USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 893 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 60 TYR OH : rot 130:sc= 0.0661 USER MOD Set 1.2: A 114 LYS NZ :NH3+ 161:sc= 0.0253 (180deg=-0.378) USER MOD Set 2.1: A 24 LYS NZ :NH3+ 136:sc= -1.07 (180deg=-0.0481) USER MOD Set 2.2: A 57 TYR OH : rot 150:sc= -1.21 USER MOD Single : A 9 GLN : amide:sc= -2.39! C(o=-2.4!,f=-2.2!) USER MOD Single : A 11 LYS NZ :NH3+ -145:sc= -1.12 (180deg=-3.38!) USER MOD Single : A 12 GLN : amide:sc= -2.15 K(o=-2.2,f=-6.5!) USER MOD Single : A 15 GLN : amide:sc= -1.64 K(o=-1.6,f=-13!) USER MOD Single : A 17 TYR OH : rot 150:sc= -0.355 USER MOD Single : A 20 ASN : amide:sc= -3.29! C(o=-3.3!,f=-3.7!) USER MOD Single : A 26 LYS NZ :NH3+ -146:sc= 0.0362 (180deg=0) USER MOD Single : A 34 SER OG : rot 105:sc= 1.07 USER MOD Single : A 36 MET CE :methyl -166:sc= -3.06 (180deg=-3.35) USER MOD Single : A 37 GLN : amide:sc= -3.28! C(o=-3.3!,f=-4.3!) USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0637) USER MOD Single : A 41 THR OG1 : rot 180:sc=0.000844 USER MOD Single : A 44 ASN : amide:sc= -1.69! C(o=-1.7!,f=-4.8!) USER MOD Single : A 52 SER OG : rot -32:sc= 0.242 USER MOD Single : A 61 ASN : amide:sc= -4.57! C(o=-4.6!,f=-9.6!) USER MOD Single : A 74 ASN : amide:sc= -1.91! C(o=-1.9!,f=-5.1!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 161:sc= -0.0219 (180deg=-0.372) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -1.25 K(o=-1.3,f=-1.8) USER MOD Single : A 102 TYR OH : rot 118:sc= -0.0406 USER MOD Single : A 103 MET CE :methyl -171:sc= -0.104 (180deg=-0.112) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= -0.929 USER MOD Single : A 109 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 111 CYS SG : rot -14:sc= -1.09 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.3!) USER MOD Single : A 117 SER OG : rot -140:sc= -1.57! USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0056 USER MOD Single : A 123 GLN : amide:sc= -1.03 K(o=-1,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 8 111.426 -12.597 14.727 1.00 0.00 N ATOM 79 CA GLU A 8 111.031 -13.376 13.524 1.00 0.00 C ATOM 80 C GLU A 8 111.792 -12.812 12.325 1.00 0.00 C ATOM 81 O GLU A 8 112.247 -13.537 11.465 1.00 0.00 O ATOM 82 CB GLU A 8 109.522 -13.245 13.298 1.00 0.00 C ATOM 83 CG GLU A 8 109.116 -14.054 12.065 1.00 0.00 C ATOM 84 CD GLU A 8 107.598 -13.987 11.888 1.00 0.00 C ATOM 85 OE1 GLU A 8 106.954 -13.354 12.708 1.00 0.00 O ATOM 86 OE2 GLU A 8 107.105 -14.572 10.938 1.00 0.00 O ATOM 0 HA GLU A 8 111.270 -14.431 13.657 1.00 0.00 H new ATOM 0 HB2 GLU A 8 108.980 -13.602 14.174 1.00 0.00 H new ATOM 0 HB3 GLU A 8 109.254 -12.197 13.162 1.00 0.00 H new ATOM 0 HG2 GLU A 8 109.614 -13.661 11.179 1.00 0.00 H new ATOM 0 HG3 GLU A 8 109.434 -15.091 12.176 1.00 0.00 H new ATOM 93 N GLN A 9 111.945 -11.520 12.271 1.00 0.00 N ATOM 94 CA GLN A 9 112.693 -10.908 11.142 1.00 0.00 C ATOM 95 C GLN A 9 114.156 -11.354 11.235 1.00 0.00 C ATOM 96 O GLN A 9 114.903 -11.298 10.277 1.00 0.00 O ATOM 97 CB GLN A 9 112.608 -9.383 11.244 1.00 0.00 C ATOM 98 CG GLN A 9 111.161 -8.938 11.025 1.00 0.00 C ATOM 99 CD GLN A 9 111.051 -7.432 11.267 1.00 0.00 C ATOM 100 OE1 GLN A 9 111.919 -6.838 11.875 1.00 0.00 O ATOM 101 NE2 GLN A 9 110.009 -6.787 10.823 1.00 0.00 N ATOM 0 H GLN A 9 111.584 -10.861 12.961 1.00 0.00 H new ATOM 0 HA GLN A 9 112.268 -11.223 10.189 1.00 0.00 H new ATOM 0 HB2 GLN A 9 112.957 -9.053 12.222 1.00 0.00 H new ATOM 0 HB3 GLN A 9 113.258 -8.921 10.501 1.00 0.00 H new ATOM 0 HG2 GLN A 9 110.845 -9.179 10.010 1.00 0.00 H new ATOM 0 HG3 GLN A 9 110.497 -9.476 11.702 1.00 0.00 H new ATOM 0 HE21 GLN A 9 109.280 -7.285 10.312 1.00 0.00 H new ATOM 0 HE22 GLN A 9 109.923 -5.784 10.986 1.00 0.00 H new ATOM 110 N PHE A 10 114.567 -11.794 12.395 1.00 0.00 N ATOM 111 CA PHE A 10 115.978 -12.247 12.580 1.00 0.00 C ATOM 112 C PHE A 10 116.228 -13.490 11.706 1.00 0.00 C ATOM 113 O PHE A 10 117.114 -13.517 10.867 1.00 0.00 O ATOM 114 CB PHE A 10 116.169 -12.613 14.067 1.00 0.00 C ATOM 115 CG PHE A 10 117.594 -12.362 14.523 1.00 0.00 C ATOM 116 CD1 PHE A 10 118.674 -12.907 13.817 1.00 0.00 C ATOM 117 CD2 PHE A 10 117.830 -11.572 15.661 1.00 0.00 C ATOM 118 CE1 PHE A 10 119.985 -12.664 14.246 1.00 0.00 C ATOM 119 CE2 PHE A 10 119.140 -11.331 16.088 1.00 0.00 C ATOM 120 CZ PHE A 10 120.216 -11.877 15.381 1.00 0.00 C ATOM 0 H PHE A 10 113.982 -11.860 13.228 1.00 0.00 H new ATOM 0 HA PHE A 10 116.676 -11.461 12.291 1.00 0.00 H new ATOM 0 HB2 PHE A 10 115.482 -12.028 14.678 1.00 0.00 H new ATOM 0 HB3 PHE A 10 115.916 -13.662 14.220 1.00 0.00 H new ATOM 0 HD1 PHE A 10 118.496 -13.514 12.942 1.00 0.00 H new ATOM 0 HD2 PHE A 10 116.999 -11.150 16.207 1.00 0.00 H new ATOM 0 HE1 PHE A 10 120.818 -13.084 13.701 1.00 0.00 H new ATOM 0 HE2 PHE A 10 119.320 -10.724 16.963 1.00 0.00 H new ATOM 0 HZ PHE A 10 121.227 -11.691 15.711 1.00 0.00 H new ATOM 130 N LYS A 11 115.448 -14.521 11.893 1.00 0.00 N ATOM 131 CA LYS A 11 115.646 -15.750 11.071 1.00 0.00 C ATOM 132 C LYS A 11 115.467 -15.400 9.596 1.00 0.00 C ATOM 133 O LYS A 11 116.060 -16.012 8.729 1.00 0.00 O ATOM 134 CB LYS A 11 114.643 -16.833 11.490 1.00 0.00 C ATOM 135 CG LYS A 11 113.222 -16.258 11.478 1.00 0.00 C ATOM 136 CD LYS A 11 112.185 -17.378 11.698 1.00 0.00 C ATOM 137 CE LYS A 11 112.017 -17.679 13.196 1.00 0.00 C ATOM 138 NZ LYS A 11 113.219 -18.400 13.704 1.00 0.00 N ATOM 0 H LYS A 11 114.689 -14.566 12.573 1.00 0.00 H new ATOM 0 HA LYS A 11 116.653 -16.137 11.229 1.00 0.00 H new ATOM 0 HB2 LYS A 11 114.707 -17.683 10.811 1.00 0.00 H new ATOM 0 HB3 LYS A 11 114.887 -17.202 12.486 1.00 0.00 H new ATOM 0 HG2 LYS A 11 113.122 -15.503 12.258 1.00 0.00 H new ATOM 0 HG3 LYS A 11 113.033 -15.760 10.527 1.00 0.00 H new ATOM 0 HD2 LYS A 11 111.226 -17.081 11.272 1.00 0.00 H new ATOM 0 HD3 LYS A 11 112.501 -18.280 11.174 1.00 0.00 H new ATOM 0 HE2 LYS A 11 111.878 -16.750 13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 11 111.124 -18.283 13.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 112.931 -19.087 14.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 113.682 -18.900 12.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 113.884 -17.717 14.119 1.00 0.00 H new ATOM 152 N GLN A 12 114.674 -14.408 9.299 1.00 0.00 N ATOM 153 CA GLN A 12 114.493 -14.020 7.876 1.00 0.00 C ATOM 154 C GLN A 12 115.845 -13.548 7.328 1.00 0.00 C ATOM 155 O GLN A 12 116.124 -13.649 6.156 1.00 0.00 O ATOM 156 CB GLN A 12 113.451 -12.905 7.758 1.00 0.00 C ATOM 157 CG GLN A 12 112.068 -13.478 8.081 1.00 0.00 C ATOM 158 CD GLN A 12 111.024 -12.360 8.079 1.00 0.00 C ATOM 159 OE1 GLN A 12 111.362 -11.195 8.054 1.00 0.00 O ATOM 160 NE2 GLN A 12 109.757 -12.670 8.109 1.00 0.00 N ATOM 0 H GLN A 12 114.148 -13.854 9.975 1.00 0.00 H new ATOM 0 HA GLN A 12 114.137 -14.874 7.300 1.00 0.00 H new ATOM 0 HB2 GLN A 12 113.691 -12.092 8.443 1.00 0.00 H new ATOM 0 HB3 GLN A 12 113.459 -12.487 6.751 1.00 0.00 H new ATOM 0 HG2 GLN A 12 111.800 -14.238 7.347 1.00 0.00 H new ATOM 0 HG3 GLN A 12 112.087 -13.967 9.055 1.00 0.00 H new ATOM 0 HE21 GLN A 12 109.472 -13.649 8.130 1.00 0.00 H new ATOM 0 HE22 GLN A 12 109.052 -11.933 8.111 1.00 0.00 H new ATOM 169 N VAL A 13 116.695 -13.032 8.172 1.00 0.00 N ATOM 170 CA VAL A 13 118.026 -12.571 7.681 1.00 0.00 C ATOM 171 C VAL A 13 118.853 -13.783 7.260 1.00 0.00 C ATOM 172 O VAL A 13 119.556 -13.749 6.271 1.00 0.00 O ATOM 173 CB VAL A 13 118.767 -11.825 8.792 1.00 0.00 C ATOM 174 CG1 VAL A 13 120.188 -11.480 8.327 1.00 0.00 C ATOM 175 CG2 VAL A 13 118.013 -10.543 9.141 1.00 0.00 C ATOM 0 H VAL A 13 116.529 -12.910 9.171 1.00 0.00 H new ATOM 0 HA VAL A 13 117.880 -11.902 6.833 1.00 0.00 H new ATOM 0 HB VAL A 13 118.824 -12.461 9.676 1.00 0.00 H new ATOM 0 HG11 VAL A 13 120.712 -10.949 9.122 1.00 0.00 H new ATOM 0 HG12 VAL A 13 120.726 -12.398 8.088 1.00 0.00 H new ATOM 0 HG13 VAL A 13 120.137 -10.848 7.440 1.00 0.00 H new ATOM 0 HG21 VAL A 13 118.543 -10.013 9.933 1.00 0.00 H new ATOM 0 HG22 VAL A 13 117.949 -9.907 8.258 1.00 0.00 H new ATOM 0 HG23 VAL A 13 117.008 -10.793 9.481 1.00 0.00 H new ATOM 185 N ARG A 14 118.792 -14.857 7.998 1.00 0.00 N ATOM 186 CA ARG A 14 119.604 -16.043 7.598 1.00 0.00 C ATOM 187 C ARG A 14 119.223 -16.475 6.181 1.00 0.00 C ATOM 188 O ARG A 14 120.077 -16.737 5.359 1.00 0.00 O ATOM 189 CB ARG A 14 119.370 -17.201 8.571 1.00 0.00 C ATOM 190 CG ARG A 14 120.000 -16.866 9.925 1.00 0.00 C ATOM 191 CD ARG A 14 119.873 -18.070 10.859 1.00 0.00 C ATOM 192 NE ARG A 14 120.277 -17.675 12.239 1.00 0.00 N ATOM 193 CZ ARG A 14 120.641 -18.587 13.099 1.00 0.00 C ATOM 194 NH1 ARG A 14 120.092 -19.770 13.069 1.00 0.00 N ATOM 195 NH2 ARG A 14 121.554 -18.314 13.991 1.00 0.00 N ATOM 0 H ARG A 14 118.229 -14.966 8.842 1.00 0.00 H new ATOM 0 HA ARG A 14 120.659 -15.771 7.623 1.00 0.00 H new ATOM 0 HB2 ARG A 14 118.301 -17.380 8.690 1.00 0.00 H new ATOM 0 HB3 ARG A 14 119.804 -18.118 8.173 1.00 0.00 H new ATOM 0 HG2 ARG A 14 121.050 -16.603 9.794 1.00 0.00 H new ATOM 0 HG3 ARG A 14 119.506 -15.999 10.363 1.00 0.00 H new ATOM 0 HD2 ARG A 14 118.846 -18.436 10.860 1.00 0.00 H new ATOM 0 HD3 ARG A 14 120.502 -18.887 10.504 1.00 0.00 H new ATOM 0 HE ARG A 14 120.269 -16.692 12.511 1.00 0.00 H new ATOM 0 HH11 ARG A 14 119.377 -19.983 12.373 1.00 0.00 H new ATOM 0 HH12 ARG A 14 120.377 -20.482 13.742 1.00 0.00 H new ATOM 0 HH21 ARG A 14 121.982 -17.389 14.016 1.00 0.00 H new ATOM 0 HH22 ARG A 14 121.839 -19.026 14.663 1.00 0.00 H new ATOM 209 N GLN A 15 117.955 -16.546 5.877 1.00 0.00 N ATOM 210 CA GLN A 15 117.563 -16.959 4.500 1.00 0.00 C ATOM 211 C GLN A 15 118.091 -15.939 3.470 1.00 0.00 C ATOM 212 O GLN A 15 118.346 -16.292 2.336 1.00 0.00 O ATOM 213 CB GLN A 15 116.040 -17.142 4.393 1.00 0.00 C ATOM 214 CG GLN A 15 115.328 -15.947 4.981 1.00 0.00 C ATOM 215 CD GLN A 15 113.816 -16.180 4.954 1.00 0.00 C ATOM 216 OE1 GLN A 15 113.074 -15.368 4.439 1.00 0.00 O ATOM 217 NE2 GLN A 15 113.325 -17.262 5.494 1.00 0.00 N ATOM 0 H GLN A 15 117.184 -16.339 6.512 1.00 0.00 H new ATOM 0 HA GLN A 15 118.017 -17.925 4.280 1.00 0.00 H new ATOM 0 HB2 GLN A 15 115.754 -17.267 3.349 1.00 0.00 H new ATOM 0 HB3 GLN A 15 115.738 -18.049 4.917 1.00 0.00 H new ATOM 0 HG2 GLN A 15 115.661 -15.781 6.005 1.00 0.00 H new ATOM 0 HG3 GLN A 15 115.577 -15.049 4.415 1.00 0.00 H new ATOM 0 HE21 GLN A 15 113.948 -17.944 5.927 1.00 0.00 H new ATOM 0 HE22 GLN A 15 112.318 -17.426 5.483 1.00 0.00 H new ATOM 226 N LEU A 16 118.298 -14.687 3.840 1.00 0.00 N ATOM 227 CA LEU A 16 118.853 -13.720 2.833 1.00 0.00 C ATOM 228 C LEU A 16 120.270 -14.181 2.454 1.00 0.00 C ATOM 229 O LEU A 16 120.608 -14.296 1.292 1.00 0.00 O ATOM 230 CB LEU A 16 118.916 -12.282 3.421 1.00 0.00 C ATOM 231 CG LEU A 16 117.653 -11.452 3.092 1.00 0.00 C ATOM 232 CD1 LEU A 16 117.512 -11.255 1.572 1.00 0.00 C ATOM 233 CD2 LEU A 16 116.393 -12.116 3.658 1.00 0.00 C ATOM 0 H LEU A 16 118.112 -14.305 4.767 1.00 0.00 H new ATOM 0 HA LEU A 16 118.205 -13.700 1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 16 119.037 -12.340 4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 16 119.795 -11.771 3.029 1.00 0.00 H new ATOM 0 HG LEU A 16 117.766 -10.475 3.562 1.00 0.00 H new ATOM 0 HD11 LEU A 16 116.617 -10.669 1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 16 118.388 -10.730 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 16 117.431 -12.227 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 16 115.521 -11.511 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 16 116.279 -13.110 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 16 116.482 -12.201 4.741 1.00 0.00 H new ATOM 245 N TYR A 17 121.096 -14.455 3.431 1.00 0.00 N ATOM 246 CA TYR A 17 122.486 -14.920 3.139 1.00 0.00 C ATOM 247 C TYR A 17 122.444 -16.237 2.354 1.00 0.00 C ATOM 248 O TYR A 17 123.234 -16.463 1.461 1.00 0.00 O ATOM 249 CB TYR A 17 123.232 -15.153 4.462 1.00 0.00 C ATOM 250 CG TYR A 17 123.729 -13.842 5.028 1.00 0.00 C ATOM 251 CD1 TYR A 17 122.914 -13.093 5.886 1.00 0.00 C ATOM 252 CD2 TYR A 17 125.016 -13.391 4.714 1.00 0.00 C ATOM 253 CE1 TYR A 17 123.389 -11.894 6.428 1.00 0.00 C ATOM 254 CE2 TYR A 17 125.489 -12.190 5.252 1.00 0.00 C ATOM 255 CZ TYR A 17 124.676 -11.442 6.111 1.00 0.00 C ATOM 256 OH TYR A 17 125.143 -10.260 6.646 1.00 0.00 O ATOM 0 H TYR A 17 120.867 -14.377 4.422 1.00 0.00 H new ATOM 0 HA TYR A 17 122.998 -14.161 2.548 1.00 0.00 H new ATOM 0 HB2 TYR A 17 122.570 -15.638 5.179 1.00 0.00 H new ATOM 0 HB3 TYR A 17 124.073 -15.827 4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 17 121.921 -13.440 6.129 1.00 0.00 H new ATOM 0 HD2 TYR A 17 125.645 -13.971 4.055 1.00 0.00 H new ATOM 0 HE1 TYR A 17 122.763 -11.316 7.092 1.00 0.00 H new ATOM 0 HE2 TYR A 17 126.480 -11.840 5.005 1.00 0.00 H new ATOM 0 HH TYR A 17 126.117 -10.309 6.747 1.00 0.00 H new ATOM 266 N GLU A 18 121.547 -17.120 2.704 1.00 0.00 N ATOM 267 CA GLU A 18 121.482 -18.434 1.999 1.00 0.00 C ATOM 268 C GLU A 18 121.147 -18.241 0.518 1.00 0.00 C ATOM 269 O GLU A 18 121.281 -19.155 -0.272 1.00 0.00 O ATOM 270 CB GLU A 18 120.423 -19.325 2.651 1.00 0.00 C ATOM 271 CG GLU A 18 120.890 -19.738 4.051 1.00 0.00 C ATOM 272 CD GLU A 18 122.086 -20.686 3.938 1.00 0.00 C ATOM 