9.034 1.00 0.00 H new ATOM 0 HB3 GLN A 21 112.905 -11.278 8.442 1.00 0.00 H new ATOM 0 HG2 GLN A 21 112.071 -10.829 11.292 1.00 0.00 H new ATOM 0 HG3 GLN A 21 110.923 -10.472 10.017 1.00 0.00 H new ATOM 0 HE21 GLN A 21 109.677 -12.091 9.279 1.00 0.00 H new ATOM 0 HE22 GLN A 21 110.006 -13.812 9.512 1.00 0.00 H new ATOM 353 N LEU A 22 114.877 -13.036 9.170 1.00 0.00 N ATOM 354 CA LEU A 22 115.165 -14.463 9.282 1.00 0.00 C ATOM 355 C LEU A 22 116.605 -14.713 9.729 1.00 0.00 C ATOM 356 O LEU A 22 116.850 -15.490 10.651 1.00 0.00 O ATOM 357 CB LEU A 22 114.910 -15.159 7.944 1.00 0.00 C ATOM 358 CG LEU A 22 113.605 -14.767 7.248 1.00 0.00 C ATOM 359 CD1 LEU A 22 113.366 -15.643 6.029 1.00 0.00 C ATOM 360 CD2 LEU A 22 112.436 -14.869 8.217 1.00 0.00 C ATOM 0 H LEU A 22 114.887 -12.678 8.215 1.00 0.00 H new ATOM 0 HA LEU A 22 114.500 -14.876 10.040 1.00 0.00 H new ATOM 0 HB2 LEU A 22 115.741 -14.940 7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 22 114.907 -16.237 8.107 1.00 0.00 H new ATOM 0 HG LEU A 22 113.688 -13.733 6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 22 112.433 -15.349 5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 22 114.191 -15.522 5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 22 113.302 -16.686 6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 22 111.515 -14.587 7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 22 112.351 -15.894 8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 22 112.603 -14.199 9.061 1.00 0.00 H new ATOM 372 N SER A 23 117.552 -14.059 9.065 1.00 0.00 N ATOM 373 CA SER A 23 118.966 -14.223 9.390 1.00 0.00 C ATOM 374 C SER A 23 119.332 -13.470 10.665 1.00 0.00 C ATOM 375 O SER A 23 119.975 -14.019 11.559 1.00 0.00 O ATOM 376 CB SER A 23 119.834 -13.733 8.232 1.00 0.00 C ATOM 377 OG SER A 23 119.416 -14.303 7.002 1.00 0.00 O ATOM 0 H SER A 23 117.367 -13.411 8.299 1.00 0.00 H new ATOM 0 HA SER A 23 119.150 -15.285 9.556 1.00 0.00 H new ATOM 0 HB2 SER A 23 119.781 -12.646 8.169 1.00 0.00 H new ATOM 0 HB3 SER A 23 120.876 -13.991 8.420 1.00 0.00 H new ATOM 0 HG SER A 23 118.656 -13.796 6.648 1.00 0.00 H new ATOM 383 N GLN A 24 118.922 -12.209 10.741 1.00 0.00 N ATOM 384 CA GLN A 24 119.210 -11.380 11.907 1.00 0.00 C ATOM 385 C GLN A 24 120.707 -11.115 12.028 1.00 0.00 C ATOM 386 O GLN A 24 121.302 -11.327 13.084 1.00 0.00 O ATOM 387 CB GLN A 24 118.696 -12.055 13.179 1.00 0.00 C ATOM 388 CG GLN A 24 117.214 -12.387 13.136 1.00 0.00 C ATOM 389 CD GLN A 24 116.586 -12.430 14.514 1.00 0.00 C ATOM 390 OE1 GLN A 24 117.178 -11.976 15.493 1.00 0.00 O ATOM 391 NE2 GLN A 24 115.379 -12.979 14.598 1.00 0.00 N ATOM 0 H GLN A 24 118.389 -11.738 10.010 1.00 0.00 H new ATOM 0 HA GLN A 24 118.699 -10.426 11.779 1.00 0.00 H new ATOM 0 HB2 GLN A 24 119.260 -12.972 13.347 1.00 0.00 H new ATOM 0 HB3 GLN A 24 118.889 -11.402 14.030 1.00 0.00 H new ATOM 0 HG2 GLN A 24 116.697 -11.645 12.528 1.00 0.00 H new ATOM 0 HG3 GLN A 24 117.076 -13.352 12.648 1.00 0.00 H new ATOM 0 HE21 GLN A 24 114.925 -13.343 13.760 1.00 0.00 H new ATOM 0 HE22 GLN A 24 114.907 -13.036 15.500 1.00 0.00 H new ATOM 400 N ASN A 25 121.311 -10.650 10.938 1.00 0.00 N ATOM 401 CA ASN A 25 122.739 -10.356 10.922 1.00 0.00 C ATOM 402 C ASN A 25 123.007 -8.915 11.346 1.00 0.00 C ATOM 403 O ASN A 25 123.635 -8.667 12.375 1.00 0.00 O ATOM 404 CB ASN A 25 123.316 -10.604 9.526 1.00 0.00 C ATOM 405 CG ASN A 25 123.580 -12.074 9.263 1.00 0.00 C ATOM 406 OD1 ASN A 25 124.278 -12.738 10.031 1.00 0.00 O ATOM 407 ND2 ASN A 25 123.024 -12.590 8.173 1.00 0.00 N ATOM 0 H ASN A 25 120.833 -10.469 10.055 1.00 0.00 H new ATOM 0 HA ASN A 25 123.227 -11.020 11.635 1.00 0.00 H new ATOM 0 HB2 ASN A 25 122.623 -10.222 8.776 1.00 0.00 H new ATOM 0 HB3 ASN A 25 124.245 -10.045 9.415 1.00 0.00 H new ATOM 0 HD21 ASN A 25 123.168 -13.573 7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 25 122.453 -12.003 7.565 1.00 0.00 H new ATOM 414 N ASP A 26 122.528 -7.968 10.546 1.00 0.00 N ATOM 415 CA ASP A 26 122.716 -6.551 10.840 1.00 0.00 C ATOM 416 C ASP A 26 121.805 -5.688 9.972 1.00 0.00 C ATOM 417 O ASP A 26 121.273 -4.680 10.430 1.00 0.00 O ATOM 418 CB ASP A 26 124.176 -6.153 10.619 1.00 0.00 C ATOM 419 CG ASP A 26 124.849 -5.691 11.897 1.00 0.00 C ATOM 420 OD1 ASP A 26 125.365 -6.553 12.641 1.00 0.00 O ATOM 421 OD2 ASP A 26 124.861 -4.469 12.154 1.00 0.00 O ATOM 0 H ASP A 26 122.007 -8.155 9.689 1.00 0.00 H new ATOM 0 HA ASP A 26 122.455 -6.385 11.885 1.00 0.00 H new ATOM 0 HB2 ASP A 26 124.723 -7.002 10.210 1.00 0.00 H new ATOM 0 HB3 ASP A 26 124.224 -5.356 9.877 1.00 0.00 H new ATOM 426 N ILE A 27 121.636 -6.096 8.716 1.00 0.00 N ATOM 427 CA ILE A 27 120.793 -5.371 7.768 1.00 0.00 C ATOM 428 C ILE A 27 121.598 -4.333 6.997 1.00 0.00 C ATOM 429 O ILE A 27 121.520 -4.259 5.771 1.00 0.00 O ATOM 430 CB ILE A 27 119.606 -4.667 8.469 1.00 0.00 C ATOM 431 CG1 ILE A 27 118.307 -4.864 7.682 1.00 0.00 C ATOM 432 CG2 ILE A 27 119.886 -3.179 8.648 1.00 0.00 C ATOM 433 CD1 ILE A 27 118.509 -5.088 6.199 1.00 0.00 C ATOM 0 H ILE A 27 122.075 -6.931 8.329 1.00 0.00 H new ATOM 0 HA ILE A 27 120.399 -6.115 7.076 1.00 0.00 H new ATOM 0 HB ILE A 27 119.488 -5.122 9.453 1.00 0.00 H new ATOM 0 HG12 ILE A 27 117.769 -5.717 8.097 1.00 0.00 H new ATOM 0 HG13 ILE A 27 117.673 -3.988 7.823 1.00 0.00 H new ATOM 0 HG21 ILE A 27 119.038 -2.706 9.143 1.00 0.00 H new ATOM 0 HG22 ILE A 27 120.780 -3.048 9.257 1.00 0.00 H new ATOM 0 HG23 ILE A 27 120.040 -2.718 7.672 1.00 0.00 H new ATOM 0 HD11 ILE A 27 117.541 -5.219 5.716 1.00 0.00 H new ATOM 0 HD12 ILE A 27 119.017 -4.226 5.767 1.00 0.00 H new ATOM 0 HD13 ILE A 27 119.115 -5.981 6.045 1.00 0.00 H new ATOM 445 N ALA A 28 122.373 -3.533 7.717 1.00 0.00 N ATOM 446 CA ALA A 28 123.184 -2.506 7.084 1.00 0.00 C ATOM 447 C ALA A 28 124.298 -3.127 6.260 1.00 0.00 C ATOM 448 O ALA A 28 124.456 -2.817 5.087 1.00 0.00 O ATOM 449 CB ALA A 28 123.758 -1.563 8.131 1.00 0.00 C ATOM 0 H ALA A 28 122.456 -3.576 8.733 1.00 0.00 H new ATOM 0 HA ALA A 28 122.545 -1.933 6.412 1.00 0.00 H new ATOM 0 HB1 ALA A 28 124.363 -0.800 7.641 1.00 0.00 H new ATOM 0 HB2 ALA A 28 122.944 -1.086 8.676 1.00 0.00 H new ATOM 0 HB3 ALA A 28 124.379 -2.127 8.827 1.00 0.00 H new ATOM 455 N ASP A 29 125.073 -3.997 6.882 1.00 0.00 N ATOM 456 CA ASP A 29 126.178 -4.661 6.204 1.00 0.00 C ATOM 457 C ASP A 29 125.706 -5.761 5.249 1.00 0.00 C ATOM 458 O ASP A 29 126.397 -6.088 4.289 1.00 0.00 O ATOM 459 CB ASP A 29 127.144 -5.252 7.232 1.00 0.00 C ATOM 460 CG ASP A 29 128.547 -4.693 7.097 1.00 0.00 C ATOM 461 OD1 ASP A 29 128.724 -3.475 7.317 1.00 0.00 O ATOM 462 OD2 ASP A 29 129.467 -5.470 6.771 1.00 0.00 O ATOM 0 H ASP A 29 124.959 -4.263 7.860 1.00 0.00 H new ATOM 0 HA ASP A 29 126.685 -3.905 5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 29 126.770 -5.049 8.236 1.00 0.00 H new ATOM 0 HB3 ASP A 29 127.175 -6.335 7.116 1.00 0.00 H new ATOM 467 N VAL A 30 124.565 -6.376 5.554 1.00 0.00 N ATOM 468 CA VAL A 30 124.058 -7.497 4.754 1.00 0.00 C ATOM 469 C VAL A 30 123.531 -7.124 3.359 1.00 0.00 C ATOM 470 O VAL A 30 123.935 -7.728 2.365 1.00 0.00 O ATOM 471 CB VAL A 30 122.936 -8.240 5.515 1.00 0.00 C ATOM 472 CG1 VAL A 30 121.685 -7.383 5.612 1.00 0.00 C ATOM 473 CG2 VAL A 30 122.621 -9.570 4.848 1.00 0.00 C ATOM 0 H VAL A 30 123.974 -6.121 6.345 1.00 0.00 H new ATOM 0 HA VAL A 30 124.930 -8.131 4.597 1.00 0.00 H new ATOM 0 HB VAL A 30 123.291 -8.438 6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 30 120.911 -7.929 6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 30 121.916 -6.460 6.144 1.00 0.00 H new ATOM 0 HG13 VAL A 30 121.329 -7.144 4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 30 121.829 -10.075 5.400 1.00 0.00 H new ATOM 0 HG22 VAL A 30 122.294 -9.395 3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 30 123.514 -10.195 4.842 1.00 0.00 H new ATOM 483 N GLU A 31 122.613 -6.169 3.277 1.00 0.00 N ATOM 484 CA GLU A 31 122.011 -5.803 1.989 1.00 0.00 C ATOM 485 C GLU A 31 123.040 -5.478 0.911 1.00 0.00 C ATOM 486 O GLU A 31 122.991 -6.023 -0.192 1.00 0.00 O ATOM 487 CB GLU A 31 121.073 -4.600 2.173 1.00 0.00 C ATOM 488 CG GLU A 31 121.323 -3.454 1.201 1.00 0.00 C ATOM 489 CD GLU A 31 121.116 -3.849 -0.251 1.00 0.00 C ATOM 490 OE1 GLU A 31 120.777 -5.024 -0.504 1.00 0.00 O ATOM 491 OE2 GLU A 31 121.292 -2.982 -1.133 1.00 0.00 O ATOM 0 H GLU A 31 122.268 -5.635 4.075 1.00 0.00 H new ATOM 0 HA GLU A 31 121.456 -6.677 1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 31 120.043 -4.937 2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 31 121.177 -4.226 3.192 1.00 0.00 H new ATOM 0 HG2 GLU A 31 120.657 -2.627 1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 31 122.343 -3.091 1.331 1.00 0.00 H new ATOM 498 N TYR A 32 123.935 -4.571 1.221 1.00 0.00 N ATOM 499 CA TYR A 32 124.953 -4.132 0.276 1.00 0.00 C ATOM 500 C TYR A 32 126.024 -5.184 0.025 1.00 0.00 C ATOM 501 O TYR A 32 126.650 -5.190 -1.035 1.00 0.00 O ATOM 502 CB TYR A 32 125.563 -2.821 0.755 1.00 0.00 C ATOM 503 CG TYR A 32 124.509 -1.846 1.229 1.00 0.00 C ATOM 504 CD1 TYR A 32 123.965 -1.967 2.493 1.00 0.00 C ATOM 505 CD2 TYR A 32 124.043 -0.829 0.410 1.00 0.00 C ATOM 506 CE1 TYR A 32 122.986 -1.108 2.940 1.00 0.00 C ATOM 507 CE2 TYR A 32 123.061 0.038 0.848 1.00 0.00 C ATOM 508 CZ TYR A 32 122.536 -0.105 2.113 1.00 0.00 C ATOM 509 OH TYR A 32 121.562 0.761 2.550 1.00 0.00 O ATOM 0 H TYR A 32 123.985 -4.113 2.131 1.00 0.00 H new ATOM 0 HA TYR A 32 124.465 -3.973 -0.686 1.00 0.00 H new ATOM 0 HB2 TYR A 32 126.262 -3.022 1.567 1.00 0.00 H new ATOM 0 HB3 TYR A 32 126.136 -2.370 -0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 32 124.315 -2.753 3.145 1.00 0.00 H new ATOM 0 HD2 TYR A 32 124.453 -0.713 -0.583 1.00 0.00 H new ATOM 0 HE1 TYR A 32 122.575 -1.221 3.932 1.00 0.00 H new ATOM 0 HE2 TYR A 32 122.706 0.826 0.200 1.00 0.00 H new ATOM 0 HH TYR A 32 121.942 1.660 2.644 1.00 0.00 H new ATOM 519 N GLN A 33 126.247 -6.071 0.989 1.00 0.00 N ATOM 520 CA GLN A 33 127.260 -7.102 0.818 1.00 0.00 C ATOM 521 C GLN A 33 126.801 -8.120 -0.215 1.00 0.00 C ATOM 522 O GLN A 33 127.611 -8.699 -0.939 1.00 0.00 O ATOM 523 CB GLN A 33 127.584 -7.770 2.153 1.00 0.00 C ATOM 524 CG GLN A 33 126.589 -8.840 2.563 1.00 0.00 C ATOM 525 CD GLN A 33 127.147 -10.242 2.413 1.00 0.00 C ATOM 526 OE1 GLN A 33 126.533 -11.103 1.784 1.00 0.00 O ATOM 527 NE2 GLN A 33 128.317 -10.479 2.996 1.00 0.00 N ATOM 0 H GLN A 33 125.750 -6.097 1.879 1.00 0.00 H new ATOM 0 HA GLN A 33 128.176 -6.638 0.454 1.00 0.00 H new ATOM 0 HB2 GLN A 33 128.577 -8.215 2.094 1.00 0.00 H new ATOM 0 HB3 GLN A 33 127.623 -7.007 2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 33 126.294 -8.679 3.600 1.00 0.00 H new ATOM 0 HG3 GLN A 33 125.688 -8.745 1.957 1.00 0.00 H new ATOM 0 HE21 GLN A 33 128.792 -9.735 3.508 1.00 0.00 H new ATOM 0 HE22 GLN A 33 128.741 -11.405 2.932 1.00 0.00 H new ATOM 536 N PHE A 34 125.489 -8.307 -0.299 1.00 0.00 N ATOM 537 CA PHE A 34 124.907 -9.225 -1.266 1.00 0.00 C ATOM 538 C PHE A 34 125.205 -8.738 -2.675 1.00 0.00 C ATOM 539 O PHE A 34 125.425 -9.526 -3.594 1.00 0.00 O ATOM 540 CB PHE A 34 123.395 -9.314 -1.066 1.00 0.00 C ATOM 541 CG PHE A 34 122.676 -9.967 -2.212 1.00 0.00 C ATOM 542 CD1 PHE A 34 123.312 -10.913 -2.999 1.00 0.00 C ATOM 543 CD2 PHE A 34 121.363 -9.631 -2.501 1.00 0.00 C ATOM 544 CE1 PHE A 34 122.651 -11.515 -4.053 1.00 0.00 C ATOM 545 CE2 PHE A 34 120.697 -10.230 -3.555 1.00 0.00 C ATOM 546 CZ PHE A 34 121.342 -11.172 -4.332 1.00 0.00 C ATOM 0 H PHE A 34 124.808 -7.833 0.294 1.00 0.00 H new ATOM 0 HA PHE A 34 125.343 -10.214 -1.121 1.00 0.00 H new ATOM 0 HB2 PHE A 34 123.190 -9.873 -0.153 1.00 0.00 H new ATOM 0 HB3 PHE A 34 122.996 -8.310 -0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 34 124.336 -11.183 -2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 34 120.855 -8.894 -1.897 1.00 0.00 H new ATOM 0 HE1 PHE A 34 123.157 -12.253 -4.658 1.00 0.00 H new ATOM 0 HE2 PHE A 34 119.673 -9.961 -3.770 1.00 0.00 H new ATOM 0 HZ PHE A 34 120.824 -11.640 -5.156 1.00 0.00 H new ATOM 556 N LEU A 35 125.209 -7.420 -2.823 1.00 0.00 N ATOM 557 CA LEU A 35 125.479 -6.785 -4.107 1.00 0.00 C ATOM 558 C LEU A 35 126.845 -7.207 -4.637 1.00 0.00 C ATOM 559 O LEU A 35 127.123 -7.092 -5.831 1.00 0.00 O ATOM 560 CB LEU A 35 125.427 -5.257 -3.972 1.00 0.00 C ATOM 561 CG LEU A 35 124.275 -4.705 -3.125 1.00 0.00 C ATOM 562 CD1 LEU A 35 124.461 -3.213 -2.878 1.00 0.00 C ATOM 563 CD2 LEU A 35 