USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 699 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 82 ASN : amide:sc= 1.07 K(o=2.3,f=1.4) USER MOD Set 1.2: A 97 SER OG : rot -28:sc= 1.21 USER MOD Set 2.1: A 76 THR OG1 : rot 140:sc= 0.947 USER MOD Set 2.2: A 79 ASN :FLIP amide:sc= 0.00871 F(o=-1.9,f=-1.1) USER MOD Set 2.3: A 83 TYR OH : rot -150:sc= -2.09! USER MOD Set 3.1: A 49 THR OG1 : rot -113:sc= 0.431 USER MOD Set 3.2: A 50 SER OG : rot 180:sc= 0.00544 USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0.0232 USER MOD Set 4.2: A 13 GLN : amide:sc= -0.0414 X(o=-0.018,f=-0.52) USER MOD Single : A 7 SER OG : rot 25:sc= 0.0449 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 20 MET CE :methyl -157:sc= 0 (180deg=-0.96) USER MOD Single : A 21 HIS : no HD1:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 22 HIS : no HE2:sc= 1.11 K(o=1.1,f=-5.4!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN :FLIP amide:sc= -0.046 F(o=-0.69,f=-0.046) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.852 K(o=0.85,f=-4.8!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 107:sc= 1.26 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -0.649 K(o=-0.65,f=-4!) USER MOD Single : A 73 ASN :FLIP amide:sc=-0.000278 F(o=-0.64,f=-0.00028) USER MOD Single : A 74 GLN : amide:sc= -0.162 X(o=-0.16,f=0.13) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.1) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -1.46 K(o=-1.5,f=-7.8!) USER MOD Single : A 93 GLN : amide:sc= -0.0325 X(o=-0.033,f=-0.033) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 144:sc= -0.118 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 79 N SER A 7 -22.368 1.172 2.808 1.00 1.06 N ATOM 80 CA SER A 7 -21.363 2.001 2.290 1.00 0.91 C ATOM 81 C SER A 7 -20.296 2.178 3.320 1.00 0.81 C ATOM 82 O SER A 7 -20.424 2.975 4.247 1.00 0.91 O ATOM 83 CB SER A 7 -21.973 3.317 1.862 1.00 1.01 C ATOM 84 OG SER A 7 -22.883 3.115 0.792 1.00 1.58 O ATOM 0 HA SER A 7 -20.903 1.551 1.410 1.00 0.91 H new ATOM 0 HB2 SER A 7 -22.489 3.777 2.705 1.00 1.01 H new ATOM 0 HB3 SER A 7 -21.187 4.007 1.554 1.00 1.01 H new ATOM 0 HG SER A 7 -23.224 2.197 0.821 1.00 1.58 H new ATOM 90 N PHE A 8 -19.265 1.411 3.168 1.00 0.75 N ATOM 91 CA PHE A 8 -18.153 1.466 4.055 1.00 0.70 C ATOM 92 C PHE A 8 -17.175 2.488 3.535 1.00 0.53 C ATOM 93 O PHE A 8 -16.895 2.535 2.326 1.00 0.54 O ATOM 94 CB PHE A 8 -17.484 0.087 4.190 1.00 0.85 C ATOM 95 CG PHE A 8 -18.377 -0.983 4.774 1.00 0.77 C ATOM 96 CD1 PHE A 8 -18.999 -1.919 3.958 1.00 0.88 C ATOM 97 CD2 PHE A 8 -18.591 -1.052 6.138 1.00 1.01 C ATOM 98 CE1 PHE A 8 -19.813 -2.896 4.494 1.00 0.85 C ATOM 99 CE2 PHE A 8 -19.404 -2.027 6.679 1.00 1.19 C ATOM 100 CZ PHE A 8 -20.016 -2.950 5.857 1.00 0.96 C ATOM 0 H PHE A 8 -19.172 0.725 2.419 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.494 1.756 5.049 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -17.144 -0.237 3.206 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.598 0.186 4.817 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -18.844 -1.882 2.890 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -18.116 -0.333 6.789 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -20.290 -3.617 3.847 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -19.561 -2.067 7.747 1.00 1.19 H new ATOM 0 HZ PHE A 8 -20.653 -3.713 6.280 1.00 0.96 H new ATOM 110 N CYS A 9 -16.671 3.283 4.430 1.00 0.49 N ATOM 111 CA CYS A 9 -15.736 4.337 4.114 1.00 0.44 C ATOM 112 C CYS A 9 -14.355 3.706 4.063 1.00 0.37 C ATOM 113 O CYS A 9 -14.189 2.567 4.501 1.00 0.40 O ATOM 114 CB CYS A 9 -15.803 5.401 5.222 1.00 0.62 C ATOM 115 SG CYS A 9 -14.861 6.926 4.885 1.00 1.32 S ATOM 0 H CYS A 9 -16.899 3.221 5.422 1.00 0.49 H new ATOM 0 HA CYS A 9 -15.965 4.814 3.161 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -16.847 5.666 5.388 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.435 4.962 6.149 1.00 0.62 H new ATOM 120 N ALA A 10 -13.369 4.429 3.588 1.00 0.35 N ATOM 121 CA ALA A 10 -12.069 3.848 3.383 1.00 0.35 C ATOM 122 C ALA A 10 -11.200 4.075 4.570 1.00 0.29 C ATOM 123 O ALA A 10 -10.854 5.206 4.894 1.00 0.34 O ATOM 124 CB ALA A 10 -11.400 4.436 2.165 1.00 0.45 C ATOM 0 H ALA A 10 -13.444 5.415 3.338 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.209 2.777 3.233 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.419 3.980 2.033 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -12.012 4.242 1.284 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.285 5.512 2.297 1.00 0.45 H new ATOM 130 N SER A 11 -10.887 3.016 5.232 1.00 0.27 N ATOM 131 CA SER A 11 -10.013 3.068 6.344 1.00 0.27 C ATOM 132 C SER A 11 -8.682 2.464 5.921 1.00 0.23 C ATOM 133 O SER A 11 -8.650 1.381 5.321 1.00 0.25 O ATOM 134 CB SER A 11 -10.631 2.329 7.549 1.00 0.37 C ATOM 135 OG SER A 11 -9.796 2.384 8.708 1.00 1.19 O ATOM 0 H SER A 11 -11.235 2.083 5.012 1.00 0.27 H new ATOM 0 HA SER A 11 -9.851 4.098 6.663 1.00 0.27 H new ATOM 0 HB2 SER A 11 -11.601 2.768 7.782 1.00 0.37 H new ATOM 0 HB3 SER A 11 -10.808 1.287 7.281 1.00 0.37 H new ATOM 0 HG SER A 11 -10.228 1.905 9.446 1.00 1.19 H new ATOM 141 N VAL A 12 -7.607 3.147 6.219 1.00 0.23 N ATOM 142 CA VAL A 12 -6.295 2.722 5.811 1.00 0.22 C ATOM 143 C VAL A 12 -5.469 2.385 7.025 1.00 0.24 C ATOM 144 O VAL A 12 -5.191 3.246 7.861 1.00 0.29 O ATOM 145 CB VAL A 12 -5.568 3.831 4.992 1.00 0.23 C ATOM 146 CG1 VAL A 12 -4.165 3.413 4.622 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.328 4.146 3.738 1.00 0.27 C ATOM 0 H VAL A 12 -7.618 4.016 6.753 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.410 1.842 5.178 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.518 4.717 5.625 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.687 4.209 4.052 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.591 3.221 5.529 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.203 2.506 4.018 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.804 4.922 3.180 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.406 3.248 3.125 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.327 4.496 3.996 1.00 0.27 H new ATOM 157 N GLN A 13 -5.120 1.140 7.141 1.00 0.24 N ATOM 158 CA GLN A 13 -4.287 0.694 8.200 1.00 0.29 C ATOM 