273 OE1 GLU A 18 122.131 -21.442 2.981 1.00 0.00 O ATOM 274 OE2 GLU A 18 122.938 -20.640 4.811 1.00 0.00 O ATOM 0 H GLU A 18 120.858 -16.989 3.445 1.00 0.00 H new ATOM 0 HA GLU A 18 122.459 -18.911 2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 18 119.474 -18.792 2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 18 120.250 -20.210 2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 18 121.167 -18.855 4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 18 120.076 -20.226 4.587 1.00 0.00 H new ATOM 281 N ILE A 19 120.718 -17.074 0.119 1.00 0.00 N ATOM 282 CA ILE A 19 120.396 -16.878 -1.323 1.00 0.00 C ATOM 283 C ILE A 19 121.601 -17.317 -2.160 1.00 0.00 C ATOM 284 O ILE A 19 121.453 -17.968 -3.173 1.00 0.00 O ATOM 285 CB ILE A 19 120.076 -15.401 -1.588 1.00 0.00 C ATOM 286 CG1 ILE A 19 118.724 -15.059 -0.953 1.00 0.00 C ATOM 287 CG2 ILE A 19 120.014 -15.139 -3.098 1.00 0.00 C ATOM 288 CD1 ILE A 19 118.508 -13.545 -0.985 1.00 0.00 C ATOM 0 H ILE A 19 120.578 -16.260 0.718 1.00 0.00 H new ATOM 0 HA ILE A 19 119.525 -17.475 -1.595 1.00 0.00 H new ATOM 0 HB ILE A 19 120.858 -14.778 -1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 19 117.921 -15.562 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 19 118.693 -15.419 0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 19 119.786 -14.088 -3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 19 120.976 -15.383 -3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 19 119.236 -15.759 -3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 19 117.546 -13.305 -0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 19 119.304 -13.052 -0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 19 118.520 -13.198 -2.018 1.00 0.00 H new ATOM 300 N ASN A 20 122.792 -16.985 -1.732 1.00 0.00 N ATOM 301 CA ASN A 20 124.008 -17.392 -2.486 1.00 0.00 C ATOM 302 C ASN A 20 125.233 -17.149 -1.606 1.00 0.00 C ATOM 303 O ASN A 20 125.220 -16.315 -0.723 1.00 0.00 O ATOM 304 CB ASN A 20 124.135 -16.556 -3.769 1.00 0.00 C ATOM 305 CG ASN A 20 123.208 -17.114 -4.850 1.00 0.00 C ATOM 306 OD1 ASN A 20 123.218 -18.298 -5.125 1.00 0.00 O ATOM 307 ND2 ASN A 20 122.396 -16.307 -5.475 1.00 0.00 N ATOM 0 H ASN A 20 122.972 -16.445 -0.885 1.00 0.00 H new ATOM 0 HA ASN A 20 123.936 -18.446 -2.754 1.00 0.00 H new ATOM 0 HB2 ASN A 20 123.882 -15.516 -3.562 1.00 0.00 H new ATOM 0 HB3 ASN A 20 125.167 -16.569 -4.121 1.00 0.00 H new ATOM 0 HD21 ASN A 20 121.770 -16.670 -6.194 1.00 0.00 H new ATOM 0 HD22 ASN A 20 122.387 -15.313 -5.245 1.00 0.00 H new ATOM 314 N ASP A 21 126.294 -17.867 -1.845 1.00 0.00 N ATOM 315 CA ASP A 21 127.528 -17.677 -1.031 1.00 0.00 C ATOM 316 C ASP A 21 128.429 -16.676 -1.749 1.00 0.00 C ATOM 317 O ASP A 21 129.631 -16.669 -1.574 1.00 0.00 O ATOM 318 CB ASP A 21 128.257 -19.016 -0.889 1.00 0.00 C ATOM 319 CG ASP A 21 129.328 -18.904 0.198 1.00 0.00 C ATOM 320 OD1 ASP A 21 129.722 -17.791 0.504 1.00 0.00 O ATOM 321 OD2 ASP A 21 129.732 -19.935 0.711 1.00 0.00 O ATOM 0 H ASP A 21 126.361 -18.580 -2.571 1.00 0.00 H new ATOM 0 HA ASP A 21 127.272 -17.305 -0.039 1.00 0.00 H new ATOM 0 HB2 ASP A 21 127.547 -19.803 -0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 21 128.715 -19.295 -1.838 1.00 0.00 H new ATOM 326 N ASP A 22 127.855 -15.831 -2.563 1.00 0.00 N ATOM 327 CA ASP A 22 128.688 -14.836 -3.295 1.00 0.00 C ATOM 328 C ASP A 22 129.457 -13.974 -2.267 1.00 0.00 C ATOM 329 O ASP A 22 128.854 -13.457 -1.348 1.00 0.00 O ATOM 330 CB ASP A 22 127.778 -13.935 -4.133 1.00 0.00 C ATOM 331 CG ASP A 22 127.232 -14.728 -5.322 1.00 0.00 C ATOM 332 OD1 ASP A 22 127.413 -15.935 -5.337 1.00 0.00 O ATOM 333 OD2 ASP A 22 126.643 -14.115 -6.198 1.00 0.00 O ATOM 0 H ASP A 22 126.853 -15.787 -2.751 1.00 0.00 H new ATOM 0 HA ASP A 22 129.393 -15.350 -3.949 1.00 0.00 H new ATOM 0 HB2 ASP A 22 126.956 -13.562 -3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 22 128.333 -13.066 -4.486 1.00 0.00 H new ATOM 338 N PRO A 23 130.767 -13.803 -2.390 1.00 0.00 N ATOM 339 CA PRO A 23 131.508 -12.973 -1.397 1.00 0.00 C ATOM 340 C PRO A 23 130.988 -11.525 -1.335 1.00 0.00 C ATOM 341 O PRO A 23 130.816 -10.965 -0.272 1.00 0.00 O ATOM 342 CB PRO A 23 132.964 -13.022 -1.914 1.00 0.00 C ATOM 343 CG PRO A 23 133.004 -13.878 -3.197 1.00 0.00 C ATOM 344 CD PRO A 23 131.586 -14.407 -3.485 1.00 0.00 C ATOM 0 HA PRO A 23 131.394 -13.346 -0.379 1.00 0.00 H new ATOM 0 HB2 PRO A 23 133.326 -12.015 -2.120 1.00 0.00 H new ATOM 0 HB3 PRO A 23 133.621 -13.448 -1.155 1.00 0.00 H new ATOM 0 HG2 PRO A 23 133.363 -13.283 -4.037 1.00 0.00 H new ATOM 0 HG3 PRO A 23 133.699 -14.709 -3.075 1.00 0.00 H new ATOM 0 HD2 PRO A 23 131.233 -14.098 -4.469 1.00 0.00 H new ATOM 0 HD3 PRO A 23 131.550 -15.496 -3.461 1.00 0.00 H new ATOM 352 N LYS A 24 130.761 -10.915 -2.467 1.00 0.00 N ATOM 353 CA LYS A 24 130.280 -9.503 -2.465 1.00 0.00 C ATOM 354 C LYS A 24 128.940 -9.407 -1.724 1.00 0.00 C ATOM 355 O LYS A 24 128.768 -8.583 -0.848 1.00 0.00 O ATOM 356 CB LYS A 24 130.111 -9.029 -3.911 1.00 0.00 C ATOM 357 CG LYS A 24 129.859 -7.518 -3.931 1.00 0.00 C ATOM 358 CD LYS A 24 129.729 -7.040 -5.381 1.00 0.00 C ATOM 359 CE LYS A 24 129.478 -5.529 -5.403 1.00 0.00 C ATOM 360 NZ LYS A 24 128.061 -5.256 -5.031 1.00 0.00 N ATOM 0 H LYS A 24 130.887 -11.331 -3.390 1.00 0.00 H new ATOM 0 HA LYS A 24 131.008 -8.871 -1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 24 131.004 -9.266 -4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 24 129.279 -9.553 -4.381 1.00 0.00 H new ATOM 0 HG2 LYS A 24 128.950 -7.283 -3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 24 130.678 -6.996 -3.437 1.00 0.00 H new ATOM 0 HD2 LYS A 24 130.637 -7.276 -5.935 1.00 0.00 H new ATOM 0 HD3 LYS A 24 128.910 -7.562 -5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 24 130.151 -5.027 -4.708 1.00 0.00 H new ATOM 0 HE3 LYS A 24 129.689 -5.129 -6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 128.025 -4.461 -4.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 127.518 -5.015 -5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 127.650 -6.102 -4.587 1.00 0.00 H new ATOM 374 N ARG A 25 127.992 -10.242 -2.056 1.00 0.00 N ATOM 375 CA ARG A 25 126.677 -10.186 -1.353 1.00 0.00 C ATOM 376 C ARG A 25 126.889 -10.435 0.143 1.00 0.00 C ATOM 377 O ARG A 25 126.381 -9.717 0.981 1.00 0.00 O ATOM 378 CB ARG A 25 125.745 -11.254 -1.930 1.00 0.00 C ATOM 379 CG ARG A 25 124.387 -11.211 -1.220 1.00 0.00 C ATOM 380 CD ARG A 25 123.463 -12.261 -1.840 1.00 0.00 C ATOM 381 NE ARG A 25 122.111 -12.172 -1.211 1.00 0.00 N ATOM 382 CZ ARG A 25 121.209 -11.364 -1.704 1.00 0.00 C ATOM 383 NH1 ARG A 25 120.838 -11.480 -2.949 1.00 0.00 N ATOM 384 NH2 ARG A 25 120.677 -10.441 -0.949 1.00 0.00 N ATOM 0 H ARG A 25 128.070 -10.957 -2.779 1.00 0.00 H new ATOM 0 HA ARG A 25 126.227 -9.203 -1.494 1.00 0.00 H new ATOM 0 HB2 ARG A 25 125.610 -11.090 -2.999 1.00 0.00 H new ATOM 0 HB3 ARG A 25 126.194 -12.240 -1.813 1.00 0.00 H new ATOM 0 HG2 ARG A 25 124.514 -11.404 -0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 25 123.945 -10.219 -1.314 1.00 0.00 H new ATOM 0 HD2 ARG A 25 123.386 -12.103 -2.916 1.00 0.00 H new ATOM 0 HD3 ARG A 25 123.879 -13.258 -1.693 1.00 0.00 H new ATOM 0 HE ARG A 25 121.891 -12.743 -0.395 1.00 0.00 H new ATOM 0 HH11 ARG A 25 121.252 -12.202 -3.539 1.00 0.00 H new ATOM 0 HH12 ARG A 25 120.134 -10.849 -3.332 1.00 0.00 H new ATOM 0 HH21 ARG A 25 120.965 -10.350 0.025 1.00 0.00 H new ATOM 0 HH22 ARG A 25 119.973 -9.811 -1.333 1.00 0.00 H new ATOM 398 N LYS A 26 127.636 -11.450 0.482 1.00 0.00 N ATOM 399 CA LYS A 26 127.881 -11.750 1.920 1.00 0.00 C ATOM 400 C LYS A 26 128.565 -10.547 2.570 1.00 0.00 C ATOM 401 O LYS A 26 128.170 -10.088 3.623 1.00 0.00 O ATOM 402 CB LYS A 26 128.790 -12.981 2.024 1.00 0.00 C ATOM 403 CG LYS A 26 128.963 -13.394 3.492 1.00 0.00 C ATOM 404 CD LYS A 26 130.061 -14.463 3.605 1.00 0.00 C ATOM 405 CE LYS A 26 129.579 -15.781 2.988 1.00 0.00 C ATOM 406 NZ LYS A 26 130.495 -16.885 3.398 1.00 0.00 N ATOM 0 H LYS A 26 128.088 -12.085 -0.176 1.00 0.00 H new ATOM 0 HA LYS A 26 126.938 -11.950 2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 26 128.362 -13.806 1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 26 129.763 -12.761 1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 26 129.225 -12.525 4.096 1.00 0.00 H new ATOM 0 HG3 LYS A 26 128.023 -13.782 3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 26 130.964 -14.123 3.097 1.00 0.00 H new ATOM 0 HD3 LYS A 26 130.323 -14.617 4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 26 128.562 -15.998 3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 26 129.554 -15.699 1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 130.572 -17.577 2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 131.436 -16.495 3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 130.117 -17.353 4.246 1.00 0.00 H new ATOM 420 N GLU A 27 129.590 -10.035 1.949 1.00 0.00 N ATOM 421 CA GLU A 27 130.301 -8.864 2.530 1.00 0.00 C ATOM 422 C GLU A 27 129.345 -7.669 2.619 1.00 0.00 C ATOM 423 O GLU A 27 129.326 -6.956 3.603 1.00 0.00 O ATOM 424 CB GLU A 27 131.496 -8.508 1.641 1.00 0.00 C ATOM 425 CG GLU A 27 132.262 -7.335 2.255 1.00 0.00 C ATOM 426 CD GLU A 27 133.558 -7.109 1.474 1.00 0.00 C ATOM 427 OE1 GLU A 27 133.795 -7.847 0.533 1.00 0.00 O ATOM 428 OE2 GLU A 27 134.293 -6.203 1.832 1.00 0.00 O ATOM 0 H GLU A 27 129.966 -10.377 1.065 1.00 0.00 H new ATOM 0 HA GLU A 27 130.653 -9.111 3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 27 132.154 -9.371 1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 27 131.152 -8.247 0.640 1.00 0.00 H new ATOM 0 HG2 GLU A 27 131.649 -6.434 2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 27 132.486 -7.541 3.302 1.00 0.00 H new ATOM 435 N PHE A 28 128.555 -7.436 1.602 1.00 0.00 N ATOM 436 CA PHE A 28 127.613 -6.283 1.643 1.00 0.00 C ATOM 437 C PHE A 28 126.637 -6.421 2.819 1.00 0.00 C ATOM 438 O PHE A 28 126.427 -5.493 3.574 1.00 0.00 O ATOM 439 CB PHE A 28 126.815 -6.230 0.338 1.00 0.00 C ATOM 440 CG PHE A 28 125.703 -5.219 0.487 1.00 0.00 C ATOM 441 CD1 PHE A 28 124.493 -5.612 1.067 1.00 0.00 C ATOM 442 CD2 PHE A 28 125.892 -3.893 0.085 1.00 0.00 C ATOM 443 CE1 PHE A 28 123.466 -4.683 1.242 1.00 0.00 C ATOM 444 CE2 PHE A 28 124.866 -2.959 0.267 1.00 0.00 C ATOM 445 CZ PHE A 28 123.652 -3.355 0.846 1.00 0.00 C ATOM 0 H PHE A 28 128.523 -7.994 0.749 1.00 0.00 H new ATOM 0 HA PHE A 28 128.192 -5.368 1.768 1.00 0.00 H new ATOM 0 HB2 PHE A 28 127.466 -5.955 -0.492 1.00 0.00 H new ATOM 0 HB3 PHE A 28 126.403 -7.213 0.108 1.00 0.00 H new ATOM 0 HD1 PHE A 28 124.353 -6.636 1.380 1.00 0.00 H new ATOM 0 HD2 PHE A 28 126.826 -3.591 -0.364 1.00 0.00 H new ATOM 0 HE1 PHE A 28 122.529 -4.990 1.683 1.00 0.00 H new ATOM 0 HE2 PHE A 28 125.009 -1.933 -0.039 1.00 0.00 H new ATOM 0 HZ PHE A 28 122.860 -2.634 0.986 1.00 0.00 H new ATOM 455 N LEU A 29 126.012 -7.557 2.958 1.00 0.00 N ATOM 456 CA LEU A 29 125.024 -7.726 4.057 1.00 0.00 C ATOM 457 C LEU A 29 125.717 -7.514 5.401 1.00 0.00 C ATOM 458 O LEU A 29 125.214 -6.827 6.267 1.00 0.00 O ATOM 459 CB LEU A 29 124.442 -9.143 4.004 1.00 0.00 C ATOM 460 CG LEU A 29 123.567 -9.318 2.751 1.00 0.00 C ATOM 461 CD1 LEU A 29 123.255 -10.806 2.565 1.00 0.00 C ATOM 462 CD2 LEU A 29 122.247 -8.534 2.894 1.00 0.00 C ATOM 0 H LEU A 29 126.143 -8.373 2.360 1.00 0.00 H new ATOM 0 HA LEU A 29 124.222 -6.996 3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 29 125.250 -9.875 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 29 123.849 -9.333 4.899 1.00 0.00 H new ATOM 0 HG LEU A 29 124.107 -8.934 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 29 122.635 -10.940 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 29 124.186 -11.360 2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 29 122.722 -11.178 3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 29 121.643 -8.671 1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 29 121.698 -8.901 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 29 122.466 -7.474 3.025 1.00 0.00 H new ATOM 474 N ASP A 30 126.869 -8.091 5.584 1.00 0.00 N ATOM 475 CA ASP A 30 127.579 -7.912 6.878 1.00 0.00 C ATOM 476 C ASP A 30 127.859 -6.423 7.100 1.00 0.00 C ATOM 477 O ASP A 30 127.747 -5.922 8.201 1.00 0.00 O ATOM 478 CB ASP A 30 128.904 -8.679 6.845 1.00 0.00 C ATOM 479 CG ASP A 30 129.630 -8.515 8.185 1.00 0.00 C ATOM 480 OD1 ASP A 30 129.269 -7.618 8.930 1.00 0.00 O ATOM 481 OD2 ASP A 30 130.533 -9.292 8.443 1.00 0.00 O ATOM 0 H ASP A 30 127.348 -8.675 4.898 1.00 0.00 H new ATOM 0 HA ASP A 30 126.959 -8.293 7.689 1.00 0.00 H new ATOM 0 HB2 ASP A 30 128.719 -9.735 6.648 1.00 0.00 H new ATOM 0 HB3 ASP A 30 129.530 -8.308 6.034 1.00 0.00 H new ATOM 486 N ASP A 31 128.233 -5.713 6.070 1.00 0.00 N ATOM 487 CA ASP A 31 128.528 -4.263 6.245 1.00 0.00 C ATOM 488 C ASP A 31 127.226 -3.491 6.498 1.00 0.00 C ATOM 489 O ASP A 31 127.124 -2.728 7.438 1.00 0.00 O ATOM 490 CB ASP A 31 129.208 -3.727 4.985 1.00 0.00 C ATOM 491 CG ASP A 31 130.613 -4.322 4.867 1.00 0.00 C ATOM 492 OD1 ASP A 31 131.161 -4.704 5.888 1.00 0.00 O ATOM 493 OD2 ASP A 31 131.119 -4.382 3.758 1.00 0.00 O ATOM 0 H ASP A 31 128.346 -6.071 5.122 1.00 0.00 H new ATOM 0 