122.939 -4.975 -3.801 1.00 0.00 C ATOM 0 H LEU A 35 125.027 -6.765 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 35 124.712 -7.106 -4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 35 126.368 -4.916 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 35 125.360 -4.824 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 35 124.280 -5.215 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 35 123.634 -2.838 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 35 125.400 -3.046 -2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 35 124.483 -2.686 -3.832 1.00 0.00 H new ATOM 0 HD21 LEU A 35 122.133 -4.576 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 35 122.922 -4.493 -4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 35 122.804 -6.050 -3.924 1.00 0.00 H new ATOM 575 N ALA A 36 127.696 -7.693 -3.739 1.00 0.00 N ATOM 576 CA ALA A 36 129.035 -8.131 -4.111 1.00 0.00 C ATOM 577 C ALA A 36 128.984 -9.330 -5.052 1.00 0.00 C ATOM 578 O ALA A 36 129.710 -9.383 -6.044 1.00 0.00 O ATOM 579 CB ALA A 36 129.842 -8.470 -2.867 1.00 0.00 C ATOM 0 H ALA A 36 127.481 -7.793 -2.747 1.00 0.00 H new ATOM 0 HA ALA A 36 129.523 -7.311 -4.639 1.00 0.00 H new ATOM 0 HB1 ALA A 36 130.840 -8.796 -3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 36 129.919 -7.588 -2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 36 129.345 -9.270 -2.318 1.00 0.00 H new ATOM 707 N VAL A 45 127.873 1.437 -4.625 1.00 0.00 N ATOM 708 CA VAL A 45 126.821 1.445 -3.614 1.00 0.00 C ATOM 709 C VAL A 45 127.402 1.514 -2.208 1.00 0.00 C ATOM 710 O VAL A 45 126.688 1.323 -1.223 1.00 0.00 O ATOM 711 CB VAL A 45 125.936 0.193 -3.713 1.00 0.00 C ATOM 712 CG1 VAL A 45 124.496 0.577 -4.017 1.00 0.00 C ATOM 713 CG2 VAL A 45 126.477 -0.763 -4.765 1.00 0.00 C ATOM 0 HA VAL A 45 126.218 2.333 -3.804 1.00 0.00 H new ATOM 0 HB VAL A 45 125.953 -0.318 -2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 45 123.886 -0.324 -4.083 1.00 0.00 H new ATOM 0 HG12 VAL A 45 124.114 1.217 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 45 124.455 1.114 -4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 45 125.837 -1.643 -4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 45 126.494 -0.265 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 45 127.489 -1.066 -4.495 1.00 0.00 H new ATOM 723 N LEU A 46 128.696 1.789 -2.116 1.00 0.00 N ATOM 724 CA LEU A 46 129.360 1.876 -0.822 1.00 0.00 C ATOM 725 C LEU A 46 128.653 2.893 0.061 1.00 0.00 C ATOM 726 O LEU A 46 128.374 2.628 1.231 1.00 0.00 O ATOM 727 CB LEU A 46 130.829 2.264 -1.001 1.00 0.00 C ATOM 728 CG LEU A 46 131.648 1.314 -1.877 1.00 0.00 C ATOM 729 CD1 LEU A 46 131.931 1.947 -3.231 1.00 0.00 C ATOM 730 CD2 LEU A 46 132.947 0.936 -1.181 1.00 0.00 C ATOM 0 H LEU A 46 129.305 1.955 -2.918 1.00 0.00 H new ATOM 0 HA LEU A 46 129.315 0.899 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 46 130.875 3.263 -1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 46 131.296 2.321 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 46 131.067 0.406 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 46 132.514 1.257 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 46 130.989 2.168 -3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 46 132.492 2.871 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 46 133.518 0.260 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 46 133.533 1.835 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 46 132.723 0.442 -0.236 1.00 0.00 H new ATOM 742 N TYR A 47 128.345 4.051 -0.511 1.00 0.00 N ATOM 743 CA TYR A 47 127.649 5.096 0.222 1.00 0.00 C ATOM 744 C TYR A 47 126.246 4.627 0.592 1.00 0.00 C ATOM 745 O TYR A 47 125.726 4.959 1.658 1.00 0.00 O ATOM 746 CB TYR A 47 127.574 6.375 -0.613 1.00 0.00 C ATOM 747 CG TYR A 47 128.920 6.858 -1.103 1.00 0.00 C ATOM 748 CD1 TYR A 47 129.801 7.505 -0.245 1.00 0.00 C ATOM 749 CD2 TYR A 47 129.311 6.667 -2.423 1.00 0.00 C ATOM 750 CE1 TYR A 47 131.033 7.948 -0.689 1.00 0.00 C ATOM 751 CE2 TYR A 47 130.541 7.106 -2.874 1.00 0.00 C ATOM 752 CZ TYR A 47 131.397 7.746 -2.004 1.00 0.00 C ATOM 753 OH TYR A 47 132.622 8.185 -2.449 1.00 0.00 O ATOM 0 H TYR A 47 128.567 4.288 -1.478 1.00 0.00 H new ATOM 0 HA TYR A 47 128.204 5.311 1.135 1.00 0.00 H new ATOM 0 HB2 TYR A 47 126.925 6.201 -1.472 1.00 0.00 H new ATOM 0 HB3 TYR A 47 127.110 7.161 -0.017 1.00 0.00 H new ATOM 0 HD1 TYR A 47 129.519 7.664 0.785 1.00 0.00 H new ATOM 0 HD2 TYR A 47 128.642 6.167 -3.108 1.00 0.00 H new ATOM 0 HE1 TYR A 47 131.707 8.449 -0.010 1.00 0.00 H new ATOM 0 HE2 TYR A 47 130.830 6.948 -3.903 1.00 0.00 H new ATOM 0 HH TYR A 47 132.724 7.964 -3.398 1.00 0.00 H new ATOM 763 N PHE A 48 125.645 3.836 -0.297 1.00 0.00 N ATOM 764 CA PHE A 48 124.306 3.310 -0.066 1.00 0.00 C ATOM 765 C PHE A 48 124.274 2.489 1.213 1.00 0.00 C ATOM 766 O PHE A 48 123.249 2.418 1.889 1.00 0.00 O ATOM 767 CB PHE A 48 123.839 2.451 -1.251 1.00 0.00 C ATOM 768 CG PHE A 48 122.380 2.632 -1.581 1.00 0.00 C ATOM 769 CD1 PHE A 48 121.874 3.895 -1.847 1.00 0.00 C ATOM 770 CD2 PHE A 48 121.514 1.546 -1.617 1.00 0.00 C ATOM 771 CE1 PHE A 48 120.536 4.072 -2.141 1.00 0.00 C ATOM 772 CE2 PHE A 48 120.177 1.720 -1.909 1.00 0.00 C ATOM 773 CZ PHE A 48 119.686 2.984 -2.172 1.00 0.00 C ATOM 0 H PHE A 48 126.066 3.548 -1.180 1.00 0.00 H new ATOM 0 HA PHE A 48 123.626 4.156 0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 48 124.436 2.700 -2.128 1.00 0.00 H new ATOM 0 HB3 PHE A 48 124.026 1.401 -1.025 1.00 0.00 H new ATOM 0 HD1 PHE A 48 122.533 4.750 -1.824 1.00 0.00 H new ATOM 0 HD2 PHE A 48 121.892 0.555 -1.414 1.00 0.00 H new ATOM 0 HE1 PHE A 48 120.155 5.061 -2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 48 119.514 0.868 -1.932 1.00 0.00 H new ATOM 0 HZ PHE A 48 118.640 3.121 -2.401 1.00 0.00 H new ATOM 783 N ARG A 49 125.396 1.851 1.533 1.00 0.00 N ATOM 784 CA ARG A 49 125.476 1.019 2.725 1.00 0.00 C ATOM 785 C ARG A 49 125.077 1.807 3.974 1.00 0.00 C ATOM 786 O ARG A 49 124.316 1.317 4.813 1.00 0.00 O ATOM 787 CB ARG A 49 126.894 0.452 2.888 1.00 0.00 C ATOM 788 CG ARG A 49 126.933 -0.926 3.543 1.00 0.00 C ATOM 789 CD ARG A 49 127.835 -1.892 2.778 1.00 0.00 C ATOM 790 NE ARG A 49 129.250 -1.613 3.005 1.00 0.00 N ATOM 791 CZ ARG A 49 129.946 -2.117 4.019 1.00 0.00 C ATOM 792 NH1 ARG A 49 129.360 -2.921 4.894 1.00 0.00 N ATOM 793 NH2 ARG A 49 131.230 -1.815 4.159 1.00 0.00 N ATOM 0 H ARG A 49 126.256 1.895 0.986 1.00 0.00 H new ATOM 0 HA ARG A 49 124.776 0.192 2.605 1.00 0.00 H new ATOM 0 HB2 ARG A 49 127.366 0.392 1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 49 127.486 1.145 3.485 1.00 0.00 H new ATOM 0 HG2 ARG A 49 127.289 -0.831 4.569 1.00 0.00 H new ATOM 0 HG3 ARG A 49 125.923 -1.334 3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 49 127.613 -2.915 3.084 1.00 0.00 H new ATOM 0 HD3 ARG A 49 127.618 -1.824 1.712 1.00 0.00 H new ATOM 0 HE ARG A 49 129.731 -0.997 2.349 1.00 0.00 H new ATOM 0 HH11 ARG A 49 128.373 -3.155 4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 49 129.896 -3.306 5.671 1.00 0.00 H new ATOM 0 HH21 ARG A 49 131.684 -1.195 3.488 1.00 0.00 H new ATOM 0 HH22 ARG A 49 131.763 -2.202 4.938 1.00 0.00 H new ATOM 807 N GLU A 50 125.583 3.029 4.087 1.00 0.00 N ATOM 808 CA GLU A 50 125.281 3.884 5.232 1.00 0.00 C ATOM 809 C GLU A 50 123.782 4.148 5.371 1.00 0.00 C ATOM 810 O GLU A 50 123.281 4.357 6.476 1.00 0.00 O ATOM 811 CB GLU A 50 126.029 5.213 5.108 1.00 0.00 C ATOM 812 CG GLU A 50 127.521 5.051 4.867 1.00 0.00 C ATOM 813 CD GLU A 50 128.327 6.220 5.400 1.00 0.00 C ATOM 814 OE1 GLU A 50 127.808 6.952 6.268 1.00 0.00 O ATOM 815 OE2 GLU A 50 129.478 6.402 4.950 1.00 0.00 O ATOM 0 H GLU A 50 126.206 3.452 3.399 1.00 0.00 H new ATOM 0 HA GLU A 50 125.611 3.357 6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 50 125.597 5.788 4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 50 125.877 5.792 6.019 1.00 0.00 H new ATOM 0 HG2 GLU A 50 127.864 4.131 5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 50 127.703 4.946 3.798 1.00 0.00 H new ATOM 822 N LEU A 51 123.077 4.162 4.247 1.00 0.00 N ATOM 823 CA LEU A 51 121.641 4.433 4.244 1.00 0.00 C ATOM 824 C LEU A 51 120.854 3.448 5.109 1.00 0.00 C ATOM 825 O LEU A 51 119.914 3.845 5.800 1.00 0.00 O ATOM 826 CB LEU A 51 121.102 4.400 2.813 1.00 0.00 C ATOM 827 CG LEU A 51 121.384 5.653 1.985 1.00 0.00 C ATOM 828 CD1 LEU A 51 121.334 5.331 0.499 1.00 0.00 C ATOM 829 CD2 LEU A 51 120.390 6.752 2.327 1.00 0.00 C ATOM 0 H LEU A 51 123.475 3.989 3.324 1.00 0.00 H new ATOM 0 HA LEU A 51 121.506 5.426 4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 51 121.531 3.540 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 51 120.024 4.243 2.851 1.00 0.00 H new ATOM 0 HG LEU A 51 122.386 6.008 2.227 1.00 0.00 H new ATOM 0 HD11 LEU A 51 121.537 6.234 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 51 122.084 4.576 0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 51 120.345 4.952 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 51 120.606 7.637 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 51 119.378 6.407 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 51 120.473 7.001 3.385 1.00 0.00 H new ATOM 841 N LEU A 52 121.220 2.171 5.071 1.00 0.00 N ATOM 842 CA LEU A 52 120.510 1.164 5.857 1.00 0.00 C ATOM 843 C LEU A 52 120.545 1.489 7.344 1.00 0.00 C ATOM 844 O LEU A 52 119.615 1.163 8.082 1.00 0.00 O ATOM 845 CB LEU A 52 121.123 -0.213 5.639 1.00 0.00 C ATOM 846 CG LEU A 52 120.292 -1.185 4.794 1.00 0.00 C ATOM 847 CD1 LEU A 52 119.265 -1.898 5.658 1.00 0.00 C ATOM 848 CD2 LEU A 52 119.606 -0.467 3.644 1.00 0.00 C ATOM 0 H LEU A 52 121.994 1.810 4.513 1.00 0.00 H new ATOM 0 HA LEU A 52 119.473 1.166 5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 52 122.095 -0.086 5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 52 121.302 -0.669 6.613 1.00 0.00 H new ATOM 0 HG LEU A 52 120.972 -1.926 4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 52 118.684 -2.584 5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 52 119.775 -2.458 6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 52 118.598 -1.164 6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 52 119.024 -1.183 3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 52 118.943 0.303 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 52 120.357 -0.005 3.003 1.00 0.00 H new ATOM 860 N ALA A 53 121.628 2.118 7.782 1.00 0.00 N ATOM 861 CA ALA A 53 121.785 2.457 9.187 1.00 0.00 C ATOM 862 C ALA A 53 120.612 3.287 9.684 1.00 0.00 C ATOM 863 O ALA A 53 120.118 3.074 10.792 1.00 0.00 O ATOM 864 CB ALA A 53 123.092 3.202 9.407 1.00 0.00 C ATOM 0 H ALA A 53 122.406 2.402 7.187 1.00 0.00 H new ATOM 0 HA ALA A 53 121.808 1.529 9.759 1.00 0.00 H new ATOM 0 HB1 ALA A 53 123.196 3.450 10.463 1.00 0.00 H new ATOM 0 HB2 ALA A 53 123.926 2.572 9.098 1.00 0.00 H new ATOM 0 HB3 ALA A 53 123.092 4.119 8.818 1.00 0.00 H new ATOM 870 N GLY A 54 120.151 4.218 8.861 1.00 0.00 N ATOM 871 CA GLY A 54 119.032 5.045 9.258 1.00 0.00 C ATOM 872 C GLY A 54 117.810 4.215 9.581 1.00 0.00 C ATOM 873 O GLY A 54 117.127 4.465 10.574 1.00 0.00 O ATOM 0 H GLY A 54 120.528 4.414 7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 54 119.309 5.639 10.129 1.00 0.00 H new ATOM 0 HA3 GLY A 54 118.795 5.745 8.457 1.00 0.00 H new ATOM 877 N VAL A 55 117.548 3.205 8.761 1.00 0.00 N ATOM 878 CA VAL A 55 116.416 2.321 8.986 1.00 0.00 C ATOM 879 C VAL A 55 116.658 1.484 10.231 1.00 0.00 C ATOM 880 O VAL A 55 115.732 1.164 10.976 1.00 0.00 O ATOM 881 CB VAL A 55 116.178 1.387 7.786 1.00 0.00 C ATOM 882 CG1 VAL A 55 114.736 0.906 7.759 1.00 0.00 C ATOM 883 CG2 VAL A 55 116.540 2.087 6.484 1.00 0.00 C ATOM 0 H VAL A 55 118.104 2.979 7.936 1.00 0.00 H new ATOM 0 HA VAL A 55 115.530 2.943 9.116 1.00 0.00 H new ATOM 0 HB VAL A 55 116.824 0.516 7.895 1.00 0.00 H new ATOM 0 HG11 VAL A 55 114.588 0.247 6.903 1.00 0.00 H new ATOM 0 HG12 VAL A 55 114.517 0.362 8.678 1.00 0.00 H new ATOM 0 HG13 VAL A 55 114.068 1.763 7.676 1.00 0.00 H new ATOM 0 HG21 VAL A 55 116.365 1.411 5.647 1.00 0.00 H new ATOM 0 HG22 VAL A 55 115.923 2.978 6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 55 117.591 2.374 6.505 1.00 0.00 H new ATOM 893 N ALA A 56 117.922 1.136 10.442 1.00 0.00 N ATOM 894 CA ALA A 56 118.322 0.337 11.587 1.00 0.00 C ATOM 895 C ALA A 56 118.243 1.147 12.875 1.00 0.00 C ATOM 896 O ALA A 56 118.164 0.588 13.969 1.00 0.00 O ATOM 897 CB ALA A 