159 C GLN A 13 -2.969 0.248 7.617 1.00 0.26 C ATOM 160 O GLN A 13 -2.920 -0.701 6.815 1.00 0.32 O ATOM 161 CB GLN A 13 -4.929 -0.477 8.956 1.00 0.40 C ATOM 162 CG GLN A 13 -6.298 -0.179 9.557 1.00 0.68 C ATOM 163 CD GLN A 13 -6.291 0.976 10.539 1.00 1.43 C ATOM 164 OE1 GLN A 13 -5.286 1.253 11.209 1.00 2.18 O ATOM 165 NE2 GLN A 13 -7.396 1.654 10.635 1.00 2.06 N ATOM 0 H GLN A 13 -5.410 0.405 6.496 1.00 0.24 H new ATOM 0 HA GLN A 13 -4.142 1.513 8.904 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -5.024 -1.322 8.274 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -4.257 -0.786 9.756 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -6.998 0.044 8.752 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.666 -1.072 10.062 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -8.203 1.397 10.067 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -7.456 2.443 11.278 1.00 2.06 H new ATOM 174 N LEU A 14 -1.923 0.925 7.975 1.00 0.28 N ATOM 175 CA LEU A 14 -0.606 0.544 7.543 1.00 0.25 C ATOM 176 C LEU A 14 0.105 -0.165 8.645 1.00 0.25 C ATOM 177 O LEU A 14 -0.159 0.075 9.830 1.00 0.33 O ATOM 178 CB LEU A 14 0.210 1.728 7.001 1.00 0.24 C ATOM 179 CG LEU A 14 -0.154 2.180 5.587 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.573 3.445 5.219 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.213 1.108 4.604 1.00 0.25 C ATOM 0 H LEU A 14 -1.952 1.752 8.571 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.718 -0.141 6.703 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.086 2.573 7.678 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.266 1.458 7.018 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.227 2.369 5.559 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.295 3.743 4.208 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.303 4.236 5.918 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.648 3.273 5.264 1.00 0.23 H new ATOM 0 HD21 LEU A 14 -0.048 1.433 3.597 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.285 0.917 4.658 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.331 0.194 4.842 1.00 0.25 H new ATOM 193 N HIS A 15 0.981 -1.041 8.275 1.00 0.21 N ATOM 194 CA HIS A 15 1.678 -1.856 9.219 1.00 0.24 C ATOM 195 C HIS A 15 3.130 -1.812 8.900 1.00 0.21 C ATOM 196 O HIS A 15 3.512 -1.790 7.727 1.00 0.22 O ATOM 197 CB HIS A 15 1.169 -3.310 9.162 1.00 0.34 C ATOM 198 CG HIS A 15 -0.266 -3.467 9.564 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.680 -3.463 10.871 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.389 -3.604 8.820 1.00 0.62 C ATOM 201 CE1 HIS A 15 -1.984 -3.589 10.923 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.444 -3.677 9.692 1.00 0.83 N ATOM 0 H HIS A 15 1.236 -1.214 7.303 1.00 0.21 H new ATOM 0 HA HIS A 15 1.503 -1.477 10.226 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.296 -3.689 8.148 1.00 0.34 H new ATOM 0 HB3 HIS A 15 1.788 -3.927 9.813 1.00 0.34 H new ATOM 0 HD2 HIS A 15 -1.443 -3.648 7.742 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -2.580 -3.616 11.823 1.00 1.03 H new ATOM 0 HE2 HIS A 15 -3.424 -3.782 9.431 1.00 0.83 H new ATOM 211 