HA ASP A 31 129.191 -4.131 7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 31 128.619 -3.983 4.105 1.00 0.00 H new ATOM 0 HB3 ASP A 31 129.265 -2.639 5.025 1.00 0.00 H new ATOM 498 N LEU A 32 126.223 -3.681 5.674 1.00 0.00 N ATOM 499 CA LEU A 32 124.941 -2.948 5.895 1.00 0.00 C ATOM 500 C LEU A 32 124.376 -3.319 7.271 1.00 0.00 C ATOM 501 O LEU A 32 124.049 -2.458 8.060 1.00 0.00 O ATOM 502 CB LEU A 32 123.936 -3.286 4.780 1.00 0.00 C ATOM 503 CG LEU A 32 122.543 -2.739 5.128 1.00 0.00 C ATOM 504 CD1 LEU A 32 122.634 -1.253 5.491 1.00 0.00 C ATOM 505 CD2 LEU A 32 121.628 -2.898 3.912 1.00 0.00 C ATOM 0 H LEU A 32 126.237 -4.305 4.867 1.00 0.00 H new ATOM 0 HA LEU A 32 125.125 -1.874 5.867 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.275 -2.860 3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.885 -4.366 4.643 1.00 0.00 H new ATOM 0 HG LEU A 32 122.144 -3.292 5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 32 121.641 -0.877 5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.291 -1.128 6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 32 123.035 -0.696 4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 32 120.637 -2.512 4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 32 122.041 -2.342 3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 32 121.553 -3.953 3.648 1.00 0.00 H new ATOM 517 N PHE A 33 124.280 -4.583 7.587 1.00 0.00 N ATOM 518 CA PHE A 33 123.748 -4.952 8.934 1.00 0.00 C ATOM 519 C PHE A 33 124.645 -4.324 10.007 1.00 0.00 C ATOM 520 O PHE A 33 124.176 -3.885 11.034 1.00 0.00 O ATOM 521 CB PHE A 33 123.735 -6.483 9.130 1.00 0.00 C ATOM 522 CG PHE A 33 122.529 -7.111 8.447 1.00 0.00 C ATOM 523 CD1 PHE A 33 121.219 -6.746 8.821 1.00 0.00 C ATOM 524 CD2 PHE A 33 122.720 -8.076 7.446 1.00 0.00 C ATOM 525 CE1 PHE A 33 120.122 -7.342 8.184 1.00 0.00 C ATOM 526 CE2 PHE A 33 121.620 -8.666 6.818 1.00 0.00 C ATOM 527 CZ PHE A 33 120.324 -8.299 7.181 1.00 0.00 C ATOM 0 H PHE A 33 124.541 -5.364 6.985 1.00 0.00 H new ATOM 0 HA PHE A 33 122.725 -4.584 9.016 1.00 0.00 H new ATOM 0 HB2 PHE A 33 124.651 -6.913 8.725 1.00 0.00 H new ATOM 0 HB3 PHE A 33 123.717 -6.717 10.195 1.00 0.00 H new ATOM 0 HD1 PHE A 33 121.062 -6.010 9.595 1.00 0.00 H new ATOM 0 HD2 PHE A 33 123.721 -8.364 7.160 1.00 0.00 H new ATOM 0 HE1 PHE A 33 119.118 -7.063 8.467 1.00 0.00 H new ATOM 0 HE2 PHE A 33 121.774 -9.409 6.049 1.00 0.00 H new ATOM 0 HZ PHE A 33 119.476 -8.753 6.689 1.00 0.00 H new ATOM 537 N SER A 34 125.932 -4.304 9.787 1.00 0.00 N ATOM 538 CA SER A 34 126.861 -3.733 10.810 1.00 0.00 C ATOM 539 C SER A 34 126.550 -2.253 11.097 1.00 0.00 C ATOM 540 O SER A 34 126.449 -1.850 12.239 1.00 0.00 O ATOM 541 CB SER A 34 128.298 -3.853 10.303 1.00 0.00 C ATOM 542 OG SER A 34 128.675 -5.223 10.281 1.00 0.00 O ATOM 0 H SER A 34 126.382 -4.658 8.943 1.00 0.00 H new ATOM 0 HA SER A 34 126.731 -4.293 11.736 1.00 0.00 H new ATOM 0 HB2 SER A 34 128.380 -3.425 9.304 1.00 0.00 H new ATOM 0 HB3 SER A 34 128.972 -3.289 10.948 1.00 0.00 H new ATOM 0 HG SER A 34 128.667 -5.550 9.357 1.00 0.00 H new ATOM 548 N PHE A 35 126.416 -1.433 10.087 1.00 0.00 N ATOM 549 CA PHE A 35 126.139 0.017 10.342 1.00 0.00 C ATOM 550 C PHE A 35 124.824 0.184 11.115 1.00 0.00 C ATOM 551 O PHE A 35 124.773 0.832 12.142 1.00 0.00 O ATOM 552 CB PHE A 35 126.027 0.753 9.004 1.00 0.00 C ATOM 553 CG PHE A 35 125.760 2.217 9.256 1.00 0.00 C ATOM 554 CD1 PHE A 35 124.450 2.667 9.454 1.00 0.00 C ATOM 555 CD2 PHE A 35 126.825 3.124 9.299 1.00 0.00 C ATOM 556 CE1 PHE A 35 124.204 4.025 9.694 1.00 0.00 C ATOM 557 CE2 PHE A 35 126.580 4.483 9.539 1.00 0.00 C ATOM 558 CZ PHE A 35 125.269 4.932 9.736 1.00 0.00 C ATOM 0 H PHE A 35 126.485 -1.699 9.105 1.00 0.00 H new ATOM 0 HA PHE A 35 126.955 0.431 10.934 1.00 0.00 H new ATOM 0 HB2 PHE A 35 126.948 0.633 8.433 1.00 0.00 H new ATOM 0 HB3 PHE A 35 125.223 0.323 8.407 1.00 0.00 H new ATOM 0 HD1 PHE A 35 123.628 1.967 9.422 1.00 0.00 H new ATOM 0 HD2 PHE A 35 127.836 2.777 9.147 1.00 0.00 H new ATOM 0 HE1 PHE A 35 123.193 4.372 9.847 1.00 0.00 H new ATOM 0 HE2 PHE A 35 127.402 5.183 9.572 1.00 0.00 H new ATOM 0 HZ PHE A 35 125.079 5.979 9.921 1.00 0.00 H new ATOM 568 N MET A 36 123.765 -0.394 10.624 1.00 0.00 N ATOM 569 CA MET A 36 122.443 -0.279 11.312 1.00 0.00 C ATOM 570 C MET A 36 122.462 -1.062 12.630 1.00 0.00 C ATOM 571 O MET A 36 121.566 -0.950 13.442 1.00 0.00 O ATOM 572 CB MET A 36 121.351 -0.834 10.391 1.00 0.00 C ATOM 573 CG MET A 36 121.658 -2.293 10.034 1.00 0.00 C ATOM 574 SD MET A 36 120.896 -2.700 8.443 1.00 0.00 S ATOM 575 CE MET A 36 119.347 -3.365 9.092 1.00 0.00 C ATOM 0 H MET A 36 123.755 -0.947 9.767 1.00 0.00 H new ATOM 0 HA MET A 36 122.240 0.769 11.534 1.00 0.00 H new ATOM 0 HB2 MET A 36 120.381 -0.768 10.883 1.00 0.00 H new ATOM 0 HB3 MET A 36 121.290 -0.234 9.483 1.00 0.00 H new ATOM 0 HG2 MET A 36 122.736 -2.447 9.983 1.00 0.00 H new ATOM 0 HG3 MET A 36 121.278 -2.956 10.811 1.00 0.00 H new ATOM 0 HE1 MET A 36 118.824 -3.904 8.303 1.00 0.00 H new ATOM 0 HE2 MET A 36 119.560 -4.045 9.917 1.00 0.00 H new ATOM 0 HE3 MET A 36 118.721 -2.547 9.449 1.00 0.00 H new ATOM 585 N GLN A 37 123.464 -1.869 12.836 1.00 0.00 N ATOM 586 CA GLN A 37 123.535 -2.684 14.088 1.00 0.00 C ATOM 587 C GLN A 37 123.453 -1.777 15.318 1.00 0.00 C ATOM 588 O GLN A 37 123.271 -2.243 16.425 1.00 0.00 O ATOM 589 CB GLN A 37 124.857 -3.469 14.123 1.00 0.00 C ATOM 590 CG GLN A 37 124.830 -4.532 15.242 1.00 0.00 C ATOM 591 CD GLN A 37 125.257 -3.908 16.574 1.00 0.00 C ATOM 592 OE1 GLN A 37 126.133 -3.067 16.613 1.00 0.00 O ATOM 593 NE2 GLN A 37 124.667 -4.289 17.675 1.00 0.00 N ATOM 0 H GLN A 37 124.242 -2.002 12.190 1.00 0.00 H new ATOM 0 HA GLN A 37 122.695 -3.378 14.100 1.00 0.00 H new ATOM 0 HB2 GLN A 37 125.025 -3.951 13.160 1.00 0.00 H new ATOM 0 HB3 GLN A 37 125.689 -2.784 14.286 1.00 0.00 H new ATOM 0 HG2 GLN A 37 123.827 -4.950 15.333 1.00 0.00 H new ATOM 0 HG3 GLN A 37 125.497 -5.356 14.987 1.00 0.00 H new ATOM 0 HE21 GLN A 37 123.932 -4.995 17.642 1.00 0.00 H new ATOM 0 HE22 GLN A 37 124.942 -3.880 18.568 1.00 0.00 H new ATOM 602 N LYS A 38 123.574 -0.486 15.154 1.00 0.00 N ATOM 603 CA LYS A 38 123.493 0.405 16.348 1.00 0.00 C ATOM 604 C LYS A 38 122.207 0.063 17.108 1.00 0.00 C ATOM 605 O LYS A 38 122.218 -0.139 18.305 1.00 0.00 O ATOM 606 CB LYS A 38 123.460 1.867 15.899 1.00 0.00 C ATOM 607 CG LYS A 38 123.628 2.779 17.116 1.00 0.00 C ATOM 608 CD LYS A 38 123.595 4.242 16.668 1.00 0.00 C ATOM 609 CE LYS A 38 123.997 5.147 17.835 1.00 0.00 C ATOM 610 NZ LYS A 38 122.924 5.134 18.868 1.00 0.00 N ATOM 0 H LYS A 38 123.723 -0.016 14.261 1.00 0.00 H new ATOM 0 HA LYS A 38 124.361 0.259 16.991 1.00 0.00 H new ATOM 0 HB2 LYS A 38 124.255 2.055 15.178 1.00 0.00 H new ATOM 0 HB3 LYS A 38 122.517 2.083 15.397 1.00 0.00 H new ATOM 0 HG2 LYS A 38 122.833 2.591 17.837 1.00 0.00 H new ATOM 0 HG3 LYS A 38 124.571 2.563 17.618 1.00 0.00 H new ATOM 0 HD2 LYS A 38 124.274 4.391 15.829 1.00 0.00 H new ATOM 0 HD3 LYS A 38 122.596 4.503 16.320 1.00 0.00 H new ATOM 0 HE2 LYS A 38 124.937 4.804 18.268 1.00 0.00 H new ATOM 0 HE3 LYS A 38 124.162 6.164 17.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 123.141 5.837 19.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 122.012 5.366 18.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 122.868 4.189 19.299 1.00 0.00 H new ATOM 624 N ARG A 39 121.110 -0.057 16.410 1.00 0.00 N ATOM 625 CA ARG A 39 119.841 -0.448 17.086 1.00 0.00 C ATOM 626 C ARG A 39 119.972 -1.907 17.522 1.00 0.00 C ATOM 627 O ARG A 39 119.550 -2.289 18.596 1.00 0.00 O ATOM 628 CB ARG A 39 118.661 -0.292 16.118 1.00 0.00 C ATOM 629 CG ARG A 39 118.363 1.198 15.874 1.00 0.00 C ATOM 630 CD ARG A 39 117.507 1.769 17.014 1.00 0.00 C ATOM 631 NE ARG A 39 117.056 3.145 16.646 1.00 0.00 N ATOM 632 CZ ARG A 39 117.722 4.189 17.059 1.00 0.00 C ATOM 633 NH1 ARG A 39 117.650 4.553 18.310 1.00 0.00 N ATOM 634 NH2 ARG A 39 118.461 4.867 16.223 1.00 0.00 N ATOM 0 H ARG A 39 121.038 0.098 15.404 1.00 0.00 H new ATOM 0 HA ARG A 39 119.659 0.191 17.950 1.00 0.00 H new ATOM 0 HB2 ARG A 39 118.890 -0.783 15.172 1.00 0.00 H new ATOM 0 HB3 ARG A 39 117.779 -0.784 16.527 1.00 0.00 H new ATOM 0 HG2 ARG A 39 119.297 1.754 15.799 1.00 0.00 H new ATOM 0 HG3 ARG A 39 117.842 1.320 14.924 1.00 0.00 H new ATOM 0 HD2 ARG A 39 116.645 1.127 17.195 1.00 0.00 H new ATOM 0 HD3 ARG A 39 118.083 1.797 17.939 1.00 0.00 H new ATOM 0 HE ARG A 39 116.224 3.269 16.069 1.00 0.00 H new ATOM 0 HH11 ARG A 39 117.074 4.022 18.963 1.00 0.00 H new ATOM 0 HH12 ARG A 39 118.170 5.368 18.635 1.00 0.00 H new ATOM 0 HH21 ARG A 39 118.519 4.581 15.246 1.00 0.00 H new ATOM 0 HH22 ARG A 39 118.981 5.683 16.547 1.00 0.00 H new ATOM 648 N GLY A 40 120.580 -2.723 16.694 1.00 0.00 N ATOM 649 CA GLY A 40 120.776 -4.164 17.043 1.00 0.00 C ATOM 650 C GLY A 40 119.762 -5.043 16.307 1.00 0.00 C ATOM 651 O GLY A 40 119.830 -6.254 16.378 1.00 0.00 O ATOM 0 H GLY A 40 120.951 -2.449 15.784 1.00 0.00 H new ATOM 0 HA2 GLY A 40 121.788 -4.472 16.782 1.00 0.00 H new ATOM 0 HA3 GLY A 40 120.669 -4.300 18.119 1.00 0.00 H new ATOM 655 N THR A 41 118.816 -4.453 15.610 1.00 0.00 N ATOM 656 CA THR A 41 117.787 -5.268 14.875 1.00 0.00 C ATOM 657 C THR A 41 117.983 -5.126 13.354 1.00 0.00 C ATOM 658 O THR A 41 118.473 -4.116 12.888 1.00 0.00 O ATOM 659 CB THR A 41 116.386 -4.764 15.265 1.00 0.00 C ATOM 660 OG1 THR A 41 116.414 -3.347 15.374 1.00 0.00 O ATOM 661 CG2 THR A 41 115.964 -5.368 16.610 1.00 0.00 C ATOM 0 H THR A 41 118.711 -3.443 15.517 1.00 0.00 H new ATOM 0 HA THR A 41 117.895 -6.319 15.143 1.00 0.00 H new ATOM 0 HB THR A 41 115.671 -5.065 14.500 1.00 0.00 H new ATOM 0 HG1 THR A 41 115.524 -3.020 15.621 1.00 0.00 H new ATOM 0 HG21 THR A 41 114.971 -5.005 16.877 1.00 0.00 H new ATOM 0 HG22 THR A 41 115.943 -6.455 16.530 1.00 0.00 H new ATOM 0 HG23 THR A 41 116.677 -5.074 17.380 1.00 0.00 H new ATOM 669 N PRO A 42 117.599 -6.127 12.576 1.00 0.00 N ATOM 670 CA PRO A 42 117.750 -6.053 11.094 1.00 0.00 C ATOM 671 C PRO A 42 117.096 -4.799 10.493 1.00 0.00 C ATOM 672 O PRO A 42 116.909 -3.796 11.152 1.00 0.00 O ATOM 673 CB PRO A 42 117.029 -7.335 10.612 1.00 0.00 C ATOM 674 CG PRO A 42 116.483 -8.088 11.841 1.00 0.00 C ATOM 675 CD PRO A 42 117.003 -7.391 13.107 1.00 0.00 C ATOM 0 HA PRO A 42 118.794 -5.988 10.788 1.00 0.00 H new ATOM 0 HB2 PRO A 42 116.215 -7.078 9.934 1.00 0.00 H new ATOM 0 HB3 PRO A 42 117.719 -7.970 10.056 1.00 0.00 H new ATOM 0 HG2 PRO A 42 115.393 -8.091 11.830 1.00 0.00 H new ATOM 0 HG3 PRO A 42 116.805 -9.129 11.822 1.00 0.00 H new ATOM 0 HD2 PRO A 42 116.200 -7.191 13.816 1.00 0.00 H new ATOM 0 HD3 PRO A 42 117.744 -7.999 13.627 1.00 0.00 H new ATOM 683 N ILE A 43 116.739 -4.871 9.241 1.00 0.00 N ATOM 684 CA ILE A 43 116.086 -3.718 8.569 1.00 0.00 C ATOM 685 C ILE A 43 114.670 -3.548 9.145 1.00 0.00 C ATOM 686 O ILE A 43 114.427 -3.856 10.295 1.00 0.00 O ATOM 687 CB ILE A 43 116.068 -3.997 7.048 1.00 0.00 C ATOM 688 CG1 ILE A 43 115.988 -2.665 6.262 1.00 0.00 C ATOM 689 CG2 ILE A 43 114.884 -4.919 6.668 1.00 0.00 C ATOM 690 CD1 ILE A 43 117.397 -2.098 6.036 1.00 0.00 C ATOM 0 H ILE A 43 116.875 -5.691 8.649 1.00 0.00 H new ATOM 0 HA ILE A 43 116.628 -2.788 8.741 1.00 0.00 H new ATOM 0 HB ILE A 43 116.993 -4.508 6.783 1.00 0.00 H new ATOM 0 HG12 ILE A 43 115.496 -2.829 5.303 1.00 0.00 H new ATOM 0 HG13 ILE A 43 115.382 -1.945 6.812 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.894 -5.100 5.593 1.00 0.00 H new ATOM 0 HG22 ILE A 43 114.978 -5.868 7.196 1.00 0.00 H new ATOM 0 HG23 ILE A 43 113.946 -4.440 6.947 1.00 0.00 H new ATOM 0 HD11 ILE A 43 117.328 -1.162 5.482 1.00 0.00 H new ATOM 0 HD12 ILE A 43 117.875 -1.916 6.999 1.00 0.00 H new ATOM 0 HD13 ILE A 43 117.990 -2.813 5.466 1.00 0.00 H new ATOM 702 N ASN A 44 113.736 -3.057 8.376 1.00 0.00 N ATOM 703 CA ASN A 44 112.355 -2.873 8.917 1.00 0.00 C ATOM 704 C ASN A 44 111.578 -4.193 8.839 1.00 0.00 C ATOM 705 O ASN A 44 111.052 -4.664 9.826 1.00 0.00 O ATOM 706 CB ASN A 44 111.624 -1.805 8.100 1.00 0.00 C ATOM 707 CG ASN A 44 110.220 -1.598 8.672 1.00 0.00 C ATOM 708 OD1 ASN A 44 109.714 -2.438 9.390 1.00 0.00 O ATOM 709 ND2 ASN A 44 109.564 -0.509 8.382 1.00 0.00 N ATOM 0 H ASN A 44 113.866 -2.777 7.404 1.00 0.00 H new ATOM 0 HA ASN A 44 112.421 -2.558 9.958 1.00 0.00 H new ATOM 0 HB2 ASN A 44 112.181 -0.868 8.125 1.00 0.00 H new ATOM 0 HB3 ASN A 44 111.561 -2.110 7.055 1.00 0.00 H new ATOM 0 HD21 ASN A 44 108.627 -0.363 8.758 1.00 0.00 H new ATOM 0 HD22 ASN A 44 109.988 0.197 7.780 1.00 0.00 H new ATOM 716 N ARG A 45 111.496 -4.799 7.682 1.00 0.00 N ATOM 717 CA ARG A 45 110.745 -6.088 7.578 1.00 0.00 C ATOM 718 C ARG A 45 111.234 -6.882 6.360 1.00 0.00 C ATOM 719 O ARG A 45 111.645 -6.318 5.366 1.00 0.00 O ATOM 720 CB ARG A 45 109.248 -5.793 7.438 1.00 0.00 C ATOM 721 CG ARG A 45 108.447 -7.070 7.700 1.00 0.00 C ATOM 722 CD ARG A 45 106.952 -6.771 7.582 1.00 0.00 C ATOM 723 NE ARG A 45 106.585 -5.680 8.532 1.00 0.00 N ATOM 724 CZ ARG A 45 106.295 -5.956 9.775 1.00 0.00 C ATOM 725 NH1 ARG A 45 105.202 -6.611 10.060 1.00 0.00 N ATOM 726 NH2 ARG A 45 107.095 -5.571 10.731 1.00 0.00 N ATOM 0 H ARG A 45 111.911 -4.462 6.813 1.00 0.00 H new ATOM 0 HA ARG A 45 110.917 -6.680 