56 119.724 -0.203 11.368 1.00 0.00 C ATOM 0 H ALA A 56 118.692 1.399 9.827 1.00 0.00 H new ATOM 0 HA ALA A 56 117.633 -0.502 11.688 1.00 0.00 H new ATOM 0 HB1 ALA A 56 120.022 -0.802 12.229 1.00 0.00 H new ATOM 0 HB2 ALA A 56 119.739 -0.823 10.472 1.00 0.00 H new ATOM 0 HB3 ALA A 56 120.419 0.628 11.246 1.00 0.00 H new ATOM 903 N THR A 57 118.266 2.470 12.736 1.00 0.00 N ATOM 904 CA THR A 57 118.195 3.359 13.888 1.00 0.00 C ATOM 905 C THR A 57 116.867 4.105 13.906 1.00 0.00 C ATOM 906 O THR A 57 116.482 4.688 14.921 1.00 0.00 O ATOM 907 CB THR A 57 119.355 4.357 13.861 1.00 0.00 C ATOM 908 OG1 THR A 57 119.145 5.344 12.868 1.00 0.00 O ATOM 909 CG2 THR A 57 120.695 3.707 13.587 1.00 0.00 C ATOM 0 H THR A 57 118.333 2.948 11.837 1.00 0.00 H new ATOM 0 HA THR A 57 118.269 2.755 14.793 1.00 0.00 H new ATOM 0 HB THR A 57 119.380 4.799 14.857 1.00 0.00 H new ATOM 0 HG1 THR A 57 118.634 4.958 12.126 1.00 0.00 H new ATOM 0 HG21 THR A 57 121.475 4.469 13.581 1.00 0.00 H new ATOM 0 HG22 THR A 57 120.910 2.974 14.365 1.00 0.00 H new ATOM 0 HG23 THR A 57 120.667 3.209 12.618 1.00 0.00 H new ATOM 917 N ASN A 58 116.171 4.078 12.776 1.00 0.00 N ATOM 918 CA ASN A 58 114.884 4.746 12.655 1.00 0.00 C ATOM 919 C ASN A 58 113.870 3.844 11.960 1.00 0.00 C ATOM 920 O ASN A 58 113.024 4.316 11.201 1.00 0.00 O ATOM 921 CB ASN A 58 115.037 6.055 11.878 1.00 0.00 C ATOM 922 CG ASN A 58 114.942 7.274 12.774 1.00 0.00 C ATOM 923 OD1 ASN A 58 114.617 7.166 13.957 1.00 0.00 O ATOM 924 ND2 ASN A 58 115.225 8.444 12.213 1.00 0.00 N ATOM 0 H ASN A 58 116.478 3.599 11.929 1.00 0.00 H new ATOM 0 HA ASN A 58 114.520 4.968 13.658 1.00 0.00 H new ATOM 0 HB2 ASN A 58 115.998 6.059 11.364 1.00 0.00 H new ATOM 0 HB3 ASN A 58 114.265 6.111 11.110 1.00 0.00 H new ATOM 0 HD21 ASN A 58 115.177 9.300 12.766 1.00 0.00 H new ATOM 0 HD22 ASN A 58 115.490 8.487 11.229 1.00 0.00 H new ATOM 931 N THR A 59 113.958 2.544 12.223 1.00 0.00 N ATOM 932 CA THR A 59 113.039 1.588 11.619 1.00 0.00 C ATOM 933 C THR A 59 111.613 1.866 12.079 1.00 0.00 C ATOM 934 O THR A 59 110.694 1.963 11.267 1.00 0.00 O ATOM 935 CB THR A 59 113.437 0.154 11.979 1.00 0.00 C ATOM 936 OG1 THR A 59 114.469 0.146 12.950 1.00 0.00 O ATOM 937 CG2 THR A 59 113.919 -0.650 10.791 1.00 0.00 C ATOM 0 H THR A 59 114.652 2.131 12.846 1.00 0.00 H new ATOM 0 HA THR A 59 113.090 1.700 10.536 1.00 0.00 H new ATOM 0 HB THR A 59 112.528 -0.307 12.366 1.00 0.00 H new ATOM 0 HG1 THR A 59 115.311 0.425 12.534 1.00 0.00 H new ATOM 0 HG21 THR A 59 114.185 -1.656 11.116 1.00 0.00 H new ATOM 0 HG22 THR A 59 113.127 -0.707 10.045 1.00 0.00 H new ATOM 0 HG23 THR A 59 114.793 -0.167 10.355 1.00 0.00 H new ATOM 945 N ALA A 60 111.442 2.013 13.389 1.00 0.00 N ATOM 946 CA ALA A 60 110.132 2.298 13.957 1.00 0.00 C ATOM 947 C ALA A 60 109.600 3.620 13.422 1.00 0.00 C ATOM 948 O ALA A 60 108.391 3.813 13.299 1.00 0.00 O ATOM 949 CB ALA A 60 110.207 2.330 15.477 1.00 0.00 C ATOM 0 H ALA A 60 112.193 1.939 14.075 1.00 0.00 H new ATOM 0 HA ALA A 60 109.446 1.504 13.663 1.00 0.00 H new ATOM 0 HB1 ALA A 60 109.219 2.544 15.886 1.00 0.00 H new ATOM 0 HB2 ALA A 60 110.550 1.363 15.845 1.00 0.00 H new ATOM 0 HB3 ALA A 60 110.905 3.106 15.791 1.00 0.00 H new ATOM 955 N TYR A 61 110.517 4.519 13.085 1.00 0.00 N ATOM 956 CA TYR A 61 110.149 5.816 12.541 1.00 0.00 C ATOM 957 C TYR A 61 109.405 5.611 11.237 1.00 0.00 C ATOM 958 O TYR A 61 108.359 6.217 11.000 1.00 0.00 O ATOM 959 CB TYR A 61 111.389 6.683 12.319 1.00 0.00 C ATOM 960 CG TYR A 61 111.204 7.749 11.263 1.00 0.00 C ATOM 961 CD1 TYR A 61 110.056 8.531 11.231 1.00 0.00 C ATOM 962 CD2 TYR A 61 112.179 7.973 10.301 1.00 0.00 C ATOM 963 CE1 TYR A 61 109.886 9.507 10.269 1.00 0.00 C ATOM 964 CE2 TYR A 61 112.016 8.948 9.335 1.00 0.00 C ATOM 965 CZ TYR A 61 110.869 9.712 9.323 1.00 0.00 C ATOM 966 OH TYR A 61 110.705 10.686 8.365 1.00 0.00 O ATOM 0 H TYR A 61 111.522 4.371 13.180 1.00 0.00 H new ATOM 0 HA TYR A 61 109.505 6.334 13.251 1.00 0.00 H new ATOM 0 HB2 TYR A 61 111.661 7.160 13.260 1.00 0.00 H new ATOM 0 HB3 TYR A 61 112.223 6.042 12.034 1.00 0.00 H new ATOM 0 HD1 TYR A 61 109.285 8.373 11.970 1.00 0.00 H new ATOM 0 HD2 TYR A 61 113.079 7.376 10.307 1.00 0.00 H new ATOM 0 HE1 TYR A 61 108.988 10.107 10.257 1.00 0.00 H new ATOM 0 HE2 TYR A 61 112.784 9.110 8.593 1.00 0.00 H new ATOM 0 HH TYR A 61 111.489 10.701 7.777 1.00 0.00 H new ATOM 976 N LEU A 62 109.930 4.713 10.414 1.00 0.00 N ATOM 977 CA LEU A 62 109.289 4.386 9.157 1.00 0.00 C ATOM 978 C LEU A 62 107.958 3.718 9.465 1.00 0.00 C ATOM 979 O LEU A 62 106.982 3.855 8.725 1.00 0.00 O ATOM 980 CB LEU A 62 110.169 3.445 8.323 1.00 0.00 C ATOM 981 CG LEU A 62 111.560 3.979 7.964 1.00 0.00 C ATOM 982 CD1 LEU A 62 112.418 2.870 7.374 1.00 0.00 C ATOM 983 CD2 LEU A 62 111.450 5.142 6.987 1.00 0.00 C ATOM 0 H LEU A 62 110.794 4.203 10.597 1.00 0.00 H new ATOM 0 HA LEU A 62 109.134 5.296 8.577 1.00 0.00 H new ATOM 0 HB2 LEU A 62 110.289 2.510 8.870 1.00 0.00 H new ATOM 0 HB3 LEU A 62 109.641 3.208 7.399 1.00 0.00 H new ATOM 0 HG LEU A 62 112.037 4.339 8.876 1.00 0.00 H new ATOM 0 HD11 LEU A 62 113.403 3.265 7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 62 112.524 2.066 8.102 1.00 0.00 H new ATOM 0 HD13 LEU A 62 111.943 2.483 6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 62 112.447 5.508 6.744 1.00 0.00 H new ATOM 0 HD22 LEU A 62 110.954 4.806 6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 62 110.869 5.945 7.441 1.00 0.00 H new ATOM 995 N ASP A 63 107.932 3.004 10.590 1.00 0.00 N ATOM 996 CA ASP A 63 106.729 2.310 11.033 1.00 0.00 C ATOM 997 C ASP A 63 105.641 3.306 11.411 1.00 0.00 C ATOM 998 O ASP A 63 104.453 2.993 11.363 1.00 0.00 O ATOM 999 CB ASP A 63 107.046 1.407 12.226 1.00 0.00 C ATOM 1000 CG ASP A 63 105.912 0.455 12.549 1.00 0.00 C ATOM 1001 OD1 ASP A 63 104.740 0.885 12.490 1.00 0.00 O ATOM 1002 OD2 ASP A 63 106.194 -0.722 12.860 1.00 0.00 O ATOM 0 H ASP A 63 108.734 2.893 11.211 1.00 0.00 H new ATOM 0 HA ASP A 63 106.367 1.696 10.209 1.00 0.00 H new ATOM 0 HB2 ASP A 63 107.949 0.834 12.014 1.00 0.00 H new ATOM 0 HB3 ASP A 63 107.258 2.024 13.099 1.00 0.00 H new ATOM 1007 N GLY A 64 106.059 4.509 11.788 1.00 0.00 N ATOM 1008 CA GLY A 64 105.110 5.535 12.171 1.00 0.00 C ATOM 1009 C GLY A 64 104.173 5.909 11.040 1.00 0.00 C ATOM 1010 O GLY A 64 103.009 6.230 11.275 1.00 0.00 O ATOM 0 H GLY A 64 107.038 4.791 11.835 1.00 0.00 H new ATOM 0 HA2 GLY A 64 104.526 5.186 13.022 1.00 0.00 H new ATOM 0 HA3 GLY A 64 105.651 6.422 12.499 1.00 0.00 H new ATOM 1014 N LEU A 65 104.676 5.864 9.809 1.00 0.00 N ATOM 1015 CA LEU A 65 103.859 6.199 8.649 1.00 0.00 C ATOM 1016 C LEU A 65 103.362 4.936 7.954 1.00 0.00 C ATOM 1017 O LEU A 65 102.379 4.967 7.213 1.00 0.00 O ATOM 1018 CB LEU A 65 104.637 7.088 7.672 1.00 0.00 C ATOM 1019 CG LEU A 65 105.785 6.411 6.926 1.00 0.00 C ATOM 1020 CD1 LEU A 65 105.930 7.006 5.531 1.00 0.00 C ATOM 1021 CD2 LEU A 65 107.086 6.557 7.705 1.00 0.00 C ATOM 0 H LEU A 65 105.637 5.601 9.591 1.00 0.00 H new ATOM 0 HA LEU A 65 102.991 6.759 8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 65 103.937 7.487 6.938 1.00 0.00 H new ATOM 0 HB3 LEU A 65 105.039 7.937 8.224 1.00 0.00 H new ATOM 0 HG LEU A 65 105.559 5.349 6.830 1.00 0.00 H new ATOM 0 HD11 LEU A 65 106.752 6.515 5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 65 105.005 6.856 4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 65 106.137 8.073 5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 65 107.894 6.069 7.159 1.00 0.00 H new ATOM 0 HD22 LEU A 65 107.319 7.615 7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 65 106.977 6.092 8.685 1.00 0.00 H new ATOM 1033 N MET A 66 104.044 3.823 8.205 1.00 0.00 N ATOM 1034 CA MET A 66 103.668 2.544 7.614 1.00 0.00 C ATOM 1035 C MET A 66 102.616 1.847 8.469 1.00 0.00 C ATOM 1036 O MET A 66 101.697 1.212 7.951 1.00 0.00 O ATOM 1037 CB MET A 66 104.898 1.646 7.462 1.00 0.00 C ATOM 1038 CG MET A 66 104.673 0.219 7.938 1.00 0.00 C ATOM 1039 SD MET A 66 103.442 -0.656 6.954 1.00 0.00 S ATOM 1040 CE MET A 66 104.486 -1.455 5.738 1.00 0.00 C ATOM 0 H MET A 66 104.861 3.781 8.814 1.00 0.00 H new ATOM 0 HA MET A 66 103.245 2.734 6.627 1.00 0.00 H new ATOM 0 HB2 MET A 66 105.197 1.628 6.414 1.00 0.00 H new ATOM 0 HB3 MET A 66 105.726 2.081 8.022 1.00 0.00 H new ATOM 0 HG2 MET A 66 105.617 -0.325 7.900 1.00 0.00 H new ATOM 0 HG3 MET A 66 104.355 0.234 8.981 1.00 0.00 H new ATOM 0 HE1 MET A 66 103.931 -2.258 5.253 1.00 0.00 H new ATOM 0 HE2 MET A 66 104.797 -0.726 4.990 1.00 0.00 H new ATOM 0 HE3 MET A 66 105.366 -1.868 6.230 1.00 0.00 H new ATOM 1050 N LYS A 67 102.757 1.975 9.785 1.00 0.00 N ATOM 1051 CA LYS A 67 101.824 1.365 10.725 1.00 0.00 C ATOM 1052 C LYS A 67 100.401 1.346 10.170 1.00 0.00 C ATOM 1053 O LYS A 67 99.775 0.290 10.085 1.00 0.00 O ATOM 1054 CB LYS A 67 101.849 2.113 12.058 1.00 0.00 C ATOM 1055 CG LYS A 67 100.952 1.497 13.118 1.00 0.00 C ATOM 1056 CD LYS A 67 99.726 2.357 13.381 1.00 0.00 C ATOM 1057 CE LYS A 67 99.761 2.967 14.772 1.00 0.00 C ATOM 1058 NZ LYS A 67 98.728 2.374 15.665 1.00 0.00 N ATOM 0 H LYS A 67 103.513 2.499 10.226 1.00 0.00 H new ATOM 0 HA LYS A 67 102.141 0.334 10.882 1.00 0.00 H new ATOM 0 HB2 LYS A 67 102.873 2.139 12.431 1.00 0.00 H new ATOM 0 HB3 LYS A 67 101.544 3.146 11.891 1.00 0.00 H new ATOM 0 HG2 LYS A 67 100.638 0.503 12.798 1.00 0.00 H new ATOM 0 HG3 LYS A 67 101.514 1.371 14.043 1.00 0.00 H new ATOM 0 HD2 LYS A 67 99.671 3.151 12.636 1.00 0.00 H new ATOM 0 HD3 LYS A 67 98.826 1.752 13.270 1.00 0.00 H new ATOM 0 HE2 LYS A 67 100.748 2.817 15.209 1.00 0.00 H new ATOM 0 HE3 LYS A 67 99.604 4.043 14.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 98.785 2.817 16.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 97.784 2.539 15.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 98.892 1.351 15.754 1.00 0.00 H new ATOM 1072 N PRO A 68 99.866 2.521 9.792 1.00 0.00 N ATOM 1073 CA PRO A 68 98.520 2.645 9.256 1.00 0.00 C ATOM 1074 C PRO A 68 98.058 1.391 8.518 1.00 0.00 C ATOM 1075 O PRO A 68 96.882 1.029 8.573 1.00 0.00 O ATOM 1076 CB PRO A 68 98.659 3.823 8.297 1.00 0.00 C ATOM 1077 CG PRO A 68 99.761 4.671 8.858 1.00 0.00 C ATOM 1078 CD PRO A 68 100.525 3.832 9.860 1.00 0.00 C ATOM 0 HA PRO A 68 97.771 2.786 10.036 1.00 0.00 H new ATOM 0 HB2 PRO A 68 98.900 3.482 7.290 1.00 0.00 H new ATOM 0 HB3 PRO A 68 97.728 4.385 8.229 1.00 0.00 H new ATOM 0 HG2 PRO A 68 100.423 5.013 8.062 1.00 0.00 H new ATOM 0 HG3 PRO A 68 99.352 5.561 9.337 1.00 0.00 H new ATOM 0 HD2 PRO A 68 101.582 3.763 9.601 1.00 0.00 H new ATOM 0 HD3 PRO A 68 100.470 4.256 10.862 1.00 0.00 H new ATOM 1086 N TYR A 69 98.984 0.731 7.831 1.00 0.00 N ATOM 1087 CA TYR A 69 98.661 -0.481 7.087 1.00 0.00 C ATOM 1088 C TYR A 69 99.568 -1.635 7.501 1.00 0.00 C ATOM 1089 O TYR A 69 100.501 -1.993 6.782 1.00 0.00 O ATOM 1090 CB TYR A 69 98.783 -0.235 5.586 1.00 0.00 C ATOM 1091 CG TYR A 69 100.167 0.181 5.164 1.00 0.00 C ATOM 1092 CD1 TYR A 69 100.600 1.486 5.343 1.00 0.00 C ATOM 1093 CD2 TYR A 69 101.042 -0.730 4.593 1.00 0.00 C ATOM 1094 CE1 TYR A 69 101.867 1.874 4.963 1.00 0.00 C ATOM 1095 CE2 TYR A 69 102.313 -0.353 4.209 1.00 0.00 C ATOM 1096 CZ TYR A 69 102.721 0.951 4.396 1.00 0.00 C ATOM 1097 OH TYR A 69 103.988 1.333 4.016 1.00 0.00 O ATOM 0 H TYR A 69 99.962 1.014 7.774 1.00 0.00 H new ATOM 0 HA TYR A 69 97.631 -0.752 7.319 1.00 0.00 H new ATOM 0 HB2 TYR A 69 98.505 -1.143 5.052 1.00 0.00 H new ATOM 0 HB3 TYR A 69 98.073 0.538 5.292 1.00 0.00 H new ATOM 0 HD1 TYR A 69 99.934 2.210 5.787 1.00 0.00 H new ATOM 0 HD2 TYR A 69 100.724 -1.752 4.446 1.00 0.00 H new ATOM 0 HE1 TYR A 69 102.189 2.895 5.108 1.00 0.00 H new ATOM 0 HE2 TYR A 69 102.983 -1.074 3.765 1.00 0.00 H new ATOM 0 HH TYR A 69 104.205 2.197 4.423 1.00 0.00 H new ATOM 1107 N LEU A 70 99.286 -2.214 8.663 1.00 0.00 N ATOM 1108 CA LEU A 70 100.075 -3.329 9.173 1.00 0.00 C ATOM 1109 C LEU A 70 99.307 -4.640 9.049 1.00 0.00 C ATOM 1110 O LEU A 70 99.901 -5.716 8.987 1.00 0.00 O ATOM 1111 CB LEU A 70 100.457 -3.085 10.634 1.00 0.00 C ATOM 1112 CG LEU A 70 101.564 -2.051 10.852 1.00 0.00 C ATOM 1113 CD1 LEU A 70 102.664 -2.627 11.730 1.00 0.00 C ATOM 1114 CD2 LEU A 70 102.131 -1.588 9.518 1.00 0.00 C ATOM 0 H LEU A 70 98.517 -1.930 9.269 1.00 0.00 H new ATOM 0 HA LEU A 70 100.983 -3.402 8.575 1.00 0.00 H new ATOM 0 HB2 LEU A 70 99.568 -2.763 11.177 1.00 0.00 H new ATOM 0 HB3 LEU A 70 100.773 -4.031 11.073 1.00 0.00 H new