N THR A 16 3.916 -1.740 9.951 1.00 0.26 N ATOM 212 CA THR A 16 5.348 -1.678 9.897 1.00 0.29 C ATOM 213 C THR A 16 5.908 -2.825 9.041 1.00 0.25 C ATOM 214 O THR A 16 5.485 -3.989 9.178 1.00 0.27 O ATOM 215 CB THR A 16 5.876 -1.768 11.336 1.00 0.38 C ATOM 216 OG1 THR A 16 5.166 -0.797 12.144 1.00 0.49 O ATOM 217 CG2 THR A 16 7.367 -1.467 11.395 1.00 0.47 C ATOM 0 H THR A 16 3.553 -1.723 10.904 1.00 0.26 H new ATOM 0 HA THR A 16 5.668 -0.743 9.436 1.00 0.29 H new ATOM 0 HB THR A 16 5.717 -2.780 11.708 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.489 -0.841 13.068 1.00 0.49 H new ATOM 0 HG21 THR A 16 7.712 -1.538 12.426 1.00 0.47 H new ATOM 0 HG22 THR A 16 7.908 -2.187 10.781 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.550 -0.460 11.020 1.00 0.47 H new ATOM 225 N ALA A 17 6.847 -2.466 8.167 1.00 0.28 N ATOM 226 CA ALA A 17 7.454 -3.373 7.207 1.00 0.30 C ATOM 227 C ALA A 17 8.118 -4.534 7.903 1.00 0.35 C ATOM 228 O ALA A 17 8.727 -4.367 8.963 1.00 0.40 O ATOM 229 CB ALA A 17 8.477 -2.626 6.363 1.00 0.37 C ATOM 0 H ALA A 17 7.212 -1.515 8.109 1.00 0.28 H new ATOM 0 HA ALA A 17 6.666 -3.764 6.563 1.00 0.30 H new ATOM 0 HB1 ALA A 17 8.928 -3.312 5.646 1.00 0.37 H new ATOM 0 HB2 ALA A 17 7.984 -1.814 5.828 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.253 -2.216 7.010 1.00 0.37 H new ATOM 235 N VAL A 18 8.023 -5.692 7.315 1.00 0.38 N ATOM 236 CA VAL A 18 8.588 -6.868 7.918 1.00 0.48 C ATOM 237 C VAL A 18 10.011 -7.079 7.435 1.00 0.56 C ATOM 238 O VAL A 18 10.291 -7.091 6.222 1.00 0.52 O ATOM 239 CB VAL A 18 7.713 -8.146 7.698 1.00 0.54 C ATOM 240 CG1 VAL A 18 6.382 -8.011 8.430 1.00 0.57 C ATOM 241 CG2 VAL A 18 7.463 -8.412 6.214 1.00 0.52 C ATOM 0 H VAL A 18 7.560 -5.849 6.420 1.00 0.38 H new ATOM 0 HA VAL A 18 8.606 -6.699 8.995 1.00 0.48 H new ATOM 0 HB VAL A 18 8.266 -8.993 8.104 1.00 0.54 H new ATOM 0 HG11 VAL A 18 5.785 -8.908 8.267 1.00 0.57 H new ATOM 0 HG12 VAL A 18 6.565 -7.885 9.497 1.00 0.57 H new ATOM 0 HG13 VAL A 18 5.844 -7.143 8.050 1.00 0.57 H new ATOM 0 HG21 VAL A 18 6.852 -9.308 6.103 1.00 0.52 H new ATOM 0 HG22 VAL A 18 6.943 -7.561 5.774 1.00 0.52 H new ATOM 0 HG23 VAL A 18 8.416 -8.557 5.705 1.00 0.52 H new ATOM 251 N GLU A 19 10.897 -7.194 8.387 1.00 0.72 N ATOM 252 CA GLU A 19 12.302 -7.339 8.140 1.00 0.84 C ATOM 253 C GLU A 19 12.632 -8.728 7.627 1.00 0.84 C ATOM 254 O GLU A 19 12.447 -9.726 8.330 1.00 0.96 O ATOM 255 CB GLU A 19 13.104 -7.028 9.410 1.00 1.06 C ATOM 256 CG GLU A 19 12.941 -5.600 9.906 1.00 1.72 C ATOM 257 CD GLU A 19 13.692 -5.332 11.184 1.00 2.02 C ATOM 258 OE1 GLU A 19 14.924 -5.099 11.143 1.00 2.52 O ATOM 259 OE2 GLU A 19 13.068 -5.335 12.258 1.00 2.38 O ATOM 0 H GLU A 19 10.654 -7.189 9.378 1.00 0.72 H new ATOM 0 HA GLU A 19 12.582 -6.624 7.366 1.00 0.84 H new ATOM 0 HB2 GLU A 19 12.797 -7.714 10.199 1.00 1.06 H new ATOM 0 HB3 GLU A 19 14.160 -7.217 9.217 1.00 1.06 H new ATOM 0 HG2 GLU A 19 13.288 -4.912 9.136 1.00 1.72 H new ATOM 0 HG3 GLU A 19 11.882 -5.394 10.063 1.00 1.72 H new ATOM 266 N MET A 20 13.084 -8.775 6.399 1.00 0.79 N ATOM 267 CA MET A 20 13.540 -9.976 5.737 1.00 0.84 