8.477 1.00 0.00 H new ATOM 0 HB2 ARG A 45 108.953 -5.015 8.143 1.00 0.00 H new ATOM 0 HB3 ARG A 45 109.033 -5.416 6.438 1.00 0.00 H new ATOM 0 HG2 ARG A 45 108.731 -7.843 6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 45 108.674 -7.456 8.694 1.00 0.00 H new ATOM 0 HD2 ARG A 45 106.709 -6.476 6.561 1.00 0.00 H new ATOM 0 HD3 ARG A 45 106.373 -7.668 7.801 1.00 0.00 H new ATOM 0 HE ARG A 45 106.561 -4.713 8.208 1.00 0.00 H new ATOM 0 HH11 ARG A 45 104.575 -6.907 9.312 1.00 0.00 H new ATOM 0 HH12 ARG A 45 104.975 -6.827 11.031 1.00 0.00 H new ATOM 0 HH21 ARG A 45 107.946 -5.055 10.507 1.00 0.00 H new ATOM 0 HH22 ARG A 45 106.870 -5.786 11.702 1.00 0.00 H new ATOM 740 N LEU A 46 111.192 -8.193 6.436 1.00 0.00 N ATOM 741 CA LEU A 46 111.647 -9.048 5.290 1.00 0.00 C ATOM 742 C LEU A 46 110.612 -10.156 5.037 1.00 0.00 C ATOM 743 O LEU A 46 110.798 -11.279 5.460 1.00 0.00 O ATOM 744 CB LEU A 46 112.990 -9.708 5.641 1.00 0.00 C ATOM 745 CG LEU A 46 114.102 -8.646 5.767 1.00 0.00 C ATOM 746 CD1 LEU A 46 115.206 -9.167 6.694 1.00 0.00 C ATOM 747 CD2 LEU A 46 114.716 -8.354 4.389 1.00 0.00 C ATOM 0 H LEU A 46 110.859 -8.711 7.249 1.00 0.00 H new ATOM 0 HA LEU A 46 111.757 -8.425 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 46 112.897 -10.258 6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 46 113.257 -10.432 4.872 1.00 0.00 H new ATOM 0 HG LEU A 46 113.667 -7.733 6.174 1.00 0.00 H new ATOM 0 HD11 LEU A 46 115.991 -8.416 6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 46 114.787 -9.372 7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 46 115.626 -10.084 6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 46 115.499 -7.603 4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 46 115.142 -9.270 3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 46 113.942 -7.982 3.717 1.00 0.00 H new ATOM 759 N PRO A 47 109.528 -9.856 4.358 1.00 0.00 N ATOM 760 CA PRO A 47 108.486 -10.890 4.084 1.00 0.00 C ATOM 761 C PRO A 47 108.993 -11.984 3.128 1.00 0.00 C ATOM 762 O PRO A 47 110.115 -11.939 2.660 1.00 0.00 O ATOM 763 CB PRO A 47 107.347 -10.058 3.451 1.00 0.00 C ATOM 764 CG PRO A 47 107.789 -8.579 3.395 1.00 0.00 C ATOM 765 CD PRO A 47 109.263 -8.492 3.827 1.00 0.00 C ATOM 0 HA PRO A 47 108.180 -11.437 4.976 1.00 0.00 H new ATOM 0 HB2 PRO A 47 107.123 -10.424 2.449 1.00 0.00 H new ATOM 0 HB3 PRO A 47 106.434 -10.158 4.038 1.00 0.00 H new ATOM 0 HG2 PRO A 47 107.666 -8.185 2.386 1.00 0.00 H new ATOM 0 HG3 PRO A 47 107.166 -7.972 4.052 1.00 0.00 H new ATOM 0 HD2 PRO A 47 109.917 -8.249 2.989 1.00 0.00 H new ATOM 0 HD3 PRO A 47 109.418 -7.725 4.585 1.00 0.00 H new ATOM 773 N ILE A 48 108.167 -12.958 2.830 1.00 0.00 N ATOM 774 CA ILE A 48 108.576 -14.055 1.902 1.00 0.00 C ATOM 775 C ILE A 48 107.816 -13.872 0.593 1.00 0.00 C ATOM 776 O ILE A 48 106.612 -13.713 0.588 1.00 0.00 O ATOM 777 CB ILE A 48 108.196 -15.411 2.502 1.00 0.00 C ATOM 778 CG1 ILE A 48 108.710 -15.512 3.945 1.00 0.00 C ATOM 779 CG2 ILE A 48 108.811 -16.535 1.660 1.00 0.00 C ATOM 780 CD1 ILE A 48 110.207 -15.186 4.008 1.00 0.00 C ATOM 0 H ILE A 48 107.218 -13.039 3.195 1.00 0.00 H new ATOM 0 HA ILE A 48 109.653 -14.022 1.739 1.00 0.00 H new ATOM 0 HB ILE A 48 107.110 -15.507 2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 48 108.155 -14.824 4.583 1.00 0.00 H new ATOM 0 HG13 ILE A 48 108.534 -16.517 4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 48 108.540 -17.500 2.088 1.00 0.00 H new ATOM 0 HG22 ILE A 48 108.435 -16.472 0.639 1.00 0.00 H new ATOM 0 HG23 ILE A 48 109.896 -16.433 1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 48 110.553 -15.263 5.039 1.00 0.00 H new ATOM 0 HD12 ILE A 48 110.759 -15.891 3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 48 110.374 -14.172 3.644 1.00 0.00 H new ATOM 841 N SER A 52 110.674 -17.525 -2.879 1.00 0.00 N ATOM 842 CA SER A 52 111.972 -16.931 -2.442 1.00 0.00 C ATOM 843 C SER A 52 111.704 -15.871 -1.382 1.00 0.00 C ATOM 844 O SER A 52 110.618 -15.786 -0.841 1.00 0.00 O ATOM 845 CB SER A 52 112.668 -16.288 -3.644 1.00 0.00 C ATOM 846 OG SER A 52 111.759 -15.415 -4.302 1.00 0.00 O ATOM 0 HA SER A 52 112.612 -17.710 -2.028 1.00 0.00 H new ATOM 0 HB2 SER A 52 113.548 -15.735 -3.316 1.00 0.00 H new ATOM 0 HB3 SER A 52 113.014 -17.058 -4.333 1.00 0.00 H new ATOM 0 HG SER A 52 110.849 -15.769 -4.220 1.00 0.00 H new ATOM 852 N VAL A 53 112.687 -15.062 -1.079 1.00 0.00 N ATOM 853 CA VAL A 53 112.513 -13.993 -0.047 1.00 0.00 C ATOM 854 C VAL A 53 112.754 -12.625 -0.681 1.00 0.00 C ATOM 855 O VAL A 53 113.514 -12.488 -1.619 1.00 0.00 O ATOM 856 CB VAL A 53 113.515 -14.221 1.081 1.00 0.00 C ATOM 857 CG1 VAL A 53 113.115 -13.381 2.294 1.00 0.00 C ATOM 858 CG2 VAL A 53 113.505 -15.704 1.458 1.00 0.00 C ATOM 0 H VAL A 53 113.612 -15.096 -1.507 1.00 0.00 H new ATOM 0 HA VAL A 53 111.499 -14.028 0.351 1.00 0.00 H new ATOM 0 HB VAL A 53 114.514 -13.929 0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 53 113.830 -13.543 3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 53 113.110 -12.326 2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 53 112.120 -13.674 2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 53 114.218 -15.879 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 53 112.506 -15.989 1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 53 113.784 -16.302 0.590 1.00 0.00 H new ATOM 868 N LEU A 54 112.102 -11.613 -0.181 1.00 0.00 N ATOM 869 CA LEU A 54 112.279 -10.252 -0.759 1.00 0.00 C ATOM 870 C LEU A 54 113.746 -9.836 -0.615 1.00 0.00 C ATOM 871 O LEU A 54 114.196 -9.459 0.448 1.00 0.00 O ATOM 872 CB LEU A 54 111.380 -9.271 0.002 1.00 0.00 C ATOM 873 CG LEU A 54 111.513 -7.857 -0.578 1.00 0.00 C ATOM 874 CD1 LEU A 54 111.084 -7.846 -2.057 1.00 0.00 C ATOM 875 CD2 LEU A 54 110.619 -6.909 0.228 1.00 0.00 C ATOM 0 H LEU A 54 111.453 -11.670 0.604 1.00 0.00 H new ATOM 0 HA LEU A 54 112.007 -10.249 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 54 110.342 -9.599 -0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 54 111.651 -9.264 1.058 1.00 0.00 H new ATOM 0 HG LEU A 54 112.552 -7.533 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 54 111.183 -6.837 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 54 111.719 -8.525 -2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 54 110.046 -8.168 -2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 54 110.704 -5.899 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 54 109.583 -7.241 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 54 110.933 -6.912 1.272 1.00 0.00 H new ATOM 887 N ASP A 55 114.494 -9.912 -1.684 1.00 0.00 N ATOM 888 CA ASP A 55 115.934 -9.534 -1.623 1.00 0.00 C ATOM 889 C ASP A 55 116.075 -8.024 -1.422 1.00 0.00 C ATOM 890 O ASP A 55 115.931 -7.254 -2.346 1.00 0.00 O ATOM 891 CB ASP A 55 116.615 -9.938 -2.932 1.00 0.00 C ATOM 892 CG ASP A 55 118.125 -9.731 -2.808 1.00 0.00 C ATOM 893 OD1 ASP A 55 118.534 -9.040 -1.890 1.00 0.00 O ATOM 894 OD2 ASP A 55 118.847 -10.269 -3.631 1.00 0.00 O ATOM 0 H ASP A 55 114.167 -10.221 -2.599 1.00 0.00 H new ATOM 0 HA ASP A 55 116.404 -10.048 -0.785 1.00 0.00 H new ATOM 0 HB2 ASP A 55 116.398 -10.982 -3.160 1.00 0.00 H new ATOM 0 HB3 ASP A 55 116.222 -9.343 -3.757 1.00 0.00 H new ATOM 899 N LEU A 56 116.368 -7.590 -0.227 1.00 0.00 N ATOM 900 CA LEU A 56 116.527 -6.125 0.013 1.00 0.00 C ATOM 901 C LEU A 56 117.619 -5.574 -0.907 1.00 0.00 C ATOM 902 O LEU A 56 117.670 -4.394 -1.195 1.00 0.00 O ATOM 903 CB LEU A 56 116.912 -5.877 1.482 1.00 0.00 C ATOM 904 CG LEU A 56 118.306 -6.493 1.803 1.00 0.00 C ATOM 905 CD1 LEU A 56 119.397 -5.412 1.763 1.00 0.00 C ATOM 906 CD2 LEU A 56 118.294 -7.108 3.209 1.00 0.00 C ATOM 0 H LEU A 56 116.504 -8.183 0.592 1.00 0.00 H new ATOM 0 HA LEU A 56 115.585 -5.619 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 56 116.929 -4.806 1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 56 116.158 -6.312 2.138 1.00 0.00 H new ATOM 0 HG LEU A 56 118.517 -7.257 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 56 120.364 -5.862 1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 56 119.429 -4.964 0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 56 119.173 -4.642 2.501 1.00 0.00 H new ATOM 0 HD21 LEU A 56 119.272 -7.537 3.427 1.00 0.00 H new ATOM 0 HD22 LEU A 56 118.065 -6.335 3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 56 117.536 -7.890 3.258 1.00 0.00 H new ATOM 918 N TYR A 57 118.509 -6.419 -1.346 1.00 0.00 N ATOM 919 CA TYR A 57 119.624 -5.957 -2.221 1.00 0.00 C ATOM 920 C TYR A 57 119.070 -5.332 -3.512 1.00 0.00 C ATOM 921 O TYR A 57 119.579 -4.340 -3.994 1.00 0.00 O ATOM 922 CB TYR A 57 120.512 -7.167 -2.570 1.00 0.00 C ATOM 923 CG TYR A 57 121.922 -6.718 -2.913 1.00 0.00 C ATOM 924 CD1 TYR A 57 122.158 -5.936 -4.052 1.00 0.00 C ATOM 925 CD2 TYR A 57 122.998 -7.091 -2.091 1.00 0.00 C ATOM 926 CE1 TYR A 57 123.455 -5.525 -4.366 1.00 0.00 C ATOM 927 CE2 TYR A 57 124.299 -6.680 -2.407 1.00 0.00 C ATOM 928 CZ TYR A 57 124.528 -5.894 -3.544 1.00 0.00 C ATOM 929 OH TYR A 57 125.810 -5.491 -3.857 1.00 0.00 O ATOM 0 H TYR A 57 118.513 -7.417 -1.135 1.00 0.00 H new ATOM 0 HA TYR A 57 120.208 -5.201 -1.695 1.00 0.00 H new ATOM 0 HB2 TYR A 57 120.540 -7.858 -1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 57 120.082 -7.708 -3.413 1.00 0.00 H new ATOM 0 HD1 TYR A 57 121.334 -5.650 -4.689 1.00 0.00 H new ATOM 0 HD2 TYR A 57 122.822 -7.696 -1.214 1.00 0.00 H new ATOM 0 HE1 TYR A 57 123.631 -4.922 -5.244 1.00 0.00 H new ATOM 0 HE2 TYR A 57 125.125 -6.969 -1.775 1.00 0.00 H new ATOM 0 HH TYR A 57 126.333 -5.396 -3.034 1.00 0.00 H new ATOM 939 N GLU A 58 118.051 -5.907 -4.090 1.00 0.00 N ATOM 940 CA GLU A 58 117.517 -5.341 -5.364 1.00 0.00 C ATOM 941 C GLU A 58 116.941 -3.940 -5.126 1.00 0.00 C ATOM 942 O GLU A 58 117.003 -3.086 -5.984 1.00 0.00 O ATOM 943 CB GLU A 58 116.447 -6.280 -5.944 1.00 0.00 C ATOM 944 CG GLU A 58 115.108 -6.089 -5.220 1.00 0.00 C ATOM 945 CD GLU A 58 114.211 -7.306 -5.465 1.00 0.00 C ATOM 946 OE1 GLU A 58 114.619 -8.176 -6.216 1.00 0.00 O ATOM 947 OE2 GLU A 58 113.131 -7.346 -4.898 1.00 0.00 O ATOM 0 H GLU A 58 117.569 -6.735 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 58 118.331 -5.254 -6.084 1.00 0.00 H new ATOM 0 HB2 GLU A 58 116.322 -6.083 -7.009 1.00 0.00 H new ATOM 0 HB3 GLU A 58 116.774 -7.315 -5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 58 115.277 -5.959 -4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 58 114.616 -5.184 -5.578 1.00 0.00 H new ATOM 954 N LEU A 59 116.398 -3.676 -3.974 1.00 0.00 N ATOM 955 CA LEU A 59 115.862 -2.309 -3.737 1.00 0.00 C ATOM 956 C LEU A 59 117.016 -1.318 -3.887 1.00 0.00 C ATOM 957 O LEU A 59 116.915 -0.326 -4.582 1.00 0.00 O ATOM 958 CB LEU A 59 115.274 -2.215 -2.317 1.00 0.00 C ATOM 959 CG LEU A 59 114.719 -0.802 -2.044 1.00 0.00 C ATOM 960 CD1 LEU A 59 113.455 -0.551 -2.880 1.00 0.00 C ATOM 961 CD2 LEU A 59 114.373 -0.675 -0.557 1.00 0.00 C ATOM 0 H LEU A 59 116.302 -4.332 -3.199 1.00 0.00 H new ATOM 0 HA LEU A 59 115.072 -2.083 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 59 114.479 -2.951 -2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 59 116.044 -2.456 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 59 115.475 -0.067 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 59 113.076 0.450 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 59 113.696 -0.638 -3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 59 112.694 -1.287 -2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 59 113.980 0.322 -0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 59 113.622 -1.420 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 59 115.270 -0.837 0.040 1.00 0.00 H new ATOM 973 N TYR A 60 118.112 -1.579 -3.226 1.00 0.00 N ATOM 974 CA TYR A 60 119.278 -0.657 -3.310 1.00 0.00 C ATOM 975 C TYR A 60 119.822 -0.569 -4.743 1.00 0.00 C ATOM 976 O TYR A 60 120.040 0.511 -5.256 1.00 0.00 O ATOM 977 CB TYR A 60 120.384 -1.130 -2.364 1.00 0.00 C ATOM 978 CG TYR A 60 121.465 -0.080 -2.336 1.00 0.00 C ATOM 979 CD1 TYR A 60 121.171 1.200 -1.858 1.00 0.00 C ATOM 980 CD2 TYR A 60 122.748 -0.370 -2.815 1.00 0.00 C ATOM 981 CE1 TYR A 60 122.147 2.188 -1.858 1.00 0.00 C ATOM 982 CE2 TYR A 60 123.734 0.623 -2.808 1.00 0.00 C ATOM 983 CZ TYR A 60 123.430 1.903 -2.330 1.00 0.00 C ATOM 984 OH TYR A 60 124.390 2.888 -2.331 1.00 0.00 O ATOM 0 H TYR A 60 118.249 -2.395 -2.629 1.00 0.00 H new ATOM 0 HA TYR A 60 118.943 0.337 -3.015 1.00 0.00 H new ATOM 0 HB2 TYR A 60 119.984 -1.290 -1.363 1.00 0.00 H new ATOM 0 HB3 TYR A 60 120.790 -2.084 -2.701 1.00 0.00 H new ATOM 0 HD1 TYR A 60 120.181 1.422 -1.487 1.00 0.00 H new ATOM 0 HD2 TYR A 60 122.976 -1.357 -3.189 1.00 0.00 H new ATOM 0 HE1 TYR A 60 121.914 3.177 -1.493 1.00 0.00 H new ATOM 0 HE2 TYR A 60 124.727 0.402 -3.171 1.00 0.00 H new ATOM 0 HH TYR A 60 125.207 2.549 -1.909 1.00 0.00 H new ATOM 994 N ASN A 61 120.072 -1.678 -5.394 1.00 0.00 N ATOM 995 CA ASN A 61 120.628 -1.598 -6.776 1.00 0.00 C ATOM 996 C ASN A 61 119.650 -0.818 -7.670 1.00 0.00 C ATOM 997 O ASN A 61 120.054 -0.013 -8.487 1.00 0.00 O ATOM 998 CB ASN A 61 120.878 -3.025 -7.327 1.00 0.00 C ATOM 999 CG ASN A 61 119.672 -3.545 -8.121 1.00 0.00 C ATOM 1000 OD1 ASN A 61 