ATOM 0 HG LEU A 70 101.135 -1.188 11.361 1.00 0.00 H new ATOM 0 HD11 LEU A 70 103.443 -1.879 11.875 1.00 0.00 H new ATOM 0 HD12 LEU A 70 102.247 -2.909 12.697 1.00 0.00 H new ATOM 0 HD13 LEU A 70 103.091 -3.507 11.248 1.00 0.00 H new ATOM 0 HD21 LEU A 70 102.917 -0.853 9.692 1.00 0.00 H new ATOM 0 HD22 LEU A 70 102.545 -2.442 8.983 1.00 0.00 H new ATOM 0 HD23 LEU A 70 101.338 -1.137 8.922 1.00 0.00 H new ATOM 1126 N SER A 71 97.982 -4.543 9.014 1.00 0.00 N ATOM 1127 CA SER A 71 97.131 -5.722 8.898 1.00 0.00 C ATOM 1128 C SER A 71 97.207 -6.573 10.161 1.00 0.00 C ATOM 1129 O SER A 71 97.308 -7.799 10.090 1.00 0.00 O ATOM 1130 CB SER A 71 97.540 -6.554 7.682 1.00 0.00 C ATOM 1131 OG SER A 71 96.649 -6.348 6.599 1.00 0.00 O ATOM 0 H SER A 71 97.474 -3.660 9.064 1.00 0.00 H new ATOM 0 HA SER A 71 96.102 -5.386 8.769 1.00 0.00 H new ATOM 0 HB2 SER A 71 98.553 -6.288 7.379 1.00 0.00 H new ATOM 0 HB3 SER A 71 97.555 -7.611 7.949 1.00 0.00 H new ATOM 0 HG SER A 71 96.835 -7.002 5.893 1.00 0.00 H new ATOM 1137 N ARG A 72 97.160 -5.916 11.316 1.00 0.00 N ATOM 1138 CA ARG A 72 97.223 -6.613 12.595 1.00 0.00 C ATOM 1139 C ARG A 72 98.653 -7.039 12.912 1.00 0.00 C ATOM 1140 O ARG A 72 99.184 -6.720 13.976 1.00 0.00 O ATOM 1141 CB ARG A 72 96.306 -7.838 12.579 1.00 0.00 C ATOM 1142 CG ARG A 72 94.919 -7.553 12.024 1.00 0.00 C ATOM 1143 CD ARG A 72 94.545 -8.536 10.926 1.00 0.00 C ATOM 1144 NE ARG A 72 93.399 -8.076 10.147 1.00 0.00 N ATOM 1145 CZ ARG A 72 92.139 -8.185 10.555 1.00 0.00 C ATOM 1146 NH1 ARG A 72 91.865 -8.739 11.729 1.00 0.00 N ATOM 1147 NH2 ARG A 72 91.151 -7.742 9.790 1.00 0.00 N ATOM 0 H ARG A 72 97.079 -4.902 11.392 1.00 0.00 H new ATOM 0 HA ARG A 72 96.886 -5.926 13.371 1.00 0.00 H new ATOM 0 HB2 ARG A 72 96.772 -8.623 11.983 1.00 0.00 H new ATOM 0 HB3 ARG A 72 96.210 -8.223 13.594 1.00 0.00 H new ATOM 0 HG2 ARG A 72 94.186 -7.608 12.829 1.00 0.00 H new ATOM 0 HG3 ARG A 72 94.885 -6.537 11.631 1.00 0.00 H new ATOM 0 HD2 ARG A 72 95.398 -8.682 10.264 1.00 0.00 H new ATOM 0 HD3 ARG A 72 94.316 -9.505 11.369 1.00 0.00 H new ATOM 0 HE ARG A 72 93.575 -7.647 9.239 1.00 0.00 H new ATOM 0 HH11 ARG A 72 92.622 -9.082 12.320 1.00 0.00 H new ATOM 0 HH12 ARG A 72 90.897 -8.822 12.040 1.00 0.00 H new ATOM 0 HH21 ARG A 72 91.357 -7.316 8.886 1.00 0.00 H new ATOM 0 HH22 ARG A 72 90.185 -7.827 10.105 1.00 0.00 H new ATOM 1161 N LEU A 73 99.270 -7.760 11.983 1.00 0.00 N ATOM 1162 CA LEU A 73 100.640 -8.228 12.164 1.00 0.00 C ATOM 1163 C LEU A 73 101.484 -7.930 10.930 1.00 0.00 C ATOM 1164 O LEU A 73 101.040 -8.127 9.799 1.00 0.00 O ATOM 1165 CB LEU A 73 100.652 -9.731 12.454 1.00 0.00 C ATOM 1166 CG LEU A 73 99.596 -10.205 13.453 1.00 0.00 C ATOM 1167 CD1 LEU A 73 98.493 -10.970 12.739 1.00 0.00 C ATOM 1168 CD2 LEU A 73 100.234 -11.068 14.532 1.00 0.00 C ATOM 0 H LEU A 73 98.844 -8.033 11.097 1.00 0.00 H new ATOM 0 HA LEU A 73 101.071 -7.697 13.013 1.00 0.00 H new ATOM 0 HB2 LEU A 73 100.510 -10.268 11.516 1.00 0.00 H new ATOM 0 HB3 LEU A 73 101.637 -10.005 12.832 1.00 0.00 H new ATOM 0 HG LEU A 73 99.154 -9.330 13.929 1.00 0.00 H new ATOM 0 HD11 LEU A 73 97.750 -11.300 13.465 1.00 0.00 H new ATOM 0 HD12 LEU A 73 98.018 -10.321 12.003 1.00 0.00 H new ATOM 0 HD13 LEU A 73 98.919 -11.838 12.236 1.00 0.00 H new ATOM 0 HD21 LEU A 73 99.468 -11.397 15.235 1.00 0.00 H new ATOM 0 HD22 LEU A 73 100.702 -11.938 14.072 1.00 0.00 H new ATOM 0 HD23 LEU A 73 100.989 -10.488 15.063 1.00 0.00 H new ATOM 1180 N LEU A 74 102.705 -7.455 11.156 1.00 0.00 N ATOM 1181 CA LEU A 74 103.612 -7.130 10.061 1.00 0.00 C ATOM 1182 C LEU A 74 104.071 -8.393 9.341 1.00 0.00 C ATOM 1183 O LEU A 74 104.249 -8.395 8.122 1.00 0.00 O ATOM 1184 CB LEU A 74 104.825 -6.360 10.589 1.00 0.00 C ATOM 1185 CG LEU A 74 104.601 -4.861 10.797 1.00 0.00 C ATOM 1186 CD1 LEU A 74 105.916 -4.161 11.105 1.00 0.00 C ATOM 1187 CD2 LEU A 74 103.942 -4.246 9.571 1.00 0.00 C ATOM 0 H LEU A 74 103.089 -7.287 12.086 1.00 0.00 H new ATOM 0 HA LEU A 74 103.074 -6.504 9.349 1.00 0.00 H new ATOM 0 HB2 LEU A 74 105.131 -6.801 11.538 1.00 0.00 H new ATOM 0 HB3 LEU A 74 105.653 -6.495 9.893 1.00 0.00 H new ATOM 0 HG LEU A 74 103.935 -4.728 11.649 1.00 0.00 H new ATOM 0 HD11 LEU A 74 105.736 -3.096 11.250 1.00 0.00 H new ATOM 0 HD12 LEU A 74 106.349 -4.582 12.012 1.00 0.00 H new ATOM 0 HD13 LEU A 74 106.607 -4.303 10.274 1.00 0.00 H new ATOM 0 HD21 LEU A 74 103.790 -3.179 9.736 1.00 0.00 H new ATOM 0 HD22 LEU A 74 104.584 -4.391 8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 74 102.980 -4.727 9.396 1.00 0.00 H new ATOM 1199 N GLU A 75 104.262 -9.466 10.102 1.00 0.00 N ATOM 1200 CA GLU A 75 104.701 -10.736 9.535 1.00 0.00 C ATOM 1201 C GLU A 75 103.639 -11.314 8.606 1.00 0.00 C ATOM 1202 O GLU A 75 103.957 -11.905 7.573 1.00 0.00 O ATOM 1203 CB GLU A 75 105.018 -11.734 10.650 1.00 0.00 C ATOM 1204 CG GLU A 75 106.506 -11.989 10.834 1.00 0.00 C ATOM 1205 CD GLU A 75 106.810 -12.787 12.087 1.00 0.00 C ATOM 1206 OE1 GLU A 75 106.093 -12.608 13.093 1.00 0.00 O ATOM 1207 OE2 GLU A 75 107.764 -13.592 12.061 1.00 0.00 O ATOM 0 H GLU A 75 104.120 -9.481 11.112 1.00 0.00 H new ATOM 0 HA GLU A 75 105.605 -10.552 8.954 1.00 0.00 H new ATOM 0 HB2 GLU A 75 104.603 -11.363 11.587 1.00 0.00 H new ATOM 0 HB3 GLU A 75 104.520 -12.679 10.433 1.00 0.00 H new ATOM 0 HG2 GLU A 75 106.889 -12.524 9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 75 107.032 -11.035 10.879 1.00 0.00 H new ATOM 1214 N GLU A 76 102.375 -11.142 8.980 1.00 0.00 N ATOM 1215 CA GLU A 76 101.265 -11.649 8.179 1.00 0.00 C ATOM 1216 C GLU A 76 101.383 -11.187 6.731 1.00 0.00 C ATOM 1217 O GLU A 76 101.272 -11.988 5.803 1.00 0.00 O ATOM 1218 CB GLU A 76 99.932 -11.186 8.768 1.00 0.00 C ATOM 1219 CG GLU A 76 99.296 -12.201 9.705 1.00 0.00 C ATOM 1220 CD GLU A 76 97.845 -12.477 9.366 1.00 0.00 C ATOM 1221 OE1 GLU A 76 97.591 -13.159 8.352 1.00 0.00 O ATOM 1222 OE2 GLU A 76 96.961 -12.012 10.117 1.00 0.00 O ATOM 0 H GLU A 76 102.094 -10.656 9.832 1.00 0.00 H new ATOM 0 HA GLU A 76 101.304 -12.738 8.197 1.00 0.00 H new ATOM 0 HB2 GLU A 76 100.088 -10.252 9.309 1.00 0.00 H new ATOM 0 HB3 GLU A 76 99.240 -10.971 7.954 1.00 0.00 H new ATOM 0 HG2 GLU A 76 99.859 -13.133 9.661 1.00 0.00 H new ATOM 0 HG3 GLU A 76 99.363 -11.836 10.730 1.00 0.00 H new ATOM 1229 N LEU A 77 101.608 -9.890 6.544 1.00 0.00 N ATOM 1230 CA LEU A 77 101.742 -9.322 5.208 1.00 0.00 C ATOM 1231 C LEU A 77 103.072 -9.721 4.577 1.00 0.00 C ATOM 1232 O LEU A 77 104.054 -9.965 5.279 1.00 0.00 O ATOM 1233 CB LEU A 77 101.629 -7.797 5.266 1.00 0.00 C ATOM 1234 CG LEU A 77 100.651 -7.181 4.265 1.00 0.00 C ATOM 1235 CD1 LEU A 77 99.348 -6.808 4.953 1.00 0.00 C ATOM 1236 CD2 LEU A 77 101.271 -5.962 3.597 1.00 0.00 C ATOM 0 H LEU A 77 101.701 -9.213 7.301 1.00 0.00 H new ATOM 0 HA LEU A 77 100.935 -9.717 4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 77 101.325 -7.509 6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 77 102.617 -7.368 5.096 1.00 0.00 H new ATOM 0 HG LEU A 77 100.433 -7.922 3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 77 98.664 -6.371 4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 77 98.896 -7.701 5.385 1.00 0.00 H new ATOM 0 HD13 LEU A 77 99.548 -6.084 5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 77 100.562 -5.536 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 77 101.518 -5.218 4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 77 102.178 -6.258 3.070 1.00 0.00 H new ATOM 1248 N GLY A 78 103.098 -9.781 3.250 1.00 0.00 N ATOM 1249 CA GLY A 78 104.314 -10.150 2.548 1.00 0.00 C ATOM 1250 C GLY A 78 105.556 -9.590 3.213 1.00 0.00 C ATOM 1251 O GLY A 78 105.808 -8.387 3.158 1.00 0.00 O ATOM 0 H GLY A 78 102.299 -9.581 2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 78 104.388 -11.236 2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 78 104.261 -9.790 1.521 1.00 0.00 H new ATOM 1255 N GLN A 79 106.331 -10.464 3.845 1.00 0.00 N ATOM 1256 CA GLN A 79 107.551 -10.051 4.526 1.00 0.00 C ATOM 1257 C GLN A 79 108.329 -9.036 3.695 1.00 0.00 C ATOM 1258 O GLN A 79 108.536 -7.900 4.122 1.00 0.00 O ATOM 1259 CB GLN A 79 108.429 -11.267 4.823 1.00 0.00 C ATOM 1260 CG GLN A 79 108.224 -11.836 6.216 1.00 0.00 C ATOM 1261 CD GLN A 79 108.600 -10.853 7.307 1.00 0.00 C ATOM 1262 OE1 GLN A 79 107.738 -10.199 7.895 1.00 0.00 O ATOM 1263 NE2 GLN A 79 109.894 -10.741 7.583 1.00 0.00 N ATOM 0 H GLN A 79 106.135 -11.464 3.900 1.00 0.00 H new ATOM 0 HA GLN A 79 107.267 -9.576 5.465 1.00 0.00 H new ATOM 0 HB2 GLN A 79 108.221 -12.044 4.087 1.00 0.00 H new ATOM 0 HB3 GLN A 79 109.476 -10.987 4.704 1.00 0.00 H new ATOM 0 HG2 GLN A 79 107.180 -12.125 6.336 1.00 0.00 H new ATOM 0 HG3 GLN A 79 108.821 -12.742 6.326 1.00 0.00 H new ATOM 0 HE21 GLN A 79 110.575 -11.302 7.071 1.00 0.00 H new ATOM 0 HE22 GLN A 79 110.207 -10.094 8.307 1.00 0.00 H new ATOM 1272 N VAL A 80 108.767 -9.451 2.510 1.00 0.00 N ATOM 1273 CA VAL A 80 109.529 -8.568 1.630 1.00 0.00 C ATOM 1274 C VAL A 80 108.720 -7.337 1.244 1.00 0.00 C ATOM 1275 O VAL A 80 109.186 -6.206 1.389 1.00 0.00 O ATOM 1276 CB VAL A 80 109.975 -9.275 0.331 1.00 0.00 C ATOM 1277 CG1 VAL A 80 111.410 -9.763 0.447 1.00 0.00 C ATOM 1278 CG2 VAL A 80 109.038 -10.421 -0.019 1.00 0.00 C ATOM 0 H VAL A 80 108.609 -10.387 2.138 1.00 0.00 H new ATOM 0 HA VAL A 80 110.412 -8.275 2.198 1.00 0.00 H new ATOM 0 HB VAL A 80 109.929 -8.548 -0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 80 111.702 -10.258 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 80 112.069 -8.914 0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 80 111.489 -10.468 1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 80 109.376 -10.900 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 80 109.036 -11.150 0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 80 108.029 -10.035 -0.162 1.00 0.00 H new ATOM 1288 N GLU A 81 107.505 -7.559 0.755 1.00 0.00 N ATOM 1289 CA GLU A 81 106.646 -6.459 0.342 1.00 0.00 C ATOM 1290 C GLU A 81 106.477 -5.459 1.473 1.00 0.00 C ATOM 1291 O GLU A 81 106.672 -4.258 1.285 1.00 0.00 O ATOM 1292 CB GLU A 81 105.278 -6.985 -0.098 1.00 0.00 C ATOM 1293 CG GLU A 81 104.843 -6.480 -1.463 1.00 0.00 C ATOM 1294 CD GLU A 81 103.388 -6.054 -1.491 1.00 0.00 C ATOM 1295 OE1 GLU A 81 103.107 -4.879 -1.172 1.00 0.00 O ATOM 1296 OE2 GLU A 81 102.529 -6.895 -1.831 1.00 0.00 O ATOM 0 H GLU A 81 107.096 -8.486 0.636 1.00 0.00 H new ATOM 0 HA GLU A 81 107.119 -5.956 -0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 81 105.305 -8.075 -0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 81 104.532 -6.696 0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 81 105.470 -5.636 -1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 81 105.003 -7.263 -2.204 1.00 0.00 H new ATOM 1303 N LYS A 82 106.139 -5.957 2.653 1.00 0.00 N ATOM 1304 CA LYS A 82 105.968 -5.093 3.809 1.00 0.00 C ATOM 1305 C LYS A 82 107.247 -4.310 4.059 1.00 0.00 C ATOM 1306 O LYS A 82 107.212 -3.117 4.358 1.00 0.00 O ATOM 1307 CB LYS A 82 105.603 -5.915 5.045 1.00 0.00 C ATOM 1308 CG LYS A 82 105.670 -5.125 6.343 1.00 0.00 C ATOM 1309 CD LYS A 82 107.072 -5.141 6.932 1.00 0.00 C ATOM 1310 CE LYS A 82 107.548 -3.739 7.273 1.00 0.00 C ATOM 1311 NZ LYS A 82 107.008 -3.271 8.580 1.00 0.00 N ATOM 0 H LYS A 82 105.979 -6.948 2.834 1.00 0.00 H new ATOM 0 HA LYS A 82 105.155 -4.396 3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 82 104.595 -6.312 4.923 1.00 0.00 H new ATOM 0 HB3 LYS A 82 106.276 -6.770 5.114 1.00 0.00 H new ATOM 0 HG2 LYS A 82 105.363 -4.095 6.160 1.00 0.00 H new ATOM 0 HG3 LYS A 82 104.967 -5.545 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 82 107.084 -5.759 7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 82 107.761 -5.598 6.222 1.00 0.00 H new ATOM 0 HE2 LYS A 82 108.637 -3.723 7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 82 107.241 -3.050 6.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 106.401 -2.440 8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 106.450 -4.032 9.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 107.795 -3.014 9.209 1.00 0.00 H new ATOM 1325 N ALA A 83 108.380 -4.987 3.911 1.00 0.00 N ATOM 1326 CA ALA A 83 109.674 -4.351 4.095 1.00 0.00 C ATOM 1327 C ALA A 83 109.965 -3.404 2.940 1.00 0.00 C ATOM 1328 O ALA A 83 110.587 -2.357 3.115 1.00 0.00 O ATOM 1329 CB ALA A 83 110.770 -5.401 4.214 1.00 0.00 C ATOM 0 H ALA A 83 108.426 -5.976 3.664 1.00 0.00 H new ATOM 0 HA ALA A 83 109.650 -3.773 5.019 1.00 0.00 H new ATOM 0 HB1 ALA A 83 111.733 -4.908 4.351 1.00 0.00 H new ATOM 0 HB2 ALA A 83 110.566 -6.044 5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 83 110.797 -6.003 3.306 1.00 0.00 H new ATOM 1335 N VAL A 84 109.503 -3.790 1.753 1.00 0.00 N ATOM 1336 CA VAL A 84 109.712 -2.998 0.551 1.00 0.00 C ATOM 1337 C VAL A 84 109.146 -1.597 0.706 1.00 0.00 C ATOM 1338 O VAL A 84 109.782 -0.612 0.327 1.00 0.00 O ATOM 1339 CB VAL A 84 109.062 -3.670 -0.670 1.00 0.00 C ATOM 1340 CG1 VAL A 84 108.229 -2.668 -1.453 1.00 0.00 C ATOM 1341 CG2 VAL A 84 110.123 -4.308 -1.555 1.00 0.00 C ATOM 0 H VAL A 84 108.979 -4.652 1.601 1.00 0.00 H new ATOM 0 HA VAL A 84 110.789 -2.930 0.397 1.00 0.00 H new ATOM 0 HB VAL A 84 108.396 -4.458 -0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 84 107.778 -3.163 -2.313 1.00 0.00 H new ATOM 0 HG12 VAL A 84 107.444 -2.267 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 84 108.867 -1.854 -1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 84 109.645 -4.779 -2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 84 110.817 -3.542 -1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 84 110.668 -5.061 -0.985 1.00 0.00 H new ATOM 1351 N LEU A 85 107.953 -1.513 1.269 1.00 0.00 N ATOM 1352 CA LEU A 85 107.303 -0.232 1.480 1.00 0.00 C ATOM 1353 C LEU A 85 108.031 0.576 2.550 1.00 0.00 C ATOM 1354 O LEU A 85 108.060 1.805 2.498 1.00 0.00 O ATOM 1355 CB LEU A 85 105.843 -0.437 1.886 1.00 0.00 C ATOM 1356 CG LEU A 85 104.935 -0.990 0.787 1.00 0.00 C ATOM 1357 CD1 LEU A 85 103.858 -1.879 1.389 1.00 0.00 C ATOM 1358 CD2 LEU A 85 104.311 0.146 -0.009 1.00 0.00 C ATOM 0 H LEU A 85 107.414 -2.318 1.588 1.00 0.00 H new ATOM 0 HA LEU A 85 107.337 0.323 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 85 105.811 -1.116 2.738 1.00 0.00 H new ATOM 0 HB3 LEU A 85 105.439 0.517 2.224 1.00 0.00 H new ATOM 0 HG LEU A 85 105.538 -1.592 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 85 103.219 -2.265 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 85 104.325 -2.711 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 85 103.256 -1.299 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 85 103.668 -0.265 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 85 103.719 0.774 0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 85 105.098 0.744 -0.468 1.00 0.00 H new ATOM 1370 N ARG A 86 108.621 -0.120 3.521 1.00 0.00 N ATOM 1371 CA ARG A 86 109.329 0.551 4.604 1.00 0.00 C ATOM 1372 C ARG A 86 110.438 1.433 4.055 1.00 0.00 C ATOM 1373 O ARG A 86 110.564 2.596 4.441 1.00 0.00 O ATOM 1374 CB ARG A 86 109.911 -0.476 5.577 1.00 0.00 C ATOM 1375 CG ARG A 86 110.097 0.062 6.987 1.00 0.00 C ATOM 1376 CD ARG A 86 110.836 -0.932 7.869 1.00 0.00 C ATOM 1377 NE ARG A 86 110.310 -0.951 9.231 1.00 0.00 N ATOM 1378 CZ ARG A 86 110.472 -1.971 10.068 1.00 0.00 C ATOM 1379 NH1 ARG A 86 111.143 -3.047 9.681 1.00 0.00 N ATOM 1380 NH2 ARG A 86 109.962 -1.915 11.290 1.00 0.00 N ATOM 0 H ARG A 86 108.622 -1.138 3.578 1.00 0.00 H new ATOM 0 HA ARG A 86 108.617 1.180 5.138 1.00 0.00 H new ATOM 0 HB2 ARG A 86 109.254 -1.345 5.612 1.00 0.00 H new ATOM 0 HB3 ARG A 86 110.873 -0.819 5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 86 110.652 1.000 6.950 1.00 0.00 H new ATOM 0 HG3 ARG A 86 109.124 0.285 7.424 1.00 0.00 H new ATOM 0 HD2 ARG A 86 110.757 -1.929 7.436 1.00 0.00 H new ATOM 0 HD3 ARG A 86 111.896 -0.678 7.893 1.00 0.00 H new ATOM 0 HE ARG A 86 109.790 -0.137 9.558 1.00 0.00 H new ATOM 0 HH11 ARG A 86 111.535 -3.093 8.741 1.00 0.00 H new ATOM 0 HH12 ARG A 86 111.267 -3.829 10.324 1.00 0.00 H new ATOM 0 HH21 ARG A 86 109.444 -1.089 11.589 1.00 0.00 H new ATOM 0 HH22 ARG A 86 110.087 -2.698 11.931 1.00 0.00 H new ATOM 1394 N ILE A 87 111.230 0.890 3.143 1.00 0.00 N ATOM 1395 CA ILE A 87 112.307 1.653 2.541 1.00 0.00 C ATOM 1396 C ILE A 87 111.746 2.801 1.713 1.00 0.00 C ATOM 1397 O ILE A 87 112.342 3.877 1.638 1.00 0.00 O ATOM 1398 CB ILE A 87 113.205 0.771 1.648 1.00 0.00 C ATOM 1399 CG1 ILE A 87 112.422 0.254 0.439 1.00 0.00 C ATOM 1400 CG2 ILE A 87 113.772 -0.389 2.452 1.00 0.00 C ATOM 1401 CD1 ILE A 87 113.302 -0.123 -0.734 1.00 0.00 C ATOM 0 H ILE A 87 111.147 -0.069 2.807 1.00 0.00 H new ATOM 0 HA ILE A 87 112.915 2.048 3.355 1.00 0.00 H new ATOM 0 HB ILE A 87 114.033 1.379 1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 87 111.838 -0.616 0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 87 111.714 1.019 0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 87 114.403 -1.003 1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 87 114.365 -0.002 3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 87 112.954 -0.995 2.843 1.00 0.00 H new ATOM 0 HD11 ILE A 87 112.681 -0.481 -1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 87 113.867 0.750 -1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 87 113.993 -0.910 -0.432 1.00 0.00 H new ATOM 1413 N ALA A 88 110.581 2.573 1.108 1.00 0.00 N ATOM 1414 CA ALA A 88 109.937 3.593 0.294 1.00 0.00 C ATOM 1415 C ALA A 88 109.642 4.826 1.127 1.00 0.00 C ATOM 1416 O ALA A 88 109.661 5.951 0.627 1.00 0.00 O ATOM 1417 CB ALA A 88 108.658 3.050 -0.325 1.00 0.00 C ATOM 0 H ALA A 88 110.068 1.693 1.168 1.00 0.00 H new ATOM 0 HA ALA A 88 110.617 3.874 -0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 88 108.189 3.826 -0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 88 108.894 2.192 -0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 88 107.973 2.743 0.465 1.00 0.00 H new ATOM 1423 N LEU A 89 109.385 4.606 2.408 1.00 0.00 N ATOM 1424 CA LEU A 89 109.091 5.695 3.321 1.00 0.00 C ATOM 1425 C LEU A 89 110.273 6.651 3.398 1.00 0.00 C ATOM 1426 O LEU A 89 110.111 7.869 3.325 1.00 0.00 O ATOM 1427 CB LEU A 89 108.774 5.136 4.709 1.00 0.00 C ATOM 1428 CG LEU A 89 107.642 4.105 4.750 1.00 0.00 C ATOM 1429 CD1 LEU A 89 107.342 3.696 6.183 1.00 0.00 C ATOM 1430 CD2 LEU A 89 106.391 4.650 4.073 1.00 0.00 C ATOM 0 H LEU A 89 109.375 3.681 2.837 1.00 0.00 H new ATOM 0 HA LEU A 89 108.224 6.243 2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 89 109.676 4.678 5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 89 108.514 5.965 5.367 1.00 0.00 H new ATOM 0 HG LEU A 89 107.967 3.220 4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 89 106.535 2.963 6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 89 108.234 3.258 6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 89 107.041 4.573 6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 89 105.600 3.901 4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 89 106.063 5.553 4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 89 106.614 4.886 3.032 1.00 0.00 H new ATOM 1442 N TYR A 90 111.467 6.086 3.522 1.00 0.00 N ATOM 1443 CA TYR A 90 112.679 6.885 3.589 1.00 0.00 C ATOM 1444 C TYR A 90 112.895 7.626 2.284 1.00 0.00 C ATOM 1445 O TYR A 90 113.484 8.707 2.256 1.00 0.00 O ATOM 1446 CB TYR A 90 113.883 6.002 3.904 1.00 0.00 C ATOM 1447 CG TYR A 90 114.477 6.273 5.263 1.00 0.00 C ATOM 1448 CD1 TYR A 90 113.695 6.793 6.286 1.00 0.00 C ATOM 1449 CD2 TYR A 90 115.813 6.010 5.524 1.00 0.00 C ATOM 1450 CE1 TYR A 90 114.231 7.044 7.534 1.00 0.00 C ATOM 1451 CE2 TYR A 90 116.358 6.259 6.770 1.00 0.00 C ATOM 1452 CZ TYR A 90 115.563 6.776 7.771 1.00 0.00 C ATOM 1453 OH TYR A 90 116.101 7.023 9.014 1.00 0.00 O ATOM 0 H TYR A 90 111.620 5.079 3.578 1.00 0.00 H new ATOM 0 HA TYR A 90 112.568 7.616 4.390 1.00 0.00 H new ATOM 0 HB2 TYR A 90 113.583 4.956 3.848 1.00 0.00 H new ATOM 0 HB3 TYR A 90 114.648 6.156 3.143 1.00 0.00 H new ATOM 0 HD1 TYR A 90 112.652 7.004 6.103 1.00 0.00 H new ATOM 0 HD2 TYR A 90 116.438 5.604 4.742 1.00 0.00 H new ATOM 0 HE1 TYR A 90 113.610 7.448 8.320 1.00 0.00 H new ATOM 0 HE2 TYR A 90 117.401 6.050 6.958 1.00 0.00 H new ATOM 0 HH TYR A 90 117.000 7.400 8.912 1.00 0.00 H new ATOM 1463 N GLU A 91 112.405 7.037 1.205 1.00 0.00 N ATOM 1464 CA GLU A 91 112.539 7.642 -0.112 1.00 0.00 C ATOM 1465 C GLU A 91 112.029 9.076 -0.087 1.00 0.00 C ATOM 1466 O GLU A 91 112.645 9.975 -0.660 1.00 0.00 O ATOM 1467 CB GLU A 91 111.770 6.828 -1.154 1.00 0.00 C ATOM 1468 CG GLU A 91 112.000 7.294 -2.583 1.00 0.00 C ATOM 1469 CD GLU A 91 111.534 6.281 -3.609 1.00 0.00 C ATOM 1470 OE1 GLU A 91 111.652 5.066 -3.342 1.00 0.00 O ATOM 1471 OE2 GLU A 91 111.050 6.701 -4.682 1.00 0.00 O ATOM 0 H GLU A 91 111.912 6.144 1.214 1.00 0.00 H new ATOM 0 HA GLU A 91 113.594 7.649 -0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 91 112.061 5.781 -1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 91 110.705 6.882 -0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 91 111.475 8.236 -2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 91 113.062 7.492 -2.730 1.00 0.00 H new ATOM 1478 N LEU A 92 110.907 9.288 0.593 1.00 0.00 N ATOM 1479 CA LEU A 92 110.326 10.619 0.703 1.00 0.00 C ATOM 1480 C LEU A 92 111.183 11.506 1.600 1.00 0.00 C ATOM 1481 O LEU A 92 111.329 12.704 1.354 1.00 0.00 O ATOM 1482 CB LEU A 92 108.903 10.532 1.253 1.00 0.00 C ATOM 1483 CG LEU A 92 108.055 9.407 0.660 1.00 0.00 C ATOM 1484 CD1 LEU A 92 107.604 8.449 1.749 1.00 0.00 C ATOM 1485 CD2 LEU A 92 106.858 9.977 -0.084 1.00 0.00 C ATOM 0 H LEU A 92 110.384 8.557 1.075 1.00 0.00 H new ATOM 0 HA LEU A 92 110.292 11.063 -0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 92 108.954 10.399 2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 92 108.400 11.482 1.072 1.00 0.00 H new ATOM 0 HG LEU A 92 108.667 8.852 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 92 107.002 7.655 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 92 108.477 8.015 2.236 1.00 0.00 H new ATOM 0 HD13 LEU A 92 107.009 8.989 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 92 106.266 9.162 -0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 92 106.244 10.557 0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 92 107.205 10.622 -0.892 1.00 0.00 H new ATOM 1497 N SER A 93 111.744 10.904 2.646 1.00 0.00 N ATOM 1498 CA SER A 93 112.585 11.630 3.590 1.00 0.00 C ATOM 1499 C SER A 93 113.964 11.907 2.997 1.00 0.00 C ATOM 1500 O SER A 93 114.470 13.025 3.074 1.00 0.00 O ATOM 1501 CB SER A 93 112.724 10.834 4.890 1.00 0.00 C ATOM 1502 OG SER A 93 113.877 10.011 4.865 1.00 0.00 O ATOM 0 H SER A 93 111.630 9.913 2.860 1.00 0.00 H new ATOM 0 HA SER A 93 112.108 12.586 3.803 1.00 0.00 H new ATOM 0 HB2 SER A 93 112.782 11.520 5.735 1.00 0.00 H new ATOM 0 HB3 SER A 93 111.837 10.218 5.039 1.00 0.00 H new ATOM 0 HG SER A 93 113.696 9.179 5.350 1.00 0.00 H new ATOM 1508 N LYS A 94 114.565 10.879 2.407 1.00 0.00 N ATOM 1509 CA LYS A 94 115.885 11.008 1.802 1.00 0.00 C ATOM 1510 C LYS A 94 115.785 11.023 0.280 1.00 0.00 C ATOM 1511 O LYS A 94 116.650 10.488 -0.414 1.00 0.00 O ATOM 1512 CB LYS A 94 116.791 9.862 2.254 1.00 0.00 C ATOM 1513 CG LYS A 94 116.637 9.508 3.724 1.00 0.00 C ATOM 1514 CD LYS A 94 116.895 10.711 4.617 1.00 0.00 C ATOM 1515 CE LYS A 94 116.454 10.447 6.047 1.00 0.00 C ATOM 1516 NZ LYS A 94 117.562 10.662 7.019 1.00 0.00 N ATOM 0 H LYS A 94 114.158 9.946 2.335 1.00 0.00 H new ATOM 0 HA LYS A 94 116.317 11.953 2.130 1.00 0.00 H new ATOM 0 HB2 LYS A 94 116.574 8.980 1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 94 117.829 10.133 2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 94 115.631 9.129 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 94 117.331 8.707 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 94 117.957 10.956 4.602 1.00 0.00 H new ATOM 0 HD3 LYS A 94 116.363 11.578 4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 94 115.620 11.103 6.297 1.00 0.00 H new ATOM 0 HE3 LYS A 94 116.091 9.423 6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 117.220 10.472 7.