118.562 -3.530 -7.642 1.00 0.00 O ATOM 1001 ND2 ASN A 61 119.854 -4.004 -9.329 1.00 0.00 N ATOM 0 H ASN A 61 119.918 -2.620 -5.034 1.00 0.00 H new ATOM 0 HA ASN A 61 121.583 -1.072 -6.764 1.00 0.00 H new ATOM 0 HB2 ASN A 61 121.760 -3.019 -7.967 1.00 0.00 H new ATOM 0 HB3 ASN A 61 121.089 -3.703 -6.500 1.00 0.00 H new ATOM 0 HD21 ASN A 61 119.060 -4.350 -9.868 1.00 0.00 H new ATOM 0 HD22 ASN A 61 120.790 -4.017 -9.734 1.00 0.00 H new ATOM 1008 N LEU A 62 118.371 -1.035 -7.513 1.00 0.00 N ATOM 1009 CA LEU A 62 117.390 -0.285 -8.348 1.00 0.00 C ATOM 1010 C LEU A 62 117.444 1.201 -7.977 1.00 0.00 C ATOM 1011 O LEU A 62 117.375 2.063 -8.824 1.00 0.00 O ATOM 1012 CB LEU A 62 115.971 -0.825 -8.093 1.00 0.00 C ATOM 1013 CG LEU A 62 115.765 -2.168 -8.825 1.00 0.00 C ATOM 1014 CD1 LEU A 62 114.648 -2.966 -8.142 1.00 0.00 C ATOM 1015 CD2 LEU A 62 115.357 -1.917 -10.284 1.00 0.00 C ATOM 0 H LEU A 62 117.966 -1.694 -6.848 1.00 0.00 H new ATOM 0 HA LEU A 62 117.639 -0.411 -9.402 1.00 0.00 H new ATOM 0 HB2 LEU A 62 115.813 -0.959 -7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 62 115.232 -0.100 -8.436 1.00 0.00 H new ATOM 0 HG LEU A 62 116.701 -2.726 -8.792 1.00 0.00 H new ATOM 0 HD11 LEU A 62 114.507 -3.913 -8.663 1.00 0.00 H new ATOM 0 HD12 LEU A 62 114.921 -3.159 -7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 62 113.721 -2.393 -8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 62 115.214 -2.871 -10.791 1.00 0.00 H new ATOM 0 HD22 LEU A 62 114.426 -1.350 -10.309 1.00 0.00 H new ATOM 0 HD23 LEU A 62 116.140 -1.351 -10.789 1.00 0.00 H new ATOM 1027 N VAL A 63 117.570 1.502 -6.715 1.00 0.00 N ATOM 1028 CA VAL A 63 117.628 2.928 -6.284 1.00 0.00 C ATOM 1029 C VAL A 63 118.848 3.621 -6.917 1.00 0.00 C ATOM 1030 O VAL A 63 118.719 4.650 -7.548 1.00 0.00 O ATOM 1031 CB VAL A 63 117.693 2.958 -4.743 1.00 0.00 C ATOM 1032 CG1 VAL A 63 118.294 4.278 -4.242 1.00 0.00 C ATOM 1033 CG2 VAL A 63 116.271 2.795 -4.170 1.00 0.00 C ATOM 0 H VAL A 63 117.636 0.820 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 63 116.742 3.470 -6.616 1.00 0.00 H new ATOM 0 HB VAL A 63 118.331 2.140 -4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 63 118.328 4.272 -3.153 1.00 0.00 H new ATOM 0 HG12 VAL A 63 119.304 4.391 -4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 63 117.677 5.110 -4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 63 116.313 2.816 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 63 115.640 3.610 -4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 63 115.853 1.844 -4.499 1.00 0.00 H new ATOM 1043 N ILE A 64 120.023 3.069 -6.770 1.00 0.00 N ATOM 1044 CA ILE A 64 121.225 3.711 -7.384 1.00 0.00 C ATOM 1045 C ILE A 64 121.081 3.707 -8.908 1.00 0.00 C ATOM 1046 O ILE A 64 121.431 4.660 -9.577 1.00 0.00 O ATOM 1047 CB ILE A 64 122.486 2.932 -6.985 1.00 0.00 C ATOM 1048 CG1 ILE A 64 122.640 2.933 -5.452 1.00 0.00 C ATOM 1049 CG2 ILE A 64 123.724 3.566 -7.638 1.00 0.00 C ATOM 1050 CD1 ILE A 64 122.678 4.368 -4.904 1.00 0.00 C ATOM 0 H ILE A 64 120.203 2.207 -6.255 1.00 0.00 H new ATOM 0 HA ILE A 64 121.309 4.738 -7.029 1.00 0.00 H new ATOM 0 HB ILE A 64 122.392 1.903 -7.332 1.00 0.00 H new ATOM 0 HG12 ILE A 64 121.811 2.389 -4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 64 123.555 2.409 -5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 64 124.614 3.007 -7.349 1.00 0.00 H new ATOM 0 HG22 ILE A 64 123.616 3.542 -8.722 1.00 0.00 H new ATOM 0 HG23 ILE A 64 123.821 4.600 -7.306 1.00 0.00 H new ATOM 0 HD11 ILE A 64 122.787 4.341 -3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 64 123.522 4.902 -5.340 1.00 0.00 H new ATOM 0 HD13 ILE A 64 121.752 4.881 -5.162 1.00 0.00 H new ATOM 1062 N ALA A 65 120.578 2.642 -9.461 1.00 0.00 N ATOM 1063 CA ALA A 65 120.416 2.564 -10.940 1.00 0.00 C ATOM 1064 C ALA A 65 119.627 3.775 -11.452 1.00 0.00 C ATOM 1065 O ALA A 65 119.582 4.036 -12.639 1.00 0.00 O ATOM 1066 CB ALA A 65 119.663 1.281 -11.297 1.00 0.00 C ATOM 0 H ALA A 65 120.269 1.815 -8.950 1.00 0.00 H new ATOM 0 HA ALA A 65 121.401 2.560 -11.407 1.00 0.00 H new ATOM 0 HB1 ALA A 65 119.542 1.219 -12.378 1.00 0.00 H new ATOM 0 HB2 ALA A 65 120.228 0.418 -10.945 1.00 0.00 H new ATOM 0 HB3 ALA A 65 118.682 1.291 -10.822 1.00 0.00 H new ATOM 1072 N ARG A 66 118.994 4.513 -10.574 1.00 0.00 N ATOM 1073 CA ARG A 66 118.194 5.704 -11.016 1.00 0.00 C ATOM 1074 C ARG A 66 118.999 6.989 -10.798 1.00 0.00 C ATOM 1075 O ARG A 66 118.483 8.081 -10.934 1.00 0.00 O ATOM 1076 CB ARG A 66 116.901 5.774 -10.198 1.00 0.00 C ATOM 1077 CG ARG A 66 116.071 4.501 -10.409 1.00 0.00 C ATOM 1078 CD ARG A 66 115.327 4.556 -11.749 1.00 0.00 C ATOM 1079 NE ARG A 66 114.368 3.417 -11.819 1.00 0.00 N ATOM 1080 CZ ARG A 66 114.791 2.229 -12.153 1.00 0.00 C ATOM 1081 NH1 ARG A 66 115.577 1.566 -11.348 1.00 0.00 N ATOM 1082 NH2 ARG A 66 114.433 1.704 -13.293 1.00 0.00 N ATOM 0 H ARG A 66 118.995 4.344 -9.568 1.00 0.00 H new ATOM 0 HA ARG A 66 117.960 5.604 -12.076 1.00 0.00 H new ATOM 0 HB2 ARG A 66 117.137 5.892 -9.140 1.00 0.00 H new ATOM 0 HB3 ARG A 66 116.321 6.648 -10.495 1.00 0.00 H new ATOM 0 HG2 ARG A 66 116.723 3.628 -10.385 1.00 0.00 H new ATOM 0 HG3 ARG A 66 115.356 4.388 -9.594 1.00 0.00 H new ATOM 0 HD2 ARG A 66 114.795 5.502 -11.846 1.00 0.00 H new ATOM 0 HD3 ARG A 66 116.036 4.503 -12.575 1.00 0.00 H new ATOM 0 HE ARG A 66 113.382 3.566 -11.606 1.00 0.00 H new ATOM 0 HH11 ARG A 66 115.860 1.977 -10.458 1.00 0.00 H new ATOM 0 HH12 ARG A 66 115.908 0.637 -11.609 1.00 0.00 H new ATOM 0 HH21 ARG A 66 113.822 2.223 -13.924 1.00 0.00 H new ATOM 0 HH22 ARG A 66 114.764 0.775 -13.553 1.00 0.00 H new ATOM 1096 N GLY A 67 120.260 6.874 -10.475 1.00 0.00 N ATOM 1097 CA GLY A 67 121.099 8.094 -10.262 1.00 0.00 C ATOM 1098 C GLY A 67 121.167 8.441 -8.773 1.00 0.00 C ATOM 1099 O GLY A 67 121.913 9.313 -8.373 1.00 0.00 O ATOM 0 H GLY A 67 120.748 5.987 -10.349 1.00 0.00 H new ATOM 0 HA2 GLY A 67 122.104 7.924 -10.649 1.00 0.00 H new ATOM 0 HA3 GLY A 67 120.681 8.933 -10.819 1.00 0.00 H new ATOM 1103 N GLY A 68 120.407 7.763 -7.946 1.00 0.00 N ATOM 1104 CA GLY A 68 120.445 8.049 -6.474 1.00 0.00 C ATOM 1105 C GLY A 68 119.030 8.156 -5.913 1.00 0.00 C ATOM 1106 O GLY A 68 118.094 8.491 -6.611 1.00 0.00 O ATOM 0 H GLY A 68 119.762 7.024 -8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 68 120.988 7.257 -5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 68 120.986 8.978 -6.292 1.00 0.00 H new ATOM 1110 N LEU A 69 118.874 7.884 -4.646 1.00 0.00 N ATOM 1111 CA LEU A 69 117.524 7.982 -4.029 1.00 0.00 C ATOM 1112 C LEU A 69 117.002 9.412 -4.168 1.00 0.00 C ATOM 1113 O LEU A 69 115.840 9.633 -4.446 1.00 0.00 O ATOM 1114 CB LEU A 69 117.611 7.609 -2.544 1.00 0.00 C ATOM 1115 CG LEU A 69 116.244 7.804 -1.860 1.00 0.00 C ATOM 1116 CD1 LEU A 69 115.136 7.098 -2.658 1.00 0.00 C ATOM 1117 CD2 LEU A 69 116.296 7.211 -0.446 1.00 0.00 C ATOM 0 H LEU A 69 119.622 7.599 -4.014 1.00 0.00 H new ATOM 0 HA LEU A 69 116.843 7.297 -4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 69 117.932 6.572 -2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 69 118.363 8.226 -2.051 1.00 0.00 H new ATOM 0 HG LEU A 69 116.024 8.871 -1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 69 114.178 7.247 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 69 115.090 7.515 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 69 115.353 6.031 -2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 69 115.331 7.347 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 69 116.526 6.147 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 69 117.069 7.717 0.133 1.00 0.00 H new ATOM 1129 N VAL A 70 117.847 10.391 -3.970 1.00 0.00 N ATOM 1130 CA VAL A 70 117.380 11.799 -4.086 1.00 0.00 C ATOM 1131 C VAL A 70 116.849 12.027 -5.501 1.00 0.00 C ATOM 1132 O VAL A 70 115.839 12.674 -5.692 1.00 0.00 O ATOM 1133 CB VAL A 70 118.543 12.764 -3.808 1.00 0.00 C ATOM 1134 CG1 VAL A 70 118.040 14.215 -3.847 1.00 0.00 C ATOM 1135 CG2 VAL A 70 119.145 12.468 -2.424 1.00 0.00 C ATOM 0 H VAL A 70 118.833 10.275 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 70 116.590 11.984 -3.358 1.00 0.00 H new ATOM 0 HB VAL A 70 119.307 12.627 -4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 70 118.870 14.893 -3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 70 117.623 14.429 -4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 70 117.269 14.353 -3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 70 119.969 13.155 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 70 118.379 12.597 -1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 70 119.514 11.443 -2.399 1.00 0.00 H new ATOM 1145 N ASP A 71 117.509 11.502 -6.497 1.00 0.00 N ATOM 1146 CA ASP A 71 117.003 11.706 -7.882 1.00 0.00 C ATOM 1147 C ASP A 71 115.629 11.049 -8.006 1.00 0.00 C ATOM 1148 O ASP A 71 114.728 11.581 -8.621 1.00 0.00 O ATOM 1149 CB ASP A 71 117.967 11.074 -8.890 1.00 0.00 C ATOM 1150 CG ASP A 71 119.241 11.916 -8.983 1.00 0.00 C ATOM 1151 OD1 ASP A 71 119.193 13.073 -8.601 1.00 0.00 O ATOM 1152 OD2 ASP A 71 120.243 11.390 -9.438 1.00 0.00 O ATOM 0 H ASP A 71 118.363 10.950 -6.414 1.00 0.00 H new ATOM 0 HA ASP A 71 116.926 12.773 -8.090 1.00 0.00 H new ATOM 0 HB2 ASP A 71 118.213 10.057 -8.584 1.00 0.00 H new ATOM 0 HB3 ASP A 71 117.492 11.006 -9.869 1.00 0.00 H new ATOM 1157 N VAL A 72 115.465 9.897 -7.417 1.00 0.00 N ATOM 1158 CA VAL A 72 114.151 9.197 -7.490 1.00 0.00 C ATOM 1159 C VAL A 72 113.059 10.049 -6.833 1.00 0.00 C ATOM 1160 O VAL A 72 112.007 10.262 -7.397 1.00 0.00 O ATOM 1161 CB VAL A 72 114.266 7.857 -6.752 1.00 0.00 C ATOM 1162 CG1 VAL A 72 112.878 7.214 -6.586 1.00 0.00 C ATOM 1163 CG2 VAL A 72 115.180 6.923 -7.551 1.00 0.00 C ATOM 0 H VAL A 72 116.186 9.408 -6.887 1.00 0.00 H new ATOM 0 HA VAL A 72 113.885 9.032 -8.534 1.00 0.00 H new ATOM 0 HB VAL A 72 114.687 8.028 -5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 72 112.977 6.264 -6.061 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.235 7.881 -6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 72 112.437 7.041 -7.568 1.00 0.00 H new ATOM 0 HG21 VAL A 72 115.267 5.968 -7.033 1.00 0.00 H new ATOM 0 HG22 VAL A 72 114.757 6.761 -8.542 1.00 0.00 H new ATOM 0 HG23 VAL A 72 116.167 7.375 -7.647 1.00 0.00 H new ATOM 1173 N ILE A 73 113.295 10.521 -5.640 1.00 0.00 N ATOM 1174 CA ILE A 73 112.260 11.340 -4.946 1.00 0.00 C ATOM 1175 C ILE A 73 111.961 12.609 -5.749 1.00 0.00 C ATOM 1176 O ILE A 73 110.821 12.926 -6.025 1.00 0.00 O ATOM 1177 CB ILE A 73 112.782 11.714 -3.559 1.00 0.00 C ATOM 1178 CG1 ILE A 73 112.949 10.435 -2.735 1.00 0.00 C ATOM 1179 CG2 ILE A 73 111.787 12.649 -2.864 1.00 0.00 C ATOM 1180 CD1 ILE A 73 113.722 10.743 -1.454 1.00 0.00 C ATOM 0 H ILE A 73 114.158 10.376 -5.116 1.00 0.00 H new ATOM 0 HA ILE A 73 111.338 10.765 -4.856 1.00 0.00 H new ATOM 0 HB ILE A 73 113.740 12.225 -3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 73 111.972 10.019 -2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 73 113.479 9.682 -3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 73 112.164 12.912 -1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 73 111.663 13.554 -3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 73 110.825 12.146 -2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 73 113.838 9.830 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 73 114.705 11.139 -1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 73 113.175 11.481 -0.867 1.00 0.00 H new ATOM 1192 N ASN A 74 112.974 13.334 -6.131 1.00 0.00 N ATOM 1193 CA ASN A 74 112.746 14.576 -6.923 1.00 0.00 C ATOM 1194 C ASN A 74 112.034 14.240 -8.238 1.00 0.00 C ATOM 1195 O ASN A 74 111.127 14.931 -8.658 1.00 0.00 O ATOM 1196 CB ASN A 74 114.090 15.244 -7.210 1.00 0.00 C ATOM 1197 CG ASN A 74 113.864 16.512 -8.033 1.00 0.00 C ATOM 1198 OD1 ASN A 74 113.126 16.500 -8.998 1.00 0.00 O ATOM 1199 ND2 ASN A 74 114.468 17.616 -7.689 1.00 0.00 N ATOM 0 H ASN A 74 113.951 13.121 -5.929 1.00 0.00 H new ATOM 0 HA ASN A 74 112.116 15.258 -6.352 1.00 0.00 H new ATOM 0 HB2 ASN A 74 114.593 15.490 -6.275 1.00 0.00 H new ATOM 0 HB3 ASN A 74 114.741 14.558 -7.751 1.00 0.00 H new ATOM 0 HD21 ASN A 74 114.320 18.468 -8.230 1.00 0.00 H new ATOM 0 HD22 ASN A 74 115.088 17.627 -6.879 1.00 0.00 H new ATOM 1206 N LYS A 75 112.443 13.188 -8.894 1.00 0.00 N ATOM 1207 CA LYS A 75 111.804 12.804 -10.188 1.00 0.00 C ATOM 1208 C LYS A 75 110.604 11.889 -9.929 1.00 0.00 C ATOM 1209 O LYS A 75 109.863 11.549 -10.831 1.00 0.00 O ATOM 1210 CB LYS A 75 112.836 12.075 -11.049 1.00 0.00 C ATOM 1211 CG LYS A 75 113.896 13.073 -11.514 1.00 0.00 C ATOM 1212 CD LYS A 75 114.937 12.359 -12.377 1.00 0.00 C ATOM 1213 CE LYS A 75 115.997 13.364 -12.840 1.00 0.00 C ATOM 1214 NZ LYS A 75 117.230 12.634 -13.249 1.00 0.00 N ATOM 0 H LYS A 75 113.197 12.573 -8.588 1.00 0.00 H new ATOM 0 HA LYS A 75 111.455 13.698 -10.705 1.00 0.00 H new ATOM 0 HB2 LYS A 75 113.301 11.271 -10.478 1.00 0.00 H new ATOM 0 HB3 LYS A 75 112.350 11.615 -11.909 1.00 0.00 H new ATOM 0 HG2 LYS A 75 113.428 13.876 -12.083 1.00 0.00 H new ATOM 0 HG3 LYS A 75 114.379 13.533 -10.652 1.00 0.00 H new ATOM 0 HD2 LYS A 75 115.406 11.556 -11.809 1.00 0.00 H new ATOM 0 HD3 LYS A 75 114.455 11.899 -13.240 1.00 0.00 H new ATOM 0 HE2 LYS A 75 115.616 13.952 -13.675 1.00 0.00 H new ATOM 0 HE3 LYS A 75 116.226 14.064 -12.