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 118.348 10.019 6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 117.892 11.646 6.957 1.00 0.00 H new ATOM 1530 N ARG A 95 114.724 11.639 -0.231 1.00 0.00 N ATOM 1531 CA ARG A 95 114.510 11.723 -1.671 1.00 0.00 C ATOM 1532 C ARG A 95 115.694 12.393 -2.359 1.00 0.00 C ATOM 1533 O ARG A 95 116.707 12.689 -1.725 1.00 0.00 O ATOM 1534 CB ARG A 95 113.225 12.495 -1.973 1.00 0.00 C ATOM 1535 CG ARG A 95 113.367 14.000 -1.815 1.00 0.00 C ATOM 1536 CD ARG A 95 112.021 14.701 -1.909 1.00 0.00 C ATOM 1537 NE ARG A 95 111.809 15.631 -0.805 1.00 0.00 N ATOM 1538 CZ ARG A 95 112.571 16.698 -0.583 1.00 0.00 C ATOM 1539 NH1 ARG A 95 113.589 16.967 -1.389 1.00 0.00 N ATOM 1540 NH2 ARG A 95 112.315 17.498 0.444 1.00 0.00 N ATOM 0 H ARG A 95 114.000 12.087 0.330 1.00 0.00 H new ATOM 0 HA ARG A 95 114.415 10.709 -2.058 1.00 0.00 H new ATOM 0 HB2 ARG A 95 112.909 12.273 -2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 95 112.435 12.142 -1.311 1.00 0.00 H new ATOM 0 HG2 ARG A 95 113.828 14.224 -0.853 1.00 0.00 H new ATOM 0 HG3 ARG A 95 114.034 14.386 -2.586 1.00 0.00 H new ATOM 0 HD2 ARG A 95 111.959 15.240 -2.854 1.00 0.00 H new ATOM 0 HD3 ARG A 95 111.225 13.957 -1.914 1.00 0.00 H new ATOM 0 HE ARG A 95 111.033 15.453 -0.168 1.00 0.00 H new ATOM 0 HH11 ARG A 95 113.788 16.355 -2.180 1.00 0.00 H new ATOM 0 HH12 ARG A 95 114.173 17.786 -1.218 1.00 0.00 H new ATOM 0 HH21 ARG A 95 111.532 17.295 1.066 1.00 0.00 H new ATOM 0 HH22 ARG A 95 112.901 18.316 0.612 1.00 0.00 H new ATOM 1554 N SER A 96 115.560 12.631 -3.660 1.00 0.00 N ATOM 1555 CA SER A 96 116.619 13.267 -4.435 1.00 0.00 C ATOM 1556 C SER A 96 116.056 14.369 -5.326 1.00 0.00 C ATOM 1557 O SER A 96 116.361 15.547 -5.141 1.00 0.00 O ATOM 1558 CB SER A 96 117.350 12.228 -5.288 1.00 0.00 C ATOM 1559 OG SER A 96 117.805 11.145 -4.495 1.00 0.00 O ATOM 0 H SER A 96 114.728 12.393 -4.200 1.00 0.00 H new ATOM 0 HA SER A 96 117.326 13.716 -3.737 1.00 0.00 H new ATOM 0 HB2 SER A 96 116.683 11.858 -6.066 1.00 0.00 H new ATOM 0 HB3 SER A 96 118.197 12.696 -5.790 1.00 0.00 H new ATOM 0 HG SER A 96 118.267 10.495 -5.064 1.00 0.00 H new ATOM 1565 N ASP A 97 115.231 13.978 -6.292 1.00 0.00 N ATOM 1566 CA ASP A 97 114.624 14.932 -7.213 1.00 0.00 C ATOM 1567 C ASP A 97 113.205 14.508 -7.577 1.00 0.00 C ATOM 1568 O ASP A 97 112.714 14.817 -8.663 1.00 0.00 O ATOM 1569 CB ASP A 97 115.472 15.061 -8.480 1.00 0.00 C ATOM 1570 CG ASP A 97 115.642 16.503 -8.918 1.00 0.00 C ATOM 1571 OD1 ASP A 97 114.624 17.219 -9.009 1.00 0.00 O ATOM 1572 OD2 ASP A 97 116.794 16.915 -9.169 1.00 0.00 O ATOM 0 H ASP A 97 114.967 13.007 -6.457 1.00 0.00 H new ATOM 0 HA ASP A 97 114.578 15.901 -6.716 1.00 0.00 H new ATOM 0 HB2 ASP A 97 116.453 14.620 -8.304 1.00 0.00 H new ATOM 0 HB3 ASP A 97 115.007 14.492 -9.285 1.00 0.00 H new ATOM 1577 N VAL A 98 112.552 13.799 -6.663 1.00 0.00 N ATOM 1578 CA VAL A 98 111.188 13.332 -6.888 1.00 0.00 C ATOM 1579 C VAL A 98 110.285 13.687 -5.713 1.00 0.00 C ATOM 1580 O VAL A 98 110.660 13.516 -4.553 1.00 0.00 O ATOM 1581 CB VAL A 98 111.147 11.808 -7.110 1.00 0.00 C ATOM 1582 CG1 VAL A 98 110.317 11.131 -6.029 1.00 0.00 C ATOM 1583 CG2 VAL A 98 110.601 11.484 -8.493 1.00 0.00 C ATOM 0 H VAL A 98 112.945 13.535 -5.759 1.00 0.00 H new ATOM 0 HA VAL A 98 110.825 13.833 -7.785 1.00 0.00 H new ATOM 0 HB VAL A 98 112.165 11.424 -7.047 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.300 10.055 -6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 98 110.757 11.333 -5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.299 11.519 -6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 98 110.580 10.403 -8.632 1.00 0.00 H new ATOM 0 HG22 VAL A 98 109.591 11.882 -8.588 1.00 0.00 H new ATOM 0 HG23 VAL A 98 111.241 11.934 -9.252 1.00 0.00 H new ATOM 1593 N PRO A 99 109.073 14.185 -6.003 1.00 0.00 N ATOM 1594 CA PRO A 99 108.104 14.566 -4.970 1.00 0.00 C ATOM 1595 C PRO A 99 107.668 13.376 -4.123 1.00 0.00 C ATOM 1596 O PRO A 99 108.335 12.341 -4.099 1.00 0.00 O ATOM 1597 CB PRO A 99 106.918 15.119 -5.768 1.00 0.00 C ATOM 1598 CG PRO A 99 107.074 14.550 -7.137 1.00 0.00 C ATOM 1599 CD PRO A 99 108.553 14.414 -7.360 1.00 0.00 C ATOM 0 HA PRO A 99 108.525 15.282 -4.264 1.00 0.00 H new ATOM 0 HB2 PRO A 99 105.969 14.820 -5.322 1.00 0.00 H new ATOM 0 HB3 PRO A 99 106.931 16.209 -5.790 1.00 0.00 H new ATOM 0 HG2 PRO A 99 106.576 13.584 -7.217 1.00 0.00 H new ATOM 0 HG3 PRO A 99 106.625 15.203 -7.885 1.00 0.00 H new ATOM 0 HD2 PRO A 99 108.786 13.584 -8.027 1.00 0.00 H new ATOM 0 HD3 PRO A 99 108.978 15.312 -7.809 1.00 0.00 H new ATOM 1607 N TYR A 100 106.546 13.528 -3.428 1.00 0.00 N ATOM 1608 CA TYR A 100 106.023 12.463 -2.578 1.00 0.00 C ATOM 1609 C TYR A 100 104.943 11.665 -3.303 1.00 0.00 C ATOM 1610 O TYR A 100 104.954 10.434 -3.291 1.00 0.00 O ATOM 1611 CB TYR A 100 105.462 13.046 -1.280 1.00 0.00 C ATOM 1612 CG TYR A 100 103.977 13.327 -1.329 1.00 0.00 C ATOM 1613 CD1 TYR A 100 103.488 14.476 -1.940 1.00 0.00 C ATOM 1614 CD2 TYR A 100 103.064 12.445 -0.763 1.00 0.00 C ATOM 1615 CE1 TYR A 100 102.131 14.736 -1.986 1.00 0.00 C ATOM 1616 CE2 TYR A 100 101.706 12.698 -0.807 1.00 0.00 C ATOM 1617 CZ TYR A 100 101.245 13.843 -1.419 1.00 0.00 C ATOM 1618 OH TYR A 100 99.894 14.100 -1.464 1.00 0.00 O ATOM 0 H TYR A 100 105.981 14.377 -3.436 1.00 0.00 H new ATOM 0 HA TYR A 100 106.845 11.788 -2.338 1.00 0.00 H new ATOM 0 HB2 TYR A 100 105.664 12.352 -0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 100 105.990 13.971 -1.050 1.00 0.00 H new ATOM 0 HD1 TYR A 100 104.179 15.176 -2.386 1.00 0.00 H new ATOM 0 HD2 TYR A 100 103.422 11.547 -0.281 1.00 0.00 H new ATOM 0 HE1 TYR A 100 101.766 15.634 -2.463 1.00 0.00 H new ATOM 0 HE2 TYR A 100 101.010 12.002 -0.364 1.00 0.00 H new ATOM 0 HH TYR A 100 99.408 13.373 -1.021 1.00 0.00 H new ATOM 1628 N LYS A 101 104.013 12.373 -3.936 1.00 0.00 N ATOM 1629 CA LYS A 101 102.925 11.728 -4.663 1.00 0.00 C ATOM 1630 C LYS A 101 103.472 10.797 -5.738 1.00 0.00 C ATOM 1631 O LYS A 101 102.967 9.692 -5.934 1.00 0.00 O ATOM 1632 CB LYS A 101 102.013 12.778 -5.297 1.00 0.00 C ATOM 1633 CG LYS A 101 100.701 12.976 -4.554 1.00 0.00 C ATOM 1634 CD LYS A 101 99.522 12.438 -5.349 1.00 0.00 C ATOM 1635 CE LYS A 101 98.255 12.398 -4.512 1.00 0.00 C ATOM 1636 NZ LYS A 101 97.111 13.055 -5.201 1.00 0.00 N ATOM 0 H LYS A 101 103.991 13.392 -3.960 1.00 0.00 H new ATOM 0 HA LYS A 101 102.346 11.137 -3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 101 102.543 13.729 -5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 101 101.798 12.487 -6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 101 100.749 12.473 -3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 101 100.552 14.037 -4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 101 99.359 13.063 -6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 101 99.753 11.435 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 101 97.999 11.362 -4.291 1.00 0.00 H new ATOM 0 HE3 LYS A 101 98.435 12.892 -3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 96.267 13.006 -4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 97.345 14.051 -5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 96.921 12.568 -6.100 1.00 0.00 H new ATOM 1650 N VAL A 102 104.513 11.247 -6.429 1.00 0.00 N ATOM 1651 CA VAL A 102 105.132 10.449 -7.477 1.00 0.00 C ATOM 1652 C VAL A 102 105.772 9.192 -6.897 1.00 0.00 C ATOM 1653 O VAL A 102 105.785 8.139 -7.532 1.00 0.00 O ATOM 1654 CB VAL A 102 106.203 11.251 -8.240 1.00 0.00 C ATOM 1655 CG1 VAL A 102 107.523 11.232 -7.485 1.00 0.00 C ATOM 1656 CG2 VAL A 102 106.376 10.703 -9.649 1.00 0.00 C ATOM 0 H VAL A 102 104.945 12.159 -6.282 1.00 0.00 H new ATOM 0 HA VAL A 102 104.340 10.168 -8.172 1.00 0.00 H new ATOM 0 HB VAL A 102 105.871 12.286 -8.316 1.00 0.00 H new ATOM 0 HG11 VAL A 102 108.267 11.804 -8.039 1.00 0.00 H new ATOM 0 HG12 VAL A 102 107.385 11.676 -6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 102 107.864 10.203 -7.375 1.00 0.00 H new ATOM 0 HG21 VAL A 102 107.136 11.282 -10.174 1.00 0.00 H new ATOM 0 HG22 VAL A 102 106.685 9.659 -9.598 1.00 0.00 H new ATOM 0 HG23 VAL A 102 105.430 10.775 -10.186 1.00 0.00 H new ATOM 1666 N ALA A 103 106.303 9.316 -5.684 1.00 0.00 N ATOM 1667 CA ALA A 103 106.946 8.192 -5.015 1.00 0.00 C ATOM 1668 C ALA A 103 105.940 7.096 -4.687 1.00 0.00 C ATOM 1669 O ALA A 103 106.305 5.929 -4.545 1.00 0.00 O ATOM 1670 CB ALA A 103 107.646 8.665 -3.750 1.00 0.00 C ATOM 0 H ALA A 103 106.300 10.183 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 103 107.688 7.773 -5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 103 108.123 7.817 -3.259 1.00 0.00 H new ATOM 0 HB2 ALA A 103 108.402 9.407 -4.008 1.00 0.00 H new ATOM 0 HB3 ALA A 103 106.916 9.111 -3.075 1.00 0.00 H new ATOM 1676 N ILE A 104 104.672 7.477 -4.564 1.00 0.00 N ATOM 1677 CA ILE A 104 103.618 6.521 -4.247 1.00 0.00 C ATOM 1678 C ILE A 104 103.557 5.423 -5.293 1.00 0.00 C ATOM 1679 O ILE A 104 103.204 4.280 -5.001 1.00 0.00 O ATOM 1680 CB ILE A 104 102.239 7.204 -4.166 1.00 0.00 C ATOM 1681 CG1 ILE A 104 102.309 8.459 -3.295 1.00 0.00 C ATOM 1682 CG2 ILE A 104 101.201 6.232 -3.625 1.00 0.00 C ATOM 1683 CD1 ILE A 104 103.308 8.363 -2.162 1.00 0.00 C ATOM 0 H ILE A 104 104.351 8.438 -4.679 1.00 0.00 H new ATOM 0 HA ILE A 104 103.860 6.093 -3.274 1.00 0.00 H new ATOM 0 HB ILE A 104 101.942 7.505 -5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 104 102.567 9.312 -3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 104 101.321 8.657 -2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 104 100.231 6.727 -3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 104 101.132 5.368 -4.286 1.00 0.00 H new ATOM 0 HG23 ILE A 104 101.495 5.904 -2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 104 103.300 9.291 -1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 104 103.040 7.532 -1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 104 104.305 8.197 -2.569 1.00 0.00 H new ATOM 1695 N ASN A 105 103.909 5.787 -6.515 1.00 0.00 N ATOM 1696 CA ASN A 105 103.904 4.847 -7.629 1.00 0.00 C ATOM 1697 C ASN A 105 104.919 3.730 -7.406 1.00 0.00 C ATOM 1698 O ASN A 105 104.737 2.608 -7.879 1.00 0.00 O ATOM 1699 CB ASN A 105 104.209 5.577 -8.939 1.00 0.00 C ATOM 1700 CG ASN A 105 103.866 4.745 -10.158 1.00 0.00 C ATOM 1701 OD1 ASN A 105 103.482 3.581 -10.042 1.00 0.00 O ATOM 1702 ND2 ASN A 105 104.003 5.339 -11.338 1.00 0.00 N ATOM 0 H ASN A 105 104.204 6.731 -6.764 1.00 0.00 H new ATOM 0 HA ASN A 105 102.911 4.401 -7.691 1.00 0.00 H new ATOM 0 HB2 ASN A 105 103.648 6.511 -8.970 1.00 0.00 H new ATOM 0 HB3 ASN A 105 105.267 5.840 -8.968 1.00 0.00 H new ATOM 0 HD21 ASN A 105 103.787 4.828 -12.194 1.00 0.00 H new ATOM 0 HD22 ASN A 105 104.324 6.306 -11.388 1.00 0.00 H new ATOM 1709 N GLU A 106 105.990 4.049 -6.688 1.00 0.00 N ATOM 1710 CA GLU A 106 107.042 3.077 -6.403 1.00 0.00 C ATOM 1711 C GLU A 106 106.490 1.855 -5.673 1.00 0.00 C ATOM 1712 O GLU A 106 106.989 0.743 -5.843 1.00 0.00 O ATOM 1713 CB GLU A 106 108.148 3.726 -5.570 1.00 0.00 C ATOM 1714 CG GLU A 106 108.695 5.008 -6.177 1.00 0.00 C ATOM 1715 CD GLU A 106 109.841 4.755 -7.137 1.00 0.00 C ATOM 1716 OE1 GLU A 106 110.161 3.573 -7.381 1.00 0.00 O ATOM 1717 OE2 GLU A 106 110.418 5.739 -7.644 1.00 0.00 O ATOM 0 H GLU A 106 106.154 4.974 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 106 107.455 2.744 -7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 106 107.762 3.942 -4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 106 108.965 3.014 -5.448 1.00 0.00 H new ATOM 0 HG2 GLU A 106 107.894 5.528 -6.702 1.00 0.00 H new ATOM 0 HG3 GLU A 106 109.034 5.668 -5.379 1.00 0.00 H new ATOM 1724 N ALA A 107 105.455 2.064 -4.864 1.00 0.00 N ATOM 1725 CA ALA A 107 104.844 0.974 -4.117 1.00 0.00 C ATOM 1726 C ALA A 107 104.630 -0.231 -5.018 1.00 0.00 C ATOM 1727 O ALA A 107 105.360 -1.221 -4.941 1.00 0.00 O ATOM 1728 CB ALA A 107 103.524 1.425 -3.514 1.00 0.00 C ATOM 0 H ALA A 107 105.025 2.976 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 107 105.516 0.686 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 107 103.077 0.601 -2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 107 103.699 2.264 -2.841 1.00 0.00 H new ATOM 0 HB3 ALA A 107 102.847 1.734 -4.310 1.00 0.00 H new ATOM 1734 N ILE A 108 103.622 -0.134 -5.876 1.00 0.00 N ATOM 1735 CA ILE A 108 103.295 -1.209 -6.796 1.00 0.00 C ATOM 1736 C ILE A 108 104.547 -1.810 -7.424 1.00 0.00 C ATOM 1737 O ILE A 108 104.601 -3.009 -7.697 1.00 0.00 O ATOM 1738 CB ILE A 108 102.357 -0.732 -7.920 1.00 0.00 C ATOM 1739 CG1 ILE A 108 101.311 0.238 -7.366 1.00 0.00 C ATOM 1740 CG2 ILE A 108 101.684 -1.921 -8.588 1.00 0.00 C ATOM 1741 CD1 ILE A 108 100.172 0.510 -8.324 1.00 0.00 C ATOM 0 H ILE A 108 103.016 0.683 -5.952 1.00 0.00 H new ATOM 0 HA ILE A 108 102.787 -1.971 -6.205 1.00 0.00 H new ATOM 0 HB ILE A 108 102.950 -0.207 -8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 108 100.906 -0.168 -6.439 1.00 0.00 H new ATOM 0 HG13 ILE A 108 101.798 1.181 -7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 108 101.024 -1.568 -9.380 1.00 