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 117.949 13.316 -13.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 117.597 12.092 -12.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 117.006 11.984 -14.029 1.00 0.00 H new ATOM 1228 N LYS A 76 110.403 11.491 -8.704 1.00 0.00 N ATOM 1229 CA LYS A 76 109.249 10.603 -8.386 1.00 0.00 C ATOM 1230 C LYS A 76 109.292 9.367 -9.294 1.00 0.00 C ATOM 1231 O LYS A 76 108.378 9.104 -10.050 1.00 0.00 O ATOM 1232 CB LYS A 76 107.947 11.379 -8.615 1.00 0.00 C ATOM 1233 CG LYS A 76 106.762 10.604 -8.035 1.00 0.00 C ATOM 1234 CD LYS A 76 105.476 11.404 -8.265 1.00 0.00 C ATOM 1235 CE LYS A 76 104.283 10.640 -7.686 1.00 0.00 C ATOM 1236 NZ LYS A 76 104.402 10.587 -6.201 1.00 0.00 N ATOM 0 H LYS A 76 110.989 11.742 -7.908 1.00 0.00 H new ATOM 0 HA LYS A 76 109.300 10.280 -7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 76 108.013 12.361 -8.147 1.00 0.00 H new ATOM 0 HB3 LYS A 76 107.796 11.544 -9.682 1.00 0.00 H new ATOM 0 HG2 LYS A 76 106.685 9.625 -8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 76 106.911 10.431 -6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 76 105.556 12.384 -7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 76 105.328 11.575 -9.331 1.00 0.00 H new ATOM 0 HE2 LYS A 76 103.351 11.129 -7.970 1.00 0.00 H new ATOM 0 HE3 LYS A 76 104.250 9.630 -8.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 103.474 10.369 -5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 105.083 9.848 -5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 104.732 11.507 -5.846 1.00 0.00 H new ATOM 1250 N LEU A 77 110.356 8.603 -9.217 1.00 0.00 N ATOM 1251 CA LEU A 77 110.481 7.373 -10.062 1.00 0.00 C ATOM 1252 C LEU A 77 110.128 6.147 -9.213 1.00 0.00 C ATOM 1253 O LEU A 77 110.500 5.033 -9.523 1.00 0.00 O ATOM 1254 CB LEU A 77 111.920 7.241 -10.579 1.00 0.00 C ATOM 1255 CG LEU A 77 112.289 8.468 -11.423 1.00 0.00 C ATOM 1256 CD1 LEU A 77 113.782 8.415 -11.763 1.00 0.00 C ATOM 1257 CD2 LEU A 77 111.465 8.490 -12.722 1.00 0.00 C ATOM 0 H LEU A 77 111.149 8.781 -8.600 1.00 0.00 H new ATOM 0 HA LEU A 77 109.802 7.443 -10.912 1.00 0.00 H new ATOM 0 HB2 LEU A 77 112.609 7.146 -9.740 1.00 0.00 H new ATOM 0 HB3 LEU A 77 112.019 6.335 -11.177 1.00 0.00 H new ATOM 0 HG LEU A 77 112.070 9.372 -10.854 1.00 0.00 H new ATOM 0 HD11 LEU A 77 114.050 9.285 -12.363 1.00 0.00 H new ATOM 0 HD12 LEU A 77 114.365 8.416 -10.842 1.00 0.00 H new ATOM 0 HD13 LEU A 77 113.995 7.506 -12.326 1.00 0.00 H new ATOM 0 HD21 LEU A 77 111.737 9.366 -13.311 1.00 0.00 H new ATOM 0 HD22 LEU A 77 111.670 7.588 -13.298 1.00 0.00 H new ATOM 0 HD23 LEU A 77 110.403 8.532 -12.479 1.00 0.00 H new ATOM 1269 N TRP A 78 109.417 6.353 -8.138 1.00 0.00 N ATOM 1270 CA TRP A 78 109.036 5.216 -7.247 1.00 0.00 C ATOM 1271 C TRP A 78 108.203 4.198 -8.033 1.00 0.00 C ATOM 1272 O TRP A 78 108.333 3.006 -7.852 1.00 0.00 O ATOM 1273 CB TRP A 78 108.185 5.746 -6.084 1.00 0.00 C ATOM 1274 CG TRP A 78 109.054 6.409 -5.065 1.00 0.00 C ATOM 1275 CD1 TRP A 78 109.039 7.732 -4.782 1.00 0.00 C ATOM 1276 CD2 TRP A 78 110.054 5.814 -4.188 1.00 0.00 C ATOM 1277 NE1 TRP A 78 109.961 7.985 -3.785 1.00 0.00 N ATOM 1278 CE2 TRP A 78 110.613 6.837 -3.387 1.00 0.00 C ATOM 1279 CE3 TRP A 78 110.525 4.500 -4.011 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 111.602 6.567 -2.443 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 111.524 4.225 -3.061 1.00 0.00 C ATOM 1282 CH2 TRP A 78 112.061 5.259 -2.278 1.00 0.00 C ATOM 0 H TRP A 78 109.080 7.267 -7.835 1.00 0.00 H new ATOM 0 HA TRP A 78 109.941 4.741 -6.869 1.00 0.00 H new ATOM 0 HB2 TRP A 78 107.446 6.455 -6.458 1.00 0.00 H new ATOM 0 HB3 TRP A 78 107.635 4.925 -5.624 1.00 0.00 H new ATOM 0 HD1 TRP A 78 108.409 8.469 -5.258 1.00 0.00 H new ATOM 0 HE1 TRP A 78 110.138 8.909 -3.391 1.00 0.00 H new ATOM 0 HE3 TRP A 78 110.117 3.698 -4.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 112.011 7.366 -1.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 111.880 3.213 -2.933 1.00 0.00 H new ATOM 0 HH2 TRP A 78 112.828 5.043 -1.549 1.00 0.00 H new ATOM 1293 N GLN A 79 107.331 4.665 -8.879 1.00 0.00 N ATOM 1294 CA GLN A 79 106.454 3.739 -9.652 1.00 0.00 C ATOM 1295 C GLN A 79 107.301 2.721 -10.422 1.00 0.00 C ATOM 1296 O GLN A 79 106.952 1.563 -10.518 1.00 0.00 O ATOM 1297 CB GLN A 79 105.612 4.560 -10.631 1.00 0.00 C ATOM 1298 CG GLN A 79 104.661 3.641 -11.397 1.00 0.00 C ATOM 1299 CD GLN A 79 103.763 4.489 -12.300 1.00 0.00 C ATOM 1300 OE1 GLN A 79 103.795 4.356 -13.507 1.00 0.00 O ATOM 1301 NE2 GLN A 79 102.963 5.368 -11.761 1.00 0.00 N ATOM 0 H GLN A 79 107.185 5.656 -9.071 1.00 0.00 H new ATOM 0 HA GLN A 79 105.804 3.197 -8.965 1.00 0.00 H new ATOM 0 HB2 GLN A 79 105.044 5.316 -10.090 1.00 0.00 H new ATOM 0 HB3 GLN A 79 106.262 5.088 -11.329 1.00 0.00 H new ATOM 0 HG2 GLN A 79 105.228 2.927 -11.994 1.00 0.00 H new ATOM 0 HG3 GLN A 79 104.054 3.063 -10.700 1.00 0.00 H new ATOM 0 HE21 GLN A 79 102.936 5.479 -10.747 1.00 0.00 H new ATOM 0 HE22 GLN A 79 102.364 5.944 -12.353 1.00 0.00 H new ATOM 1310 N GLU A 80 108.403 3.136 -10.971 1.00 0.00 N ATOM 1311 CA GLU A 80 109.259 2.181 -11.731 1.00 0.00 C ATOM 1312 C GLU A 80 109.712 1.041 -10.806 1.00 0.00 C ATOM 1313 O GLU A 80 109.839 -0.092 -11.225 1.00 0.00 O ATOM 1314 CB GLU A 80 110.477 2.924 -12.292 1.00 0.00 C ATOM 1315 CG GLU A 80 110.031 3.876 -13.410 1.00 0.00 C ATOM 1316 CD GLU A 80 109.322 5.089 -12.803 1.00 0.00 C ATOM 1317 OE1 GLU A 80 109.373 5.238 -11.595 1.00 0.00 O ATOM 1318 OE2 GLU A 80 108.741 5.851 -13.558 1.00 0.00 O ATOM 0 H GLU A 80 108.751 4.094 -10.929 1.00 0.00 H new ATOM 0 HA GLU A 80 108.688 1.757 -12.557 1.00 0.00 H new ATOM 0 HB2 GLU A 80 110.970 3.485 -11.498 1.00 0.00 H new ATOM 0 HB3 GLU A 80 111.205 2.210 -12.678 1.00 0.00 H new ATOM 0 HG2 GLU A 80 110.895 4.200 -13.991 1.00 0.00 H new ATOM 0 HG3 GLU A 80 109.362 3.358 -14.097 1.00 0.00 H new ATOM 1325 N ILE A 81 109.958 1.330 -9.554 1.00 0.00 N ATOM 1326 CA ILE A 81 110.402 0.258 -8.608 1.00 0.00 C ATOM 1327 C ILE A 81 109.244 -0.731 -8.354 1.00 0.00 C ATOM 1328 O ILE A 81 109.324 -1.908 -8.680 1.00 0.00 O ATOM 1329 CB ILE A 81 110.828 0.925 -7.281 1.00 0.00 C ATOM 1330 CG1 ILE A 81 112.249 1.503 -7.415 1.00 0.00 C ATOM 1331 CG2 ILE A 81 110.795 -0.087 -6.129 1.00 0.00 C ATOM 1332 CD1 ILE A 81 112.481 2.559 -6.333 1.00 0.00 C ATOM 0 H ILE A 81 109.871 2.260 -9.145 1.00 0.00 H new ATOM 0 HA ILE A 81 111.240 -0.293 -9.034 1.00 0.00 H new ATOM 0 HB ILE A 81 110.126 1.729 -7.062 1.00 0.00 H new ATOM 0 HG12 ILE A 81 112.986 0.706 -7.322 1.00 0.00 H new ATOM 0 HG13 ILE A 81 112.380 1.945 -8.402 1.00 0.00 H new ATOM 0 HG21 ILE A 81 111.099 0.404 -5.204 1.00 0.00 H new ATOM 0 HG22 ILE A 81 109.784 -0.478 -6.017 1.00 0.00 H new ATOM 0 HG23 ILE A 81 111.479 -0.907 -6.346 1.00 0.00 H new ATOM 0 HD11 ILE A 81 113.488 2.966 -6.431 1.00 0.00 H new ATOM 0 HD12 ILE A 81 111.753 3.362 -6.446 1.00 0.00 H new ATOM 0 HD13 ILE A 81 112.368 2.103 -5.349 1.00 0.00 H new ATOM 1344 N ILE A 82 108.178 -0.263 -7.762 1.00 0.00 N ATOM 1345 CA ILE A 82 107.030 -1.164 -7.467 1.00 0.00 C ATOM 1346 C ILE A 82 106.473 -1.739 -8.764 1.00 0.00 C ATOM 1347 O ILE A 82 106.129 -2.902 -8.840 1.00 0.00 O ATOM 1348 CB ILE A 82 105.945 -0.381 -6.722 1.00 0.00 C ATOM 1349 CG1 ILE A 82 105.782 0.998 -7.357 1.00 0.00 C ATOM 1350 CG2 ILE A 82 106.367 -0.206 -5.264 1.00 0.00 C ATOM 1351 CD1 ILE A 82 104.538 1.679 -6.789 1.00 0.00 C ATOM 0 H ILE A 82 108.054 0.706 -7.470 1.00 0.00 H new ATOM 0 HA ILE A 82 107.368 -1.989 -6.839 1.00 0.00 H new ATOM 0 HB ILE A 82 105.002 -0.925 -6.778 1.00 0.00 H new ATOM 0 HG12 ILE A 82 106.664 1.607 -7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 82 105.695 0.903 -8.439 1.00 0.00 H new ATOM 0 HG21 ILE A 82 105.599 0.351 -4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 82 106.495 -1.185 -4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 82 107.309 0.341 -5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 82 104.423 2.663 -7.243 1.00 0.00 H new ATOM 0 HD12 ILE A 82 103.659 1.073 -7.009 1.00 0.00 H new ATOM 0 HD13 ILE A 82 104.643 1.787 -5.710 1.00 0.00 H new ATOM 1537 N ALA A 95 105.022 1.732 -2.682 1.00 0.00 N ATOM 1538 CA ALA A 95 105.996 2.855 -2.809 1.00 0.00 C ATOM 1539 C ALA A 95 106.071 3.617 -1.482 1.00 0.00 C ATOM 1540 O ALA A 95 107.139 3.925 -0.994 1.00 0.00 O ATOM 1541 CB ALA A 95 105.542 3.808 -3.920 1.00 0.00 C ATOM 0 HA ALA A 95 106.979 2.455 -3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 95 106.255 4.627 -4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 95 105.489 3.267 -4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 95 104.558 4.209 -3.676 1.00 0.00 H new ATOM 1547 N PHE A 96 104.947 3.918 -0.894 1.00 0.00 N ATOM 1548 CA PHE A 96 104.956 4.656 0.403 1.00 0.00 C ATOM 1549 C PHE A 96 105.710 3.845 1.462 1.00 0.00 C ATOM 1550 O PHE A 96 106.498 4.373 2.221 1.00 0.00 O ATOM 1551 CB PHE A 96 103.514 4.894 0.858 1.00 0.00 C ATOM 1552 CG PHE A 96 103.512 5.622 2.180 1.00 0.00 C ATOM 1553 CD1 PHE A 96 103.516 7.022 2.213 1.00 0.00 C ATOM 1554 CD2 PHE A 96 103.495 4.893 3.375 1.00 0.00 C ATOM 1555 CE1 PHE A 96 103.506 7.691 3.443 1.00 0.00 C ATOM 1556 CE2 PHE A 96 103.485 5.562 4.603 1.00 0.00 C ATOM 1557 CZ PHE A 96 103.490 6.961 4.638 1.00 0.00 C ATOM 0 H PHE A 96 104.022 3.685 -1.254 1.00 0.00 H new ATOM 0 HA PHE A 96 105.459 5.614 0.271 1.00 0.00 H new ATOM 0 HB2 PHE A 96 102.978 5.478 0.110 1.00 0.00 H new ATOM 0 HB3 PHE A 96 102.991 3.942 0.955 1.00 0.00 H new ATOM 0 HD1 PHE A 96 103.527 7.585 1.291 1.00 0.00 H new ATOM 0 HD2 PHE A 96 103.490 3.813 3.349 1.00 0.00 H new ATOM 0 HE1 PHE A 96 103.511 8.771 3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 96 103.473 4.999 5.525 1.00 0.00 H new ATOM 0 HZ PHE A 96 103.482 7.478 5.586 1.00 0.00 H new ATOM 1567 N THR A 97 105.477 2.566 1.529 1.00 0.00 N ATOM 1568 CA THR A 97 106.194 1.742 2.541 1.00 0.00 C ATOM 1569 C THR A 97 107.685 1.661 2.199 1.00 0.00 C ATOM 1570 O THR A 97 108.529 1.700 3.066 1.00 0.00 O ATOM 1571 CB THR A 97 105.610 0.330 2.561 1.00 0.00 C ATOM 1572 OG1 THR A 97 104.235 0.389 2.914 1.00 0.00 O ATOM 1573 CG2 THR A 97 106.375 -0.522 3.577 1.00 0.00 C ATOM 0 H THR A 97 104.826 2.057 0.931 1.00 0.00 H new ATOM 0 HA THR A 97 106.073 2.208 3.519 1.00 0.00 H new ATOM 0 HB THR A 97 105.704 -0.120 1.573 1.00 0.00 H new ATOM 0 HG1 THR A 97 103.861 -0.517 2.925 1.00 0.00 H new ATOM 0 HG21 THR A 97 105.960 -1.530 3.593 1.00 0.00 H new ATOM 0 HG22 THR A 97 107.427 -0.567 3.295 1.00 0.00 H new ATOM 0 HG23 THR A 97 106.284 -0.076 4.568 1.00 0.00 H new ATOM 1581 N LEU A 98 108.009 1.525 0.944 1.00 0.00 N ATOM 1582 CA LEU A 98 109.445 1.413 0.539 1.00 0.00 C ATOM 1583 C LEU A 98 110.234 2.680 0.895 1.00 0.00 C ATOM 1584 O LEU A 98 111.315 2.610 1.445 1.00 0.00 O ATOM 1585 CB LEU A 98 109.514 1.188 -0.974 1.00 0.00 C ATOM 1586 CG LEU A 98 109.017 -0.228 -1.323 1.00 0.00 C ATOM 1587 CD1 LEU A 98 108.643 -0.285 -2.808 1.00 0.00 C ATOM 1588 CD2 LEU A 98 110.115 -1.270 -1.034 1.00 0.00 C ATOM 0 H LEU A 98 107.340 1.486 0.175 1.00 0.00 H new ATOM 0 HA LEU A 98 109.890 0.576 1.078 1.00 0.00 H new ATOM 0 HB2 LEU A 98 108.906 1.932 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 98 110.539 1.318 -1.322 1.00 0.00 H new ATOM 0 HG LEU A 98 108.144 -0.455 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 98 108.291 -1.286 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 98 107.853 0.438 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 98 109.518 -0.047 -3.413 1.00 0.00 H new ATOM 0 HD21 LEU A 98 109.748 -2.265 -1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 98 110.997 -1.046 -1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 98 110.378 -1.237 0.023 1.00 0.00 H new ATOM 1600 N ARG A 99 109.730 3.832 0.554 1.00 0.00 N ATOM 1601 CA ARG A 99 110.483 5.089 0.844 1.00 0.00 C ATOM 1602 C ARG A 99 110.738 5.267 2.349 1.00 0.00 C ATOM 1603 O ARG A 99 111.781 5.749 2.744 1.00 0.00 O ATOM 1604 CB ARG A 99 109.707 6.295 0.300 1.00 0.00 C ATOM 1605 CG ARG A 99 108.315 6.347 0.924 1.00 0.00 C ATOM 1606 CD ARG A 99 107.555 7.558 0.383 1.00 0.00 C ATOM 1607 NE ARG A 99 107.171 7.309 -1.034 1.00 0.00 N ATOM 1608 CZ ARG A 99 106.252 8.043 -1.597 1.00 0.00 C ATOM 1609 NH1 ARG A 99 106.535 9.255 -1.988 1.00 0.00 N ATOM 1610 NH2 ARG A 99 105.050 7.565 -1.767 1.00 0.00 N ATOM 0 H ARG A 99 108.832 3.960 0.088 1.00 0.00 H new ATOM 0 HA ARG A 99 111.452 5.019 0.350 1.00 0.00 H new ATOM 0 HB2 ARG A 99 110.248 7.215 0.521 1.00 0.00 H new ATOM 0 HB3 ARG A 99 109.626 6.226 -0.785 1.00 0.00 H new ATOM 0 HG2 ARG A 99 107.769 5.431 0.697 1.00 0.00 H new ATOM 0 HG3 ARG A 99 108.394 6.410 2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 99 106.665 7.742 0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 99 108.176 8.451 0.451 1.00 0.00 H new ATOM 0 HE ARG A 99 107.626 6.565 -1.563 1.00 0.00 H new ATOM 0 HH11 ARG A 99 107.475 9.628 -1.853 1.00 0.00 H new ATOM 0 HH12 ARG A 99 105.817 9.830 -2.428 1.00 0.00 H new ATOM 0 HH21 ARG A 99 104.830 6.618 -1.460 1.00 0.00 H new ATOM 0 HH22 ARG A 99 104.331 8.139 -2.207 1.00 0.00 H new ATOM 1624 N THR A 100 109.800 4.927 3.194 1.00 0.00 N ATOM 1625 CA THR A 100 110.023 5.137 4.657 1.00 0.00 C ATOM 1626 C THR A 100 111.036 4.123 5.223 1.00 0.00 C ATOM 1627 O THR A 100 111.921 4.484 5.974 1.00 0.00 O ATOM 1628 CB THR A 100 108.674 5.051 5.404 1.00 0.00 C ATOM 1629 OG1 THR A 100 108.717 5.902 6.541 1.00 0.00 O ATOM 1630 CG2 THR A 100 108.371 3.617 5.857 1.00 0.00 C ATOM 0 H THR A 100 108.901 4.518 2.940 1.00 0.00 H new ATOM 0 HA THR A 100 110.448 6.130 4.806 1.00 0.00 H new ATOM 0 HB THR A 100 107.885 5.364 4.720 1.00 0.00 H new ATOM 0 HG1 THR A 100 107.863 5.853 7.019 1.00 0.00 H new ATOM 0 HG21 THR A 100 107.414 3.595 6.379 1.00 0.00 H new ATOM 0 HG22 THR A 100 108.325 2.963 4.987 1.00 0.00 H new ATOM 0 HG23 THR A 100 109.158 3.273 6.528 1.00 0.00 H new ATOM 1638 N GLN A 101 110.915 2.864 4.891 1.00 0.00 N ATOM 1639 CA GLN A 101 111.879 1.866 5.444 1.00 0.00 C ATOM 1640 C GLN A 101 113.282 2.141 4.899 1.00 0.00 C ATOM 1641 O GLN A 101 114.264 1.997 5.599 1.00 0.00 O ATOM 1642 CB GLN A 101 111.440 0.445 5.076 1.00 0.00 C ATOM 1643 CG GLN A 101 111.346 0.298 3.557 1.00 0.00 C ATOM 1644 CD GLN A 101 110.673 -1.034 3.220 1.00 0.00 C ATOM 1645 OE1 GLN A 101 109.732 -1.433 3.876 1.00 0.00 O ATOM 1646 NE2 GLN A 101 111.116 -1.741 2.216 1.00 0.00 N ATOM 0 H GLN A 101 110.200 2.487 4.269 1.00 0.00 H new ATOM 0 HA GLN A 101 111.896 1.955 6.530 1.00 0.00 H new ATOM 0 HB2 GLN A 101 112.151 -0.278 5.475 1.00 0.00 H new ATOM 0 HB3 GLN A 101 110.474 0.226 5.530 1.00 0.00 H new ATOM 0 HG2 GLN A 101 110.775 1.125 3.135 1.00 0.00 H new ATOM 0 HG3 GLN A 101 112.341 0.339 3.114 1.00 0.00 H new ATOM 0 HE21 GLN A 101 111.906 -1.405 1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 101 110.672 -2.629 1.982 1.00 0.00 H new ATOM 1655 N TYR A 102 113.390 2.545 3.664 1.00 0.00 N ATOM 1656 CA TYR A 102 114.738 2.834 3.102 1.00 0.00 C ATOM 1657 C TYR A 102 115.386 3.940 3.931 1.00 0.00 C ATOM 1658 O TYR A 102 116.511 3.831 4.374 1.00 0.00 O ATOM 1659 CB TYR A 102 114.594 3.318 1.657 1.00 0.00 C ATOM 1660 CG TYR A 102 115.956 3.405 1.003 1.00 0.00 C ATOM 1661 CD1 TYR A 102 116.822 4.463 1.310 1.00 0.00 C ATOM 1662 CD2 TYR A 102 116.351 2.427 0.084 1.00 0.00 C ATOM 1663 CE1 TYR A 102 118.078 4.537 0.696 1.00 0.00 C ATOM 1664 CE2 TYR A 102 117.605 2.502 -0.527 1.00 0.00 C ATOM 1665 CZ TYR A 102 118.470 3.558 -0.221 1.00 0.00 C ATOM 1666 OH TYR A 102 119.707 3.635 -0.825 1.00 0.00 O ATOM 0 H TYR A 102 112.609 2.687 3.024 1.00 0.00 H new ATOM 0 HA TYR A 102 115.350 1.933 3.127 1.00 0.00 H new ATOM 0 HB2 TYR A 102 113.956 2.634 1.098 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.109 4.294 1.638 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.521 5.220 2.019 1.00 0.00 H new ATOM 0 HD2 TYR A 102 115.684 1.611 -0.154 1.00 0.00 H new ATOM 0 HE1 TYR A 102 118.746 5.353 0.932 1.00 0.00 H new ATOM 0 HE2 TYR A 102 117.907 1.745 -1.236 1.00 0.00 H new ATOM 0 HH TYR A 102 120.238 2.848 -0.584 1.00 0.00 H new ATOM 1676 N MET A 103 114.678 5.009 4.148 1.00 0.00 N ATOM 1677 CA MET A 103 115.246 6.124 4.947 1.00 0.00 C ATOM 1678 C MET A 103 115.516 5.659 6.375 1.00 0.00 C ATOM 1679 O MET A 103 116.394 6.165 7.044 1.00 0.00 O ATOM 1680 CB MET A 103 114.274 7.308 4.956 1.00 0.00 C ATOM 1681 CG MET A 103 114.255 7.962 3.570 1.00 0.00 C ATOM 1682 SD MET A 103 113.107 9.363 3.574 1.00 0.00 S ATOM 1683 CE MET A 103 113.375 9.884 1.860 1.00 0.00 C ATOM 0 H MET A 103 113.729 5.159 3.806 1.00 0.00 H new ATOM 0 HA MET A 103 116.186 6.441 4.495 1.00 0.00 H new ATOM 0 HB2 MET A 103 113.273 6.969 5.224 1.00 0.00 H new ATOM 0 HB3 MET A 103 114.577 8.035 5.709 1.00 0.00 H new ATOM 0 HG2 MET A 103 115.256 8.300 3.303 1.00 0.00 H new ATOM 0 HG3 MET A 103 113.953 7.234 2.817 1.00 0.00 H new ATOM 0 HE1 MET A 103 112.880 10.840 1.689 1.00 0.00 H new ATOM 0 HE2 MET A 103 114.444 9.991 1.675 1.00 0.00 H new ATOM 0 HE3 MET A 103 112.963 9.135 1.183 1.00 0.00 H new ATOM 1693 N LYS A 104 114.752 4.726 6.864 1.00 0.00 N ATOM 1694 CA LYS A 104 114.957 4.269 8.259 1.00 0.00 C ATOM 1695 C LYS A 104 116.373 3.699 8.466 1.00 0.00 C ATOM 1696 O LYS A 104 116.988 3.956 9.481 1.00 0.00 O ATOM 1697 CB LYS A 104 113.918 3.197 8.586 1.00 0.00 C ATOM 1698 CG LYS A 104 113.807 3.016 10.106 1.00 0.00 C ATOM 1699 CD LYS A 104 113.157 4.258 10.755 1.00 0.00 C ATOM 1700 CE LYS A 104 112.456 3.853 12.050 1.00 0.00 C ATOM 1701 NZ LYS A 104 111.849 5.056 12.688 1.00 0.00 N ATOM 0 H LYS A 104 113.997 4.263 6.358 1.00 0.00 H new ATOM 0 HA LYS A 104 114.844 5.125 8.924 1.00 0.00 H new ATOM 0 HB2 LYS A 104 112.950 3.481 8.174 1.00 0.00 H new ATOM 0 HB3 LYS A 104 114.199 2.253 8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 104 113.214 2.129 10.330 1.00 0.00 H new ATOM 0 HG3 LYS A 104 114.797 2.853 10.532 1.00 0.00 H new ATOM 0 HD2 LYS A 104 113.916 5.012 10.961 1.00 0.00 H new ATOM 0 HD3 LYS A 104 112.441 4.707 10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 104 111.685 3.112 11.841 1.00 0.00 H new ATOM 0 HE3 LYS A 104 113.169 3.388 12.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 111.372 4.778 13.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 112.594 5.749 12.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 111.156 5.481 12.039 1.00 0.00 H new ATOM 1715 N TYR A 105 116.894 2.908 7.543 1.00 0.00 N ATOM 1716 CA TYR A 105 118.267 2.318 7.757 1.00 0.00 C ATOM 1717 C TYR A 105 119.140 2.367 6.491 1.00 0.00 C ATOM 1718 O TYR A 105 120.297 2.001 6.548 1.00 0.00 O ATOM 1719 CB TYR A 105 118.131 0.843 8.142 1.00 0.00 C ATOM 1720 CG TYR A 105 117.296 0.687 9.385 1.00 0.00 C ATOM 1721 CD1 TYR A 105 117.886 0.815 10.646 1.00 0.00 C ATOM 1722 CD2 TYR A 105 115.932 0.392 9.276 1.00 0.00 C ATOM 1723 CE1 TYR A 105 117.109 0.654 11.797 1.00 0.00 C ATOM 1724 CE2 TYR A 105 115.156 0.228 10.428 1.00 0.00 C ATOM 1725 CZ TYR A 105 115.744 0.359 11.689 1.00 0.00 C ATOM 1726 OH TYR A 105 114.982 0.196 12.829 1.00 0.00 O ATOM 0 H TYR A 105 116.438 2.650 6.668 1.00 0.00 H new ATOM 0 HA TYR A 105 118.740 2.912 8.539 1.00 0.00 H new ATOM 0 HB2 TYR A 105 117.675 0.289 7.321 1.00 0.00 H new ATOM 0 HB3 TYR A 105 119.119 0.413 8.307 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.939 1.038 10.731 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.478 0.291 8.301 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.562 0.757 12.772 1.00 0.00 H new ATOM 0 HE2 TYR A 105 114.104 0.000 10.343 1.00 0.00 H new ATOM 0 HH TYR A 105 114.056 -0.003 12.578 1.00 0.00 H new ATOM 1736 N LEU A 106 118.619 2.758 5.346 1.00 0.00 N ATOM 1737 CA LEU A 106 119.471 2.749 4.098 1.00 0.00 C ATOM 1738 C LEU A 106 119.891 4.162 3.664 1.00 0.00 C ATOM 1739 O LEU A 106 120.812 4.308 2.886 1.00 0.00 O ATOM 1740 CB LEU A 106 118.694 2.069 2.955 1.00 0.00 C ATOM 1741 CG LEU A 106 118.724 0.536 3.130 1.00 0.00 C ATOM 1742 CD1 LEU A 106 117.605 -0.095 2.292 1.00 0.00 C ATOM 1743 CD2 LEU A 106 120.085 -0.035 2.674 1.00 0.00 C ATOM 0 H LEU A 106 117.659 3.078 5.218 1.00 0.00 H new ATOM 0 HA LEU A 106 120.382 2.195 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 106 117.663 2.421 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 106 119.132 2.342 1.995 1.00 0.00 H new ATOM 0 HG LEU A 106 118.578 0.302 4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 106 117.625 -1.178 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 106 116.641 0.290 2.624 1.00 0.00 H new ATOM 0 HD13 LEU A 106 117.753 0.154 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 106 120.088 -1.117 2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 106 120.246 0.204 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 106 120.883 0.405 3.272 1.00 0.00 H new ATOM 1755 N TYR A 107 119.263 5.207 4.136 1.00 0.00 N ATOM 1756 CA TYR A 107 119.719 6.559 3.689 1.00 0.00 C ATOM 1757 C TYR A 107 121.105 6.879 4.281 1.00 0.00 C ATOM 1758 O TYR A 107 121.918 7.490 3.615 1.00 0.00 O ATOM 1759 CB TYR A 107 118.696 7.653 4.046 1.00 0.00 C ATOM 1760 CG TYR A 107 119.304 9.014 3.802 1.00 0.00 C ATOM 1761 CD1 TYR A 107 120.043 9.644 4.809 1.00 0.00 C ATOM 1762 CD2 TYR A 107 119.130 9.642 2.563 1.00 0.00 C ATOM 1763 CE1 TYR A 107 120.607 10.904 4.578 1.00 0.00 C ATOM 1764 CE2 TYR A 107 119.693 10.901 2.332 1.00 0.00 C ATOM 1765 CZ TYR A 107 120.432 11.532 3.338 1.00 0.00 C ATOM 1766 OH TYR A 107 120.988 12.774 3.109 1.00 0.00 O ATOM 0 H TYR A 107 118.480 5.189 4.790 1.00 0.00 H new ATOM 0 HA TYR A 107 119.802 6.542 2.602 1.00 0.00 H new ATOM 0 HB2 TYR A 107 117.795 7.533 3.444 1.00 0.00 H new ATOM 0 HB3 TYR A 107 118.397 7.559 5.090 1.00 0.00 H new ATOM 0 HD1 TYR A 107 120.178 9.158 5.764 1.00 0.00 H new ATOM 0 HD2 TYR A 107 118.561 9.154 1.786 1.00 0.00 H new ATOM 0 HE1 TYR A 107 121.177 11.392 5.355 1.00 0.00 H new ATOM 0 HE2 TYR A 107 119.557 11.386 1.377 1.00 0.00 H new ATOM 0 HH TYR A 107 120.772 13.066 2.199 1.00 0.00 H new ATOM 1776 N PRO A 108 121.412 6.472 5.501 1.00 0.00 N ATOM 1777 CA PRO A 108 122.756 6.759 6.065 1.00 0.00 C ATOM 1778 C PRO A 108 123.813 5.865 5.404 1.00 0.00 C ATOM 1779 O PRO A 108 124.919 6.282 5.123 1.00 0.00 O ATOM 1780 CB PRO A 108 122.575 6.417 7.561 1.00 0.00 C ATOM 1781 CG PRO A 108 121.125 5.936 7.775 1.00 0.00 C ATOM 1782 CD PRO A 108 120.486 5.719 6.393 1.00 0.00 C ATOM 0 HA PRO A 108 123.097 7.782 5.903 1.00 0.00 H new ATOM 0 HB2 PRO A 108 123.280 5.642 7.862 1.00 0.00 H new ATOM 0 HB3 PRO A 108 122.780 7.292 8.178 1.00 0.00 H new ATOM 0 HG2 PRO A 108 121.112 5.010 8.350 1.00 0.00 H new ATOM 0 HG3 PRO A 108 120.559 6.673 8.345 1.00 0.00 H new ATOM 0 HD2 PRO A 108 120.434 4.663 6.129 1.00 0.00 H new ATOM 0 HD3 PRO A 108 119.469 6.109 6.348 1.00 0.00 H new ATOM 1790 N TYR A 109 123.459 4.633 5.160 1.00 0.00 N ATOM 1791 CA TYR A 109 124.407 3.683 4.521 1.00 0.00 C ATOM 1792 C TYR A 109 124.662 4.110 3.071 1.00 0.00 C ATOM 1793 O TYR A 109 125.778 4.077 2.590 1.00 0.00 O ATOM 1794 CB TYR A 109 123.784 2.285 4.549 1.00 0.00 C ATOM 1795 CG TYR A 109 124.845 1.246 4.288 1.00 0.00 C ATOM 1796 CD1 TYR A 109 125.833 1.011 5.250 1.00 0.00 C ATOM 1797 CD2 TYR A 109 124.837 0.509 3.096 1.00 0.00 C ATOM 1798 CE1 TYR A 109 126.816 0.046 5.022 1.00 0.00 C ATOM 1799 CE2 TYR A 109 125.820 -0.457 2.867 1.00 0.00 C ATOM 1800 CZ TYR A 109 126.811 -0.689 3.828 1.00 0.00 C ATOM 1801 OH TYR A 109 127.780 -1.641 3.598 1.00 0.00 O ATOM 0 H TYR A 109 122.543 4.242 5.379 1.00 0.00 H new ATOM 0 HA TYR A 109 125.355 3.678 5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.316 2.105 5.517 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.998 2.212 3.797 1.00 0.00 H new ATOM 0 HD1 TYR A 109 125.835 1.577 6.170 1.00 0.00 H new ATOM 0 HD2 TYR A 109 124.072 0.688 2.355 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.579 -0.134 5.764 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.815 -1.025 1.948 1.00 0.00 H new ATOM 0 HH TYR A 109 127.629 -2.057 2.724 1.00 0.00 H new ATOM 1811 N GLU A 110 123.635 4.516 2.372 1.00 0.00 N ATOM 1812 CA GLU A 110 123.816 4.950 0.958 1.00 0.00 C ATOM 1813 C GLU A 110 124.788 6.127 0.898 1.00 0.00 C ATOM 1814 O GLU A 110 125.727 6.131 0.128 1.00 0.00 O ATOM 1815 CB GLU A 110 122.464 5.380 0.387 1.00 0.00 C ATOM 1816 CG GLU A 110 122.639 5.833 -1.064 1.00 0.00 C ATOM 1817 CD GLU A 110 121.262 6.036 -1.701 1.00 0.00 C ATOM 1818 OE1 GLU A 110 120.297 6.123 -0.960 1.00 0.00 O ATOM 1819 OE2 GLU A 110 121.198 6.109 -2.916 1.00 0.00 O ATOM 0 H GLU A 110 122.678 4.565 2.721 1.00 0.00 H new ATOM 0 HA GLU A 110 124.218 4.122 0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 110 121.757 4.552 0.437 1.00 0.00 H new ATOM 0 HB3 GLU A 110 122.047 6.191 0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 110 123.210 6.761 -1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 110 123.205 5.088 -1.624 1.00 0.00 H new ATOM 1826 N CYS A 111 124.565 7.130 1.701 1.00 0.00 N ATOM 1827 CA CYS A 111 125.471 8.309 1.685 1.00 0.00 C ATOM 1828 C CYS A 111 126.851 7.913 2.217 1.00 0.00 C ATOM 1829 O CYS A 111 127.849 8.527 1.901 1.00 0.00 O ATOM 1830 CB CYS A 111 124.886 9.417 2.564 1.00 0.00 C ATOM 1831 SG CYS A 111 124.842 8.863 4.287 1.00 0.00 S ATOM 0 H CYS A 111 123.794 7.183 2.367 1.00 0.00 H new ATOM 0 HA CYS A 111 125.570 8.669 0.661 1.00 0.00 H new ATOM 0 HB2 CYS A 111 125.489 10.321 2.477 1.00 0.00 H new ATOM 0 HB3 CYS A 111 123.881 9.671 2.227 1.00 0.00 H new ATOM 0 HG CYS A 111 125.022 7.576 4.334 1.00 0.00 H new ATOM 1837 N GLU A 112 126.919 6.903 3.033 1.00 0.00 N ATOM 1838 CA GLU A 112 128.240 6.499 3.585 1.00 0.00 C ATOM 1839 C GLU A 112 129.133 5.963 2.462 1.00 0.00 C ATOM 1840 O GLU A 112 130.258 6.390 2.295 1.00 0.00 O ATOM 1841 CB GLU A 112 128.030 5.405 4.638 1.00 0.00 C ATOM 1842 CG GLU A 112 129.373 5.023 5.269 1.00 0.00 C ATOM 1843 CD GLU A 112 129.150 3.934 6.320 1.00 0.00 C ATOM 1844 OE1 GLU A 112 128.003 3.677 6.641 1.00 0.00 O ATOM 1845 OE2 GLU A 112 130.131 3.381 6.788 1.00 0.00 O ATOM 0 H GLU A 112 126.124 6.342 3.341 1.00 0.00 H new ATOM 0 HA GLU A 112 128.722 7.364 4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 112 127.343 5.757 5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 112 127.572 4.529 4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 112 130.060 4.667 4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 112 129.833 5.898 5.728 1.00 0.00 H new ATOM 1852 N LYS A 113 128.650 5.016 1.708 1.00 0.00 N ATOM 1853 CA LYS A 113 129.479 4.433 0.614 1.00 0.00 C ATOM 1854 C LYS A 113 129.674 5.417 -0.551 1.00 0.00 C ATOM 1855 O LYS A 113 130.739 5.468 -1.132 1.00 0.00 O ATOM 1856 CB LYS A 113 128.797 3.167 0.087 1.00 0.00 C ATOM 1857 CG LYS A 113 128.813 2.061 1.156 1.00 0.00 C ATOM 1858 CD LYS A 113 130.227 1.467 1.310 1.00 0.00 C ATOM 1859 CE LYS A 113 130.141 0.094 1.989 1.00 0.00 C ATOM 1860 NZ LYS A 113 131.485 -0.549 1.977 1.00 0.00 N ATOM 0 H LYS A 113 127.715 4.619 1.801 1.00 0.00 H new ATOM 0 HA LYS A 113 130.461 4.203 1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 113 127.769 3.392 -0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 113 129.307 2.820 -0.812 1.00 0.00 H new ATOM 0 HG2 LYS A 113 128.479 2.467 2.111 1.00 0.00 H new ATOM 0 HG3 LYS A 113 128.111 1.274 0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 113 130.700 1.371 0.333 1.00 0.00 H new ATOM 0 HD3 LYS A 113 130.851 2.137 1.901 1.00 0.00 H new ATOM 0 HE2 LYS A 113 129.788 0.205 3.014 1.00 0.00 H new ATOM 0 HE3 LYS A 113 129.419 -0.536 1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 131.429 -1.480 2.