0.00 H new ATOM 0 HG22 ILE A 108 102.443 -2.577 -9.014 1.00 0.00 H new ATOM 0 HG23 ILE A 108 101.102 -2.472 -7.849 1.00 0.00 H new ATOM 0 HD11 ILE A 108 99.469 1.205 -7.865 1.00 0.00 H new ATOM 0 HD12 ILE A 108 100.565 0.945 -9.243 1.00 0.00 H new ATOM 0 HD13 ILE A 108 99.660 -0.424 -8.555 1.00 0.00 H new ATOM 1753 N GLU A 109 105.549 -0.971 -7.658 1.00 0.00 N ATOM 1754 CA GLU A 109 106.796 -1.425 -8.262 1.00 0.00 C ATOM 1755 C GLU A 109 107.448 -2.513 -7.415 1.00 0.00 C ATOM 1756 O GLU A 109 107.671 -3.630 -7.882 1.00 0.00 O ATOM 1757 CB GLU A 109 107.760 -0.251 -8.436 1.00 0.00 C ATOM 1758 CG GLU A 109 108.299 -0.112 -9.851 1.00 0.00 C ATOM 1759 CD GLU A 109 108.425 1.335 -10.287 1.00 0.00 C ATOM 1760 OE1 GLU A 109 107.663 2.179 -9.770 1.00 0.00 O ATOM 1761 OE2 GLU A 109 109.285 1.624 -11.145 1.00 0.00 O ATOM 0 H GLU A 109 105.523 0.025 -7.439 1.00 0.00 H new ATOM 0 HA GLU A 109 106.564 -1.844 -9.241 1.00 0.00 H new ATOM 0 HB2 GLU A 109 107.250 0.671 -8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 109 108.596 -0.373 -7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 109 109.275 -0.593 -9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 109 107.640 -0.639 -10.540 1.00 0.00 H new ATOM 1768 N LEU A 110 107.746 -2.179 -6.165 1.00 0.00 N ATOM 1769 CA LEU A 110 108.374 -3.125 -5.250 1.00 0.00 C ATOM 1770 C LEU A 110 107.351 -4.107 -4.687 1.00 0.00 C ATOM 1771 O LEU A 110 107.672 -4.930 -3.831 1.00 0.00 O ATOM 1772 CB LEU A 110 109.063 -2.371 -4.113 1.00 0.00 C ATOM 1773 CG LEU A 110 110.216 -1.463 -4.543 1.00 0.00 C ATOM 1774 CD1 LEU A 110 111.338 -1.502 -3.517 1.00 0.00 C ATOM 1775 CD2 LEU A 110 110.731 -1.870 -5.915 1.00 0.00 C ATOM 0 H LEU A 110 107.563 -1.260 -5.762 1.00 0.00 H new ATOM 0 HA LEU A 110 109.118 -3.695 -5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 110 108.319 -1.766 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 110 109.441 -3.097 -3.393 1.00 0.00 H new ATOM 0 HG LEU A 110 109.844 -0.440 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 110 112.149 -0.850 -3.840 1.00 0.00 H new ATOM 0 HD12 LEU A 110 110.961 -1.162 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 110 111.709 -2.523 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 110 111.551 -1.213 -6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 110 111.086 -2.900 -5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 110 109.925 -1.789 -6.645 1.00 0.00 H new ATOM 1787 N ALA A 111 106.121 -4.019 -5.181 1.00 0.00 N ATOM 1788 CA ALA A 111 105.055 -4.903 -4.734 1.00 0.00 C ATOM 1789 C ALA A 111 104.533 -5.754 -5.887 1.00 0.00 C ATOM 1790 O ALA A 111 103.586 -6.523 -5.724 1.00 0.00 O ATOM 1791 CB ALA A 111 103.926 -4.094 -4.117 1.00 0.00 C ATOM 0 H ALA A 111 105.839 -3.344 -5.891 1.00 0.00 H new ATOM 0 HA ALA A 111 105.461 -5.573 -3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 111 103.135 -4.767 -3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 111 104.305 -3.533 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 111 103.527 -3.401 -4.858 1.00 0.00 H new ATOM 1797 N LYS A 112 105.158 -5.614 -7.054 1.00 0.00 N ATOM 1798 CA LYS A 112 104.754 -6.375 -8.232 1.00 0.00 C ATOM 1799 C LYS A 112 105.851 -7.346 -8.658 1.00 0.00 C ATOM 1800 O LYS A 112 105.695 -8.087 -9.628 1.00 0.00 O ATOM 1801 CB LYS A 112 104.424 -5.429 -9.387 1.00 0.00 C ATOM 1802 CG LYS A 112 102.933 -5.230 -9.604 1.00 0.00 C ATOM 1803 CD LYS A 112 102.620 -4.901 -11.056 1.00 0.00 C ATOM 1804 CE LYS A 112 101.123 -4.873 -11.310 1.00 0.00 C ATOM 1805 NZ LYS A 112 100.620 -6.180 -11.817 1.00 0.00 N ATOM 0 H LYS A 112 105.944 -4.982 -7.208 1.00 0.00 H new ATOM 0 HA LYS A 112 103.865 -6.949 -7.973 1.00 0.00 H new ATOM 0 HB2 LYS A 112 104.887 -4.461 -9.196 1.00 0.00 H new ATOM 0 HB3 LYS A 112 104.867 -5.819 -10.303 1.00 0.00 H new ATOM 0 HG2 LYS A 112 102.398 -6.133 -9.311 1.00 0.00 H new ATOM 0 HG3 LYS A 112 102.575 -4.425 -8.962 1.00 0.00 H new ATOM 0 HD2 LYS A 112 103.052 -3.933 -11.312 1.00 0.00 H new ATOM 0 HD3 LYS A 112 103.087 -5.641 -11.707 1.00 0.00 H new ATOM 0 HE2 LYS A 112 100.603 -4.618 -10.387 1.00 0.00 H new ATOM 0 HE3 LYS A 112 100.892 -4.090 -12.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 99.594 -6.119 -11.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 101.097 -6.412 -12.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 100.817 -6.923 -11.117 1.00 0.00 H new ATOM 1819 N SER A 113 106.963 -7.336 -7.928 1.00 0.00 N ATOM 1820 CA SER A 113 108.087 -8.214 -8.232 1.00 0.00 C ATOM 1821 C SER A 113 108.941 -8.460 -6.994 1.00 0.00 C ATOM 1822 O SER A 113 109.420 -9.571 -6.768 1.00 0.00 O ATOM 1823 CB SER A 113 108.945 -7.606 -9.343 1.00 0.00 C ATOM 1824 OG SER A 113 109.672 -8.606 -10.033 1.00 0.00 O ATOM 0 H SER A 113 107.109 -6.729 -7.121 1.00 0.00 H new ATOM 0 HA SER A 113 107.687 -9.171 -8.568 1.00 0.00 H new ATOM 0 HB2 SER A 113 108.308 -7.067 -10.044 1.00 0.00 H new ATOM 0 HB3 SER A 113 109.636 -6.879 -8.916 1.00 0.00 H new ATOM 0 HG SER A 113 110.211 -8.191 -10.739 1.00 0.00 H new ATOM 1830 N PHE A 114 109.133 -7.414 -6.196 1.00 0.00 N ATOM 1831 CA PHE A 114 109.937 -7.513 -4.982 1.00 0.00 C ATOM 1832 C PHE A 114 109.146 -8.159 -3.847 1.00 0.00 C ATOM 1833 O PHE A 114 109.623 -8.236 -2.715 1.00 0.00 O ATOM 1834 CB PHE A 114 110.424 -6.128 -4.559 1.00 0.00 C ATOM 1835 CG PHE A 114 111.549 -5.606 -5.406 1.00 0.00 C ATOM 1836 CD1 PHE A 114 111.291 -5.015 -6.633 1.00 0.00 C ATOM 1837 CD2 PHE A 114 112.863 -5.708 -4.977 1.00 0.00 C ATOM 1838 CE1 PHE A 114 112.324 -4.534 -7.417 1.00 0.00 C ATOM 1839 CE2 PHE A 114 113.899 -5.231 -5.757 1.00 0.00 C ATOM 1840 CZ PHE A 114 113.629 -4.643 -6.978 1.00 0.00 C ATOM 0 H PHE A 114 108.743 -6.488 -6.368 1.00 0.00 H new ATOM 0 HA PHE A 114 110.798 -8.146 -5.198 1.00 0.00 H new ATOM 0 HB2 PHE A 114 109.590 -5.428 -4.605 1.00 0.00 H new ATOM 0 HB3 PHE A 114 110.750 -6.168 -3.520 1.00 0.00 H new ATOM 0 HD1 PHE A 114 110.272 -4.929 -6.981 1.00 0.00 H new ATOM 0 HD2 PHE A 114 113.079 -6.165 -4.023 1.00 0.00 H new ATOM 0 HE1 PHE A 114 112.111 -4.074 -8.371 1.00 0.00 H new ATOM 0 HE2 PHE A 114 114.919 -5.318 -5.413 1.00 0.00 H new ATOM 0 HZ PHE A 114 114.438 -4.269 -7.588 1.00 0.00 H new ATOM 1850 N GLY A 115 107.938 -8.620 -4.155 1.00 0.00 N ATOM 1851 CA GLY A 115 107.109 -9.250 -3.145 1.00 0.00 C ATOM 1852 C GLY A 115 106.105 -10.218 -3.740 1.00 0.00 C ATOM 1853 O GLY A 115 106.475 -11.288 -4.223 1.00 0.00 O ATOM 0 H GLY A 115 107.519 -8.569 -5.084 1.00 0.00 H new ATOM 0 HA2 GLY A 115 107.745 -9.781 -2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 115 106.579 -8.481 -2.583 1.00 0.00 H new ATOM 1857 N ALA A 116 104.833 -9.840 -3.704 1.00 0.00 N ATOM 1858 CA ALA A 116 103.770 -10.681 -4.243 1.00 0.00 C ATOM 1859 C ALA A 116 102.900 -9.903 -5.224 1.00 0.00 C ATOM 1860 O ALA A 116 102.854 -8.674 -5.188 1.00 0.00 O ATOM 1861 CB ALA A 116 102.922 -11.246 -3.115 1.00 0.00 C ATOM 0 H ALA A 116 104.512 -8.957 -3.307 1.00 0.00 H new ATOM 0 HA ALA A 116 104.232 -11.507 -4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 116 102.133 -11.872 -3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 116 103.548 -11.845 -2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 116 102.476 -10.427 -2.550 1.00 0.00 H new ATOM 1867 N GLU A 117 102.211 -10.627 -6.101 1.00 0.00 N ATOM 1868 CA GLU A 117 101.343 -10.003 -7.092 1.00 0.00 C ATOM 1869 C GLU A 117 99.923 -9.852 -6.558 1.00 0.00 C ATOM 1870 O GLU A 117 99.215 -8.906 -6.906 1.00 0.00 O ATOM 1871 CB GLU A 117 101.331 -10.826 -8.381 1.00 0.00 C ATOM 1872 CG GLU A 117 100.961 -10.019 -9.615 1.00 0.00 C ATOM 1873 CD GLU A 117 100.246 -10.851 -10.663 1.00 0.00 C ATOM 1874 OE1 GLU A 117 100.800 -11.892 -11.072 1.00 0.00 O ATOM 1875 OE2 GLU A 117 99.133 -10.459 -11.073 1.00 0.00 O ATOM 0 H GLU A 117 102.237 -11.646 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 117 101.737 -9.010 -7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 117 102.316 -11.269 -8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 117 100.625 -11.649 -8.270 1.00 0.00 H new ATOM 0 HG2 GLU A 117 100.324 -9.185 -9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 117 101.865 -9.592 -10.050 1.00 0.00 H new ATOM 1882 N ASP A 118 99.511 -10.790 -5.710 1.00 0.00 N ATOM 1883 CA ASP A 118 98.175 -10.761 -5.127 1.00 0.00 C ATOM 1884 C ASP A 118 97.736 -9.327 -4.848 1.00 0.00 C ATOM 1885 O ASP A 118 96.745 -8.851 -5.402 1.00 0.00 O ATOM 1886 CB ASP A 118 98.142 -11.578 -3.833 1.00 0.00 C ATOM 1887 CG ASP A 118 97.883 -13.050 -4.087 1.00 0.00 C ATOM 1888 OD1 ASP A 118 98.778 -13.723 -4.640 1.00 0.00 O ATOM 1889 OD2 ASP A 118 96.786 -13.530 -3.730 1.00 0.00 O ATOM 0 H ASP A 118 100.084 -11.579 -5.412 1.00 0.00 H new ATOM 0 HA ASP A 118 97.482 -11.202 -5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 118 99.091 -11.464 -3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 118 97.367 -11.183 -3.177 1.00 0.00 H new ATOM 1894 N SER A 119 98.482 -8.643 -3.987 1.00 0.00 N ATOM 1895 CA SER A 119 98.174 -7.261 -3.636 1.00 0.00 C ATOM 1896 C SER A 119 99.176 -6.306 -4.277 1.00 0.00 C ATOM 1897 O SER A 119 100.209 -5.987 -3.688 1.00 0.00 O ATOM 1898 CB SER A 119 98.185 -7.085 -2.116 1.00 0.00 C ATOM 1899 OG SER A 119 97.037 -7.670 -1.527 1.00 0.00 O ATOM 0 H SER A 119 99.305 -9.023 -3.519 1.00 0.00 H new ATOM 0 HA SER A 119 97.179 -7.026 -4.014 1.00 0.00 H new ATOM 0 HB2 SER A 119 99.083 -7.541 -1.700 1.00 0.00 H new ATOM 0 HB3 SER A 119 98.223 -6.024 -1.870 1.00 0.00 H new ATOM 0 HG SER A 119 97.068 -7.546 -0.555 1.00 0.00 H new ATOM 1905 N HIS A 120 98.865 -5.855 -5.489 1.00 0.00 N ATOM 1906 CA HIS A 120 99.741 -4.939 -6.209 1.00 0.00 C ATOM 1907 C HIS A 120 99.302 -3.491 -6.014 1.00 0.00 C ATOM 1908 O HIS A 120 100.005 -2.700 -5.390 1.00 0.00 O ATOM 1909 CB HIS A 120 99.757 -5.282 -7.701 1.00 0.00 C ATOM 1910 CG HIS A 120 98.423 -5.707 -8.233 1.00 0.00 C ATOM 1911 ND1 HIS A 120 97.858 -6.933 -7.955 1.00 0.00 N ATOM 1912 CD2 HIS A 120 97.541 -5.060 -9.031 1.00 0.00 C ATOM 1913 CE1 HIS A 120 96.686 -7.022 -8.560 1.00 0.00 C ATOM 1914 NE2 HIS A 120 96.472 -5.899 -9.218 1.00 0.00 N ATOM 0 H HIS A 120 98.014 -6.109 -5.991 1.00 0.00 H new ATOM 0 HA HIS A 120 100.747 -5.050 -5.805 1.00 0.00 H new ATOM 0 HB2 HIS A 120 100.102 -4.413 -8.261 1.00 0.00 H new ATOM 0 HB3 HIS A 120 100.479 -6.080 -7.874 1.00 0.00 H new ATOM 0 HD1 HIS A 120 98.278 -7.658 -7.374 1.00 0.00 H new ATOM 0 HD2 HIS A 120 97.657 -4.069 -9.443 1.00 0.00 H new ATOM 0 HE1 HIS A 120 96.018 -7.870 -8.522 1.00 0.00 H new ATOM 1923 N LYS A 121 98.139 -3.150 -6.556 1.00 0.00 N ATOM 1924 CA LYS A 121 97.612 -1.793 -6.444 1.00 0.00 C ATOM 1925 C LYS A 121 97.375 -1.415 -4.985 1.00 0.00 C ATOM 1926 O LYS A 121 97.513 -0.250 -4.607 1.00 0.00 O ATOM 1927 CB LYS A 121 96.307 -1.665 -7.233 1.00 0.00 C ATOM 1928 CG LYS A 121 96.279 -0.470 -8.170 1.00 0.00 C ATOM 1929 CD LYS A 121 95.555 0.711 -7.544 1.00 0.00 C ATOM 1930 CE LYS A 121 96.055 2.032 -8.107 1.00 0.00 C ATOM 1931 NZ LYS A 121 95.448 3.199 -7.408 1.00 0.00 N ATOM 0 H LYS A 121 97.543 -3.793 -7.077 1.00 0.00 H new ATOM 0 HA LYS A 121 98.352 -1.109 -6.860 1.00 0.00 H new ATOM 0 HB2 LYS A 121 96.152 -2.575 -7.813 1.00 0.00 H new ATOM 0 HB3 LYS A 121 95.475 -1.587 -6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 121 97.299 -0.180 -8.423 1.00 0.00 H new ATOM 0 HG3 LYS A 121 95.786 -0.748 -9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 121 94.484 0.620 -7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 121 95.699 0.697 -6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 121 97.140 2.078 -8.015 1.00 0.00 H new ATOM 0 HE3 LYS A 121 95.822 2.085 -9.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 95.815 4.080 -7.