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 131.805 -0.667 0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 132.161 0.051 2.491 1.00 0.00 H new ATOM 1874 N LYS A 114 128.656 6.167 -0.931 1.00 0.00 N ATOM 1875 CA LYS A 114 128.803 7.104 -2.105 1.00 0.00 C ATOM 1876 C LYS A 114 128.577 8.573 -1.715 1.00 0.00 C ATOM 1877 O LYS A 114 128.915 9.464 -2.467 1.00 0.00 O ATOM 1878 CB LYS A 114 127.782 6.721 -3.183 1.00 0.00 C ATOM 1879 CG LYS A 114 128.073 5.306 -3.691 1.00 0.00 C ATOM 1880 CD LYS A 114 127.053 4.926 -4.766 1.00 0.00 C ATOM 1881 CE LYS A 114 127.350 3.512 -5.268 1.00 0.00 C ATOM 1882 NZ LYS A 114 127.069 2.533 -4.182 1.00 0.00 N ATOM 0 H LYS A 114 127.739 6.172 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 114 129.824 7.008 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 114 126.772 6.771 -2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 114 127.827 7.431 -4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 114 129.082 5.256 -4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 114 128.028 4.596 -2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 114 126.043 4.975 -4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 114 127.098 5.635 -5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 114 126.738 3.288 -6.142 1.00 0.00 H new ATOM 0 HE3 LYS A 114 128.391 3.436 -5.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 126.955 1.584 -4.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 127.861 2.526 -3.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 126.195 2.804 -3.688 1.00 0.00 H new ATOM 1896 N ASN A 115 128.008 8.856 -0.574 1.00 0.00 N ATOM 1897 CA ASN A 115 127.783 10.294 -0.218 1.00 0.00 C ATOM 1898 C ASN A 115 127.071 10.984 -1.388 1.00 0.00 C ATOM 1899 O ASN A 115 127.515 11.997 -1.891 1.00 0.00 O ATOM 1900 CB ASN A 115 129.134 10.975 0.039 1.00 0.00 C ATOM 1901 CG ASN A 115 128.918 12.261 0.842 1.00 0.00 C ATOM 1902 OD1 ASN A 115 128.088 12.304 1.729 1.00 0.00 O ATOM 1903 ND2 ASN A 115 129.631 13.317 0.564 1.00 0.00 N ATOM 0 H ASN A 115 127.694 8.173 0.116 1.00 0.00 H new ATOM 0 HA ASN A 115 127.172 10.365 0.682 1.00 0.00 H new ATOM 0 HB2 ASN A 115 129.794 10.301 0.584 1.00 0.00 H new ATOM 0 HB3 ASN A 115 129.623 11.204 -0.908 1.00 0.00 H new ATOM 0 HD21 ASN A 115 129.492 14.179 1.091 1.00 0.00 H new ATOM 0 HD22 ASN A 115 130.327 13.281 -0.180 1.00 0.00 H new ATOM 1910 N LEU A 116 125.986 10.417 -1.840 1.00 0.00 N ATOM 1911 CA LEU A 116 125.250 11.003 -2.997 1.00 0.00 C ATOM 1912 C LEU A 116 124.785 12.424 -2.677 1.00 0.00 C ATOM 1913 O LEU A 116 124.809 13.297 -3.521 1.00 0.00 O ATOM 1914 CB LEU A 116 124.003 10.161 -3.273 1.00 0.00 C ATOM 1915 CG LEU A 116 124.382 8.714 -3.604 1.00 0.00 C ATOM 1916 CD1 LEU A 116 123.097 7.891 -3.730 1.00 0.00 C ATOM 1917 CD2 LEU A 116 125.161 8.654 -4.930 1.00 0.00 C ATOM 0 H LEU A 116 125.575 9.567 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 116 125.919 11.018 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 116 123.347 10.179 -2.403 1.00 0.00 H new ATOM 0 HB3 LEU A 116 123.444 10.593 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 116 125.014 8.313 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 116 123.349 6.857 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.549 7.925 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 116 122.477 8.304 -4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 116 125.423 7.619 -5.151 1.00 0.00 H new ATOM 0 HD22 LEU A 116 124.542 9.052 -5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 116 126.071 9.249 -4.845 1.00 0.00 H new ATOM 1929 N SER A 117 124.328 12.660 -1.479 1.00 0.00 N ATOM 1930 CA SER A 117 123.825 14.019 -1.137 1.00 0.00 C ATOM 1931 C SER A 117 123.775 14.186 0.391 1.00 0.00 C ATOM 1932 O SER A 117 124.301 13.370 1.121 1.00 0.00 O ATOM 1933 CB SER A 117 122.429 14.177 -1.760 1.00 0.00 C ATOM 1934 OG SER A 117 122.254 13.177 -2.755 1.00 0.00 O ATOM 0 H SER A 117 124.281 11.974 -0.725 1.00 0.00 H new ATOM 0 HA SER A 117 124.488 14.790 -1.531 1.00 0.00 H new ATOM 0 HB2 SER A 117 121.661 14.084 -0.992 1.00 0.00 H new ATOM 0 HB3 SER A 117 122.322 15.169 -2.199 1.00 0.00 H new ATOM 0 HG SER A 117 121.787 13.561 -3.526 1.00 0.00 H new ATOM 1940 N THR A 118 123.155 15.245 0.882 1.00 0.00 N ATOM 1941 CA THR A 118 123.087 15.471 2.367 1.00 0.00 C ATOM 1942 C THR A 118 121.619 15.689 2.777 1.00 0.00 C ATOM 1943 O THR A 118 120.827 16.159 1.992 1.00 0.00 O ATOM 1944 CB THR A 118 123.903 16.726 2.701 1.00 0.00 C ATOM 1945 OG1 THR A 118 123.503 17.789 1.849 1.00 0.00 O ATOM 1946 CG2 THR A 118 125.391 16.438 2.492 1.00 0.00 C ATOM 0 H THR A 118 122.695 15.959 0.317 1.00 0.00 H new ATOM 0 HA THR A 118 123.487 14.610 2.903 1.00 0.00 H new ATOM 0 HB THR A 118 123.730 17.007 3.740 1.00 0.00 H new ATOM 0 HG1 THR A 118 124.022 18.592 2.062 1.00 0.00 H new ATOM 0 HG21 THR A 118 125.971 17.330 2.729 1.00 0.00 H new ATOM 0 HG22 THR A 118 125.699 15.621 3.144 1.00 0.00 H new ATOM 0 HG23 THR A 118 125.565 16.158 1.453 1.00 0.00 H new ATOM 1954 N PRO A 119 121.234 15.357 3.990 1.00 0.00 N ATOM 1955 CA PRO A 119 119.821 15.565 4.403 1.00 0.00 C ATOM 1956 C PRO A 119 119.337 16.992 4.095 1.00 0.00 C ATOM 1957 O PRO A 119 118.152 17.253 4.022 1.00 0.00 O ATOM 1958 CB PRO A 119 119.866 15.281 5.922 1.00 0.00 C ATOM 1959 CG PRO A 119 121.316 14.914 6.308 1.00 0.00 C ATOM 1960 CD PRO A 119 122.141 14.768 5.016 1.00 0.00 C ATOM 0 HA PRO A 119 119.118 14.926 3.869 1.00 0.00 H new ATOM 0 HB2 PRO A 119 119.535 16.156 6.481 1.00 0.00 H new ATOM 0 HB3 PRO A 119 119.188 14.466 6.175 1.00 0.00 H new ATOM 0 HG2 PRO A 119 121.745 15.686 6.947 1.00 0.00 H new ATOM 0 HG3 PRO A 119 121.333 13.984 6.876 1.00 0.00 H new ATOM 0 HD2 PRO A 119 123.089 15.303 5.076 1.00 0.00 H new ATOM 0 HD3 PRO A 119 122.377 13.726 4.800 1.00 0.00 H new ATOM 1968 N ALA A 120 120.245 17.912 3.908 1.00 0.00 N ATOM 1969 CA ALA A 120 119.836 19.315 3.599 1.00 0.00 C ATOM 1970 C ALA A 120 119.215 19.380 2.201 1.00 0.00 C ATOM 1971 O ALA A 120 118.069 19.762 2.023 1.00 0.00 O ATOM 1972 CB ALA A 120 121.065 20.226 3.653 1.00 0.00 C ATOM 0 H ALA A 120 121.252 17.754 3.956 1.00 0.00 H new ATOM 0 HA ALA A 120 119.101 19.645 4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.769 21.250 3.428 1.00 0.00 H new ATOM 0 HB2 ALA A 120 121.504 20.186 4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 120 121.799 19.891 2.920 1.00 0.00 H new ATOM 1978 N GLU A 121 119.967 19.013 1.202 1.00 0.00 N ATOM 1979 CA GLU A 121 119.435 19.057 -0.185 1.00 0.00 C ATOM 1980 C GLU A 121 118.289 18.052 -0.320 1.00 0.00 C ATOM 1981 O GLU A 121 117.422 18.197 -1.160 1.00 0.00 O ATOM 1982 CB GLU A 121 120.555 18.729 -1.185 1.00 0.00 C ATOM 1983 CG GLU A 121 121.261 17.434 -0.790 1.00 0.00 C ATOM 1984 CD GLU A 121 120.327 16.253 -1.059 1.00 0.00 C ATOM 1985 OE1 GLU A 121 119.903 16.110 -2.192 1.00 0.00 O ATOM 1986 OE2 GLU A 121 120.049 15.515 -0.130 1.00 0.00 O ATOM 0 H GLU A 121 120.929 18.684 1.288 1.00 0.00 H new ATOM 0 HA GLU A 121 119.059 20.057 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 121 120.139 18.632 -2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 121 121.274 19.547 -1.216 1.00 0.00 H new ATOM 0 HG2 GLU A 121 122.184 17.320 -1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 121 121.537 17.463 0.264 1.00 0.00 H new ATOM 1993 N LEU A 122 118.269 17.039 0.507 1.00 0.00 N ATOM 1994 CA LEU A 122 117.165 16.042 0.422 1.00 0.00 C ATOM 1995 C LEU A 122 115.850 16.772 0.657 1.00 0.00 C ATOM 1996 O LEU A 122 114.866 16.535 -0.016 1.00 0.00 O ATOM 1997 CB LEU A 122 117.356 14.957 1.487 1.00 0.00 C ATOM 1998 CG LEU A 122 116.144 14.010 1.514 1.00 0.00 C ATOM 1999 CD1 LEU A 122 115.873 13.447 0.113 1.00 0.00 C ATOM 2000 CD2 LEU A 122 116.442 12.855 2.473 1.00 0.00 C ATOM 0 H LEU A 122 118.964 16.861 1.232 1.00 0.00 H new ATOM 0 HA LEU A 122 117.163 15.566 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 122 118.263 14.390 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 122 117.486 15.419 2.466 1.00 0.00 H new ATOM 0 HG LEU A 122 115.265 14.562 1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 122 115.012 12.779 0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 122 115.667 14.267 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 122 116.747 12.895 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 122 115.590 12.176 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 122 117.325 12.315 2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 122 116.624 13.250 3.473 1.00 0.00 H new ATOM 2012 N GLN A 123 115.830 17.677 1.595 1.00 0.00 N ATOM 2013 CA GLN A 123 114.580 18.433 1.846 1.00 0.00 C ATOM 2014 C GLN A 123 114.220 19.170 0.562 1.00 0.00 C ATOM 2015 O GLN A 123 113.073 19.225 0.166 1.00 0.00 O ATOM 2016 CB GLN A 123 114.803 19.433 2.985 1.00 0.00 C ATOM 2017 CG GLN A 123 113.464 20.051 3.392 1.00 0.00 C ATOM 2018 CD GLN A 123 112.643 19.024 4.175 1.00 0.00 C ATOM 2019 OE1 GLN A 123 111.445 18.925 4.000 1.00 0.00 O ATOM 2020 NE2 GLN A 123 113.241 18.250 5.041 1.00 0.00 N ATOM 0 H GLN A 123 116.620 17.922 2.192 1.00 0.00 H new ATOM 0 HA GLN A 123 113.772 17.761 2.134 1.00 0.00 H new ATOM 0 HB2 GLN A 123 115.259 18.932 3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 123 115.494 20.214 2.667 1.00 0.00 H new ATOM 0 HG2 GLN A 123 113.632 20.939 4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 123 112.915 20.372 2.506 1.00 0.00 H new ATOM 0 HE21 GLN A 123 114.247 18.332 5.189 1.00 0.00 H new ATOM 0 HE22 GLN A 123 112.702 17.564 5.569 1.00 0.00 H new ATOM 2029 N ALA A 124 115.199 19.707 -0.116 1.00 0.00 N ATOM 2030 CA ALA A 124 114.907 20.404 -1.400 1.00 0.00 C ATOM 2031 C ALA A 124 114.275 19.391 -2.361 1.00 0.00 C ATOM 2032 O ALA A 124 113.345 19.694 -3.082 1.00 0.00 O ATOM 2033 CB ALA A 124 116.204 20.959 -1.998 1.00 0.00 C ATOM 0 H ALA A 124 116.180 19.693 0.162 1.00 0.00 H new ATOM 0 HA ALA A 124 114.223 21.236 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 124 115.984 21.467 -2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 124 116.654 21.665 -1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 124 116.899 20.140 -2.184 1.00 0.00 H new ATOM 2039 N ALA A 125 114.775 18.181 -2.362 1.00 0.00 N ATOM 2040 CA ALA A 125 114.208 17.132 -3.256 1.00 0.00 C ATOM 2041 C ALA A 125 112.780 16.826 -2.799 1.00 0.00 C ATOM 2042 O ALA A 125 111.885 16.635 -3.600 1.00 0.00 O ATOM 2043 CB ALA A 125 115.073 15.862 -3.170 1.00 0.00 C ATOM 0 H ALA A 125 115.554 17.876 -1.779 1.00 0.00 H new ATOM 0 HA ALA A 125 114.198 17.480 -4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 125 114.659 15.095 -3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 125 116.091 16.094 -3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 125 115.083 15.497 -2.143 1.00 0.00 H new ATOM 2049 N ILE A 126 112.561 16.786 -1.514 1.00 0.00 N ATOM 2050 CA ILE A 126 111.193 16.502 -0.996 1.00 0.00 C ATOM 2051 C ILE A 126 110.285 17.698 -1.295 1.00 0.00 C ATOM 2052 O ILE A 126 109.139 17.541 -1.667 1.00 0.00 O ATOM 2053 CB ILE A 126 111.262 16.266 0.516 1.00 0.00 C ATOM 2054 CG1 ILE A 126 111.987 14.945 0.784 1.00 0.00 C ATOM 2055 CG2 ILE A 126 109.846 16.201 1.100 1.00 0.00 C ATOM 2056 CD1 ILE A 126 112.286 14.813 2.278 1.00 0.00 C ATOM 0 H ILE A 126 113.272 16.938 -0.799 1.00 0.00 H new ATOM 0 HA ILE A 126 110.790 15.612 -1.479 1.00 0.00 H new ATOM 0 HB ILE A 126 111.803 17.087 0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 126 111.373 14.108 0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 126 112.915 14.906 0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 126 109.903 16.033 2.175 1.00 0.00 H new ATOM 0 HG22 ILE A 126 109.329 17.141 0.907 1.00 0.00 H new ATOM 0 HG23 ILE A 126 109.297 15.383 0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 126 112.802 13.871 2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 126 112.918 15.642 2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 126 111.352 14.832 2.839 1.00 0.00 H new