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 94.414 3.169 -7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 95.691 3.163 -6.397 1.00 0.00 H new ATOM 1945 N PHE A 122 97.016 -2.401 -4.171 1.00 0.00 N ATOM 1946 CA PHE A 122 96.751 -2.167 -2.756 1.00 0.00 C ATOM 1947 C PHE A 122 97.973 -1.577 -2.061 1.00 0.00 C ATOM 1948 O PHE A 122 97.845 -0.768 -1.142 1.00 0.00 O ATOM 1949 CB PHE A 122 96.341 -3.471 -2.070 1.00 0.00 C ATOM 1950 CG PHE A 122 95.210 -4.181 -2.757 1.00 0.00 C ATOM 1951 CD1 PHE A 122 95.454 -5.041 -3.815 1.00 0.00 C ATOM 1952 CD2 PHE A 122 93.900 -3.987 -2.344 1.00 0.00 C ATOM 1953 CE1 PHE A 122 94.415 -5.695 -4.448 1.00 0.00 C ATOM 1954 CE2 PHE A 122 92.857 -4.639 -2.974 1.00 0.00 C ATOM 1955 CZ PHE A 122 93.115 -5.495 -4.027 1.00 0.00 C ATOM 0 H PHE A 122 96.902 -3.371 -4.467 1.00 0.00 H new ATOM 0 HA PHE A 122 95.933 -1.451 -2.681 1.00 0.00 H new ATOM 0 HB2 PHE A 122 97.204 -4.136 -2.027 1.00 0.00 H new ATOM 0 HB3 PHE A 122 96.052 -3.256 -1.041 1.00 0.00 H new ATOM 0 HD1 PHE A 122 96.468 -5.202 -4.149 1.00 0.00 H new ATOM 0 HD2 PHE A 122 93.693 -3.319 -1.521 1.00 0.00 H new ATOM 0 HE1 PHE A 122 94.619 -6.363 -5.272 1.00 0.00 H new ATOM 0 HE2 PHE A 122 91.841 -4.479 -2.643 1.00 0.00 H new ATOM 0 HZ PHE A 122 92.302 -6.007 -4.520 1.00 0.00 H new ATOM 1965 N VAL A 123 99.157 -1.982 -2.504 1.00 0.00 N ATOM 1966 CA VAL A 123 100.397 -1.487 -1.923 1.00 0.00 C ATOM 1967 C VAL A 123 100.557 0.012 -2.160 1.00 0.00 C ATOM 1968 O VAL A 123 101.036 0.741 -1.291 1.00 0.00 O ATOM 1969 CB VAL A 123 101.635 -2.235 -2.464 1.00 0.00 C ATOM 1970 CG1 VAL A 123 101.923 -1.866 -3.910 1.00 0.00 C ATOM 1971 CG2 VAL A 123 102.844 -1.942 -1.594 1.00 0.00 C ATOM 0 H VAL A 123 99.284 -2.651 -3.263 1.00 0.00 H new ATOM 0 HA VAL A 123 100.332 -1.674 -0.851 1.00 0.00 H new ATOM 0 HB VAL A 123 101.421 -3.303 -2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 123 102.801 -2.411 -4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 123 101.065 -2.127 -4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 123 102.110 -0.795 -3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 123 103.711 -2.475 -1.985 1.00 0.00 H new ATOM 0 HG22 VAL A 123 103.044 -0.871 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 123 102.646 -2.270 -0.574 1.00 0.00 H new ATOM 1981 N ASN A 124 100.156 0.470 -3.341 1.00 0.00 N ATOM 1982 CA ASN A 124 100.262 1.882 -3.686 1.00 0.00 C ATOM 1983 C ASN A 124 99.532 2.749 -2.669 1.00 0.00 C ATOM 1984 O ASN A 124 100.011 3.819 -2.293 1.00 0.00 O ATOM 1985 CB ASN A 124 99.693 2.132 -5.083 1.00 0.00 C ATOM 1986 CG ASN A 124 100.081 3.491 -5.631 1.00 0.00 C ATOM 1987 OD1 ASN A 124 101.147 3.653 -6.224 1.00 0.00 O ATOM 1988 ND2 ASN A 124 99.215 4.479 -5.432 1.00 0.00 N ATOM 0 H ASN A 124 99.755 -0.115 -4.074 1.00 0.00 H new ATOM 0 HA ASN A 124 101.318 2.152 -3.676 1.00 0.00 H new ATOM 0 HB2 ASN A 124 100.047 1.355 -5.761 1.00 0.00 H new ATOM 0 HB3 ASN A 124 98.606 2.054 -5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 124 99.423 5.416 -5.776 1.00 0.00 H new ATOM 0 HD22 ASN A 124 98.342 4.300 -4.935 1.00 0.00 H new ATOM 1995 N GLY A 125 98.372 2.281 -2.223 1.00 0.00 N ATOM 1996 CA GLY A 125 97.598 3.037 -1.259 1.00 0.00 C ATOM 1997 C GLY A 125 98.354 3.265 0.031 1.00 0.00 C ATOM 1998 O GLY A 125 98.263 4.339 0.626 1.00 0.00 O ATOM 0 H GLY A 125 97.956 1.395 -2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 125 97.323 3.999 -1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 125 96.670 2.507 -1.045 1.00 0.00 H new ATOM 2002 N VAL A 126 99.121 2.268 0.457 1.00 0.00 N ATOM 2003 CA VAL A 126 99.902 2.396 1.678 1.00 0.00 C ATOM 2004 C VAL A 126 100.868 3.563 1.561 1.00 0.00 C ATOM 2005 O VAL A 126 101.084 4.305 2.517 1.00 0.00 O ATOM 2006 CB VAL A 126 100.711 1.123 1.990 1.00 0.00 C ATOM 2007 CG1 VAL A 126 100.021 -0.114 1.436 1.00 0.00 C ATOM 2008 CG2 VAL A 126 102.129 1.253 1.449 1.00 0.00 C ATOM 0 H VAL A 126 99.217 1.372 -0.020 1.00 0.00 H new ATOM 0 HA VAL A 126 99.193 2.562 2.489 1.00 0.00 H new ATOM 0 HB VAL A 126 100.767 1.007 3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 126 100.614 -0.998 1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 126 99.032 -0.211 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 126 99.921 -0.021 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 126 102.690 0.346 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 126 102.095 1.397 0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 126 102.619 2.109 1.914 1.00 0.00 H new ATOM 2018 N LEU A 127 101.447 3.719 0.376 1.00 0.00 N ATOM 2019 CA LEU A 127 102.386 4.798 0.131 1.00 0.00 C ATOM 2020 C LEU A 127 101.670 6.140 0.123 1.00 0.00 C ATOM 2021 O LEU A 127 102.239 7.160 0.508 1.00 0.00 O ATOM 2022 CB LEU A 127 103.122 4.581 -1.191 1.00 0.00 C ATOM 2023 CG LEU A 127 104.642 4.452 -1.065 1.00 0.00 C ATOM 2024 CD1 LEU A 127 105.298 4.473 -2.435 1.00 0.00 C ATOM 2025 CD2 LEU A 127 105.199 5.565 -0.190 1.00 0.00 C ATOM 0 H LEU A 127 101.281 3.111 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 127 103.118 4.802 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 127 102.733 3.679 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 127 102.896 5.413 -1.858 1.00 0.00 H new ATOM 0 HG LEU A 127 104.867 3.495 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 127 106.378 4.380 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 127 104.922 3.641 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 127 105.065 5.413 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 127 106.281 5.459 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 127 104.961 6.531 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 127 104.755 5.504 0.803 1.00 0.00 H new ATOM 2037 N ASP A 128 100.416 6.134 -0.319 1.00 0.00 N ATOM 2038 CA ASP A 128 99.629 7.357 -0.377 1.00 0.00 C ATOM 2039 C ASP A 128 99.452 7.952 1.014 1.00 0.00 C ATOM 2040 O ASP A 128 99.625 9.151 1.210 1.00 0.00 O ATOM 2041 CB ASP A 128 98.262 7.079 -1.004 1.00 0.00 C ATOM 2042 CG ASP A 128 97.473 8.348 -1.257 1.00 0.00 C ATOM 2043 OD1 ASP A 128 97.365 9.175 -0.328 1.00 0.00 O ATOM 2044 OD2 ASP A 128 96.963 8.515 -2.385 1.00 0.00 O ATOM 0 H ASP A 128 99.926 5.299 -0.640 1.00 0.00 H new ATOM 0 HA ASP A 128 100.164 8.077 -0.996 1.00 0.00 H new ATOM 0 HB2 ASP A 128 98.399 6.546 -1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 128 97.690 6.424 -0.347 1.00 0.00 H new ATOM 2049 N LYS A 129 99.107 7.106 1.977 1.00 0.00 N ATOM 2050 CA LYS A 129 98.914 7.556 3.350 1.00 0.00 C ATOM 2051 C LYS A 129 100.247 7.735 4.074 1.00 0.00 C ATOM 2052 O LYS A 129 100.441 8.707 4.804 1.00 0.00 O ATOM 2053 CB LYS A 129 98.037 6.564 4.115 1.00 0.00 C ATOM 2054 CG LYS A 129 98.582 5.147 4.122 1.00 0.00 C ATOM 2055 CD LYS A 129 97.482 4.129 3.882 1.00 0.00 C ATOM 2056 CE LYS A 129 96.291 4.370 4.797 1.00 0.00 C ATOM 2057 NZ LYS A 129 96.666 4.272 6.235 1.00 0.00 N ATOM 0 H LYS A 129 98.956 6.108 1.833 1.00 0.00 H new ATOM 0 HA LYS A 129 98.416 8.525 3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 129 97.928 6.907 5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 129 97.040 6.558 3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 129 99.347 5.046 3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 129 99.064 4.946 5.079 1.00 0.00 H new ATOM 0 HD2 LYS A 129 97.159 4.179 2.842 1.00 0.00 H new ATOM 0 HD3 LYS A 129 97.872 3.125 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 129 95.874 5.357 4.597 1.00 0.00 H new ATOM 0 HE3 LYS A 129 95.510 3.643 4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 95.834 4.476 6.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 97.009 3.312 6.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 97.417 4.960 6.446 1.00 0.00 H new ATOM 2071 N ALA A 130 101.155 6.779 3.885 1.00 0.00 N ATOM 2072 CA ALA A 130 102.460 6.818 4.540 1.00 0.00 C ATOM 2073 C ALA A 130 103.384 7.890 3.961 1.00 0.00 C ATOM 2074 O ALA A 130 104.074 8.586 4.704 1.00 0.00 O ATOM 2075 CB ALA A 130 103.125 5.454 4.450 1.00 0.00 C ATOM 0 H ALA A 130 101.010 5.968 3.283 1.00 0.00 H new ATOM 0 HA ALA A 130 102.285 7.080 5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 130 104.098 5.490 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 130 102.498 4.710 4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 130 103.257 5.182 3.403 1.00 0.00 H new ATOM 2081 N ALA A 131 103.417 8.007 2.641 1.00 0.00 N ATOM 2082 CA ALA A 131 104.289 8.977 1.981 1.00 0.00 C ATOM 2083 C ALA A 131 104.153 10.375 2.579 1.00 0.00 C ATOM 2084 O ALA A 131 105.118 10.940 3.092 1.00 0.00 O ATOM 2085 CB ALA A 131 104.009 9.013 0.488 1.00 0.00 C ATOM 0 H ALA A 131 102.852 7.445 2.004 1.00 0.00 H new ATOM 0 HA ALA A 131 105.316 8.651 2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 131 104.667 9.740 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 131 104.189 8.027 0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 131 102.971 9.298 0.319 1.00 0.00 H new ATOM 2091 N PRO A 132 102.949 10.956 2.503 1.00 0.00 N ATOM 2092 CA PRO A 132 102.669 12.301 3.016 1.00 0.00 C ATOM 2093 C PRO A 132 103.095 12.495 4.470 1.00 0.00 C ATOM 2094 O PRO A 132 103.175 13.626 4.949 1.00 0.00 O ATOM 2095 CB PRO A 132 101.145 12.434 2.881 1.00 0.00 C ATOM 2096 CG PRO A 132 100.648 11.051 2.612 1.00 0.00 C ATOM 2097 CD PRO A 132 101.762 10.353 1.895 1.00 0.00 C ATOM 0 HA PRO A 132 103.230 13.056 2.464 1.00 0.00 H new ATOM 0 HB2 PRO A 132 100.704 12.840 3.791 1.00 0.00 H new ATOM 0 HB3 PRO A 132 100.880 13.111 2.069 1.00 0.00 H new ATOM 0 HG2 PRO A 132 100.397 10.538 3.540 1.00 0.00 H new ATOM 0 HG3 PRO A 132 99.743 11.071 2.004 1.00 0.00 H new ATOM 0 HD2 PRO A 132 101.731 9.274 2.047 1.00 0.00 H new ATOM 0 HD3 PRO A 132 101.724 10.525 0.819 1.00 0.00 H new ATOM 2105 N VAL A 133 103.366 11.399 5.171 1.00 0.00 N ATOM 2106 CA VAL A 133 103.778 11.481 6.564 1.00 0.00 C ATOM 2107 C VAL A 133 105.187 12.055 6.687 1.00 0.00 C ATOM 2108 O VAL A 133 105.413 13.013 7.426 1.00 0.00 O ATOM 2109 CB VAL A 133 103.733 10.105 7.248 1.00 0.00 C ATOM 2110 CG1 VAL A 133 104.449 10.154 8.585 1.00 0.00 C ATOM 2111 CG2 VAL A 133 102.296 9.638 7.420 1.00 0.00 C ATOM 0 H VAL A 133 103.308 10.451 4.799 1.00 0.00 H new ATOM 0 HA VAL A 133 103.073 12.146 7.063 1.00 0.00 H new ATOM 0 HB VAL A 133 104.248 9.386 6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 133 104.408 9.172 9.056 1.00 0.00 H new ATOM 0 HG12 VAL A 133 105.490 10.439 8.430 1.00 0.00 H new ATOM 0 HG13 VAL A 133 103.965 10.887 9.231 1.00 0.00 H new ATOM 0 HG21 VAL A 133 102.286 8.662 7.906 1.00 0.00 H new ATOM 0 HG22 VAL A 133 101.752 10.355 8.035 1.00 0.00 H new ATOM 0 HG23 VAL A 133 101.819 9.562 6.443 1.00 0.00 H new ATOM 2121 N ILE A 134 106.129 11.468 5.954 1.00 0.00 N ATOM 2122 CA ILE A 134 107.513 11.929 5.982 1.00 0.00 C ATOM 2123 C ILE A 134 107.617 13.360 5.467 1.00 0.00 C ATOM 2124 O ILE A 134 108.442 14.143 5.939 1.00 0.00 O ATOM 2125 CB ILE A 134 108.431 11.023 5.137 1.00 0.00 C ATOM 2126 CG1 ILE A 134 109.004 9.894 5.996 1.00 0.00 C ATOM 2127 CG2 ILE A 134 109.554 11.839 4.515 1.00 0.00 C ATOM 2128 CD1 ILE A 134 108.094 8.693 6.096 1.00 0.00 C ATOM 0 H ILE A 134 105.960 10.675 5.335 1.00 0.00 H new ATOM 0 HA ILE A 134 107.840 11.889 7.021 1.00 0.00 H new ATOM 0 HB ILE A 134 107.839 10.581 4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 134 109.961 9.581 5.579 1.00 0.00 H new ATOM 0 HG13 ILE A 134 109.202 10.275 6.998 1.00 0.00 H new ATOM 0 HG21 ILE A 134 110.193 11.185 3.922 1.00 0.00 H new ATOM 0 HG22 ILE A 134 109.130 12.612 3.874 1.00 0.00 H new ATOM 0 HG23 ILE A 134 110.144 12.306 5.303 1.00 0.00 H new ATOM 0 HD11 ILE A 134 108.563 7.932 6.719 1.00 0.00 H new ATOM 0 HD12 ILE A 134 107.145 8.992 6.541 1.00 0.00 H new ATOM 0 HD13 ILE A 134 107.916 8.287 5.100 1.00 0.00 H new ATOM 2140 N ARG A 135 106.773 13.695 4.497 1.00 0.00 N ATOM 2141 CA ARG A 135 106.765 15.033 3.916 1.00 0.00 C ATOM 2142 C ARG A 135 105.337 15.509 3.670 1.00 0.00 C ATOM 2143 O ARG A 135 104.755 15.243 2.619 1.00 0.00 O ATOM 2144 CB ARG A 135 107.552 15.047 2.604 1.00 0.00 C ATOM 2145 CG ARG A 135 107.496 16.380 1.876 1.00 0.00 C ATOM 2146 CD ARG A 135 106.990 16.217 0.452 1.00 0.00 C ATOM 2147 NE ARG A 135 107.979 16.649 -0.532 1.00 0.00 N ATOM 2148 CZ ARG A 135 107.666 17.107 -1.740 1.00 0.00 C ATOM 2149 NH1 ARG A 135 106.396 17.186 -2.114 1.00 0.00 N ATOM 2150 NH2 ARG A 135 108.622 17.487 -2.575 1.00 0.00 N ATOM 0 H ARG A 135 106.085 13.058 4.096 1.00 0.00 H new ATOM 0 HA ARG A 135 107.240 15.713 4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 135 108.593 14.799 2.812 1.00 0.00 H new ATOM 0 HB3 ARG A 135 107.163 14.268 1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 135 106.844 17.065 2.419 1.00 0.00 H new ATOM 0 HG3 ARG A 135 108.489 16.829 1.861 1.00 0.00 H new ATOM 0 HD2 ARG A 135 106.735 15.172 0.275 1.00 0.00 H new ATOM 0 HD3 ARG A 135 106.075 16.795 0.324 1.00 0.00 H new ATOM 0 HE ARG A 135 108.965 16.596 -0.278 1.00 0.00 H new ATOM 0 HH11 ARG A 135 105.657 16.895 -1.474 1.00 0.00 H new ATOM 0 HH12 ARG A 135 106.158 17.538 -3.041 1.00 0.00 H new ATOM 0 HH21 ARG A 135 109.600 17.428 -2.291 1.00 0.00 H new ATOM 0 HH22 ARG A 135 108.380 17.838 -3.502 1.00 0.00 H new