C ATOM 268 C MET A 20 14.301 -9.564 4.490 1.00 0.81 C ATOM 269 O MET A 20 14.468 -8.365 4.287 1.00 0.84 O ATOM 270 CB MET A 20 12.391 -10.986 5.438 1.00 0.88 C ATOM 271 CG MET A 20 11.227 -10.444 4.622 1.00 0.88 C ATOM 272 SD MET A 20 9.959 -11.708 4.306 1.00 0.88 S ATOM 273 CE MET A 20 8.767 -10.778 3.339 1.00 0.58 C ATOM 0 H MET A 20 13.148 -7.946 5.808 1.00 0.79 H new ATOM 0 HA MET A 20 14.204 -10.523 6.406 1.00 0.84 H new ATOM 0 HB2 MET A 20 12.813 -11.841 4.910 1.00 0.88 H new ATOM 0 HB3 MET A 20 12.003 -11.357 6.387 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.776 -9.604 5.150 1.00 0.88 H new ATOM 0 HG3 MET A 20 11.599 -10.060 3.672 1.00 0.88 H new ATOM 0 HE1 MET A 20 7.788 -11.252 3.415 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.707 -9.758 3.719 1.00 0.58 H new ATOM 0 HE3 MET A 20 9.081 -10.759 2.295 1.00 0.58 H new ATOM 283 N HIS A 21 14.780 -10.481 3.672 1.00 0.92 N ATOM 284 CA HIS A 21 15.584 -10.070 2.499 1.00 1.01 C ATOM 285 C HIS A 21 14.782 -9.400 1.386 1.00 0.82 C ATOM 286 O HIS A 21 15.307 -8.543 0.659 1.00 0.95 O ATOM 287 CB HIS A 21 16.502 -11.173 1.976 1.00 1.24 C ATOM 288 CG HIS A 21 17.779 -11.300 2.769 1.00 1.65 C ATOM 289 ND1 HIS A 21 18.155 -12.434 3.463 1.00 2.31 N ATOM 290 CD2 HIS A 21 18.793 -10.412 2.942 1.00 2.19 C ATOM 291 CE1 HIS A 21 19.337 -12.229 4.022 1.00 2.75 C ATOM 292 NE2 HIS A 21 19.739 -11.014 3.718 1.00 2.66 N ATOM 0 H HIS A 21 14.643 -11.486 3.776 1.00 0.92 H new ATOM 0 HA HIS A 21 16.236 -9.288 2.888 1.00 1.01 H new ATOM 0 HB2 HIS A 21 15.969 -12.124 2.000 1.00 1.24 H new ATOM 0 HB3 HIS A 21 16.747 -10.971 0.933 1.00 1.24 H new ATOM 0 HD2 HIS A 21 18.841 -9.411 2.538 1.00 2.19 H new ATOM 0 HE1 HIS A 21 19.880 -12.940 4.626 1.00 2.75 H new ATOM 0 HE2 HIS A 21 20.618 -10.590 4.015 1.00 2.66 H new ATOM 301 N HIS A 22 13.553 -9.789 1.231 1.00 0.67 N ATOM 302 CA HIS A 22 12.661 -9.119 0.290 1.00 0.59 C ATOM 303 C HIS A 22 11.622 -8.430 1.138 1.00 0.49 C ATOM 304 O HIS A 22 10.997 -9.066 1.955 1.00 0.57 O ATOM 305 CB HIS A 22 12.010 -10.111 -0.700 1.00 0.76 C ATOM 306 CG HIS A 22 12.999 -10.937 -1.494 1.00 1.13 C ATOM 307 ND1 HIS A 22 13.646 -10.484 -2.620 1.00 1.52 N ATOM 308 CD2 HIS A 22 13.465 -12.191 -1.294 1.00 2.11 C ATOM 309 CE1 HIS A 22 14.459 -11.412 -3.072 1.00 2.06 C ATOM 310 NE2 HIS A 22 14.370 -12.457 -2.285 1.00 2.46 N ATOM 0 H HIS A 22 13.130 -10.567 1.738 1.00 0.67 H new ATOM 0 HA HIS A 22 13.209 -8.412 -0.332 1.00 0.59 H new ATOM 0 HB2 HIS A 22 11.356 -10.783 -0.145 1.00 0.76 H new ATOM 0 HB3 HIS A 22 11.380 -9.554 -1.394 1.00 0.76 H new ATOM 0 HD1 HIS A 22 13.514 -9.565 -3.041 1.00 1.52 H new ATOM 0 HD2 HIS A 22 13.175 -12.860 -0.497 1.00 2.11 H new ATOM 0 HE1 HIS A 22 15.092 -11.328 -3.943 1.00 2.06 H new ATOM 319 N TRP A 23 11.438 -7.160 0.967 1.00 0.41 N ATOM 320 CA TRP A 23 10.646 -6.404 1.920 1.00 0.36 C ATOM 321 C TRP A 23 9.183 -6.287 1.544 1.00 0.32 C ATOM 322 O TRP A 23 8.826 -6.158 0.372 1.00 0.44 O ATOM 323 CB TRP A 23 11.271 -5.040 2.182 1.00 0.43 C ATOM 324 CG TRP A 23 12.614 -5.124 2.858 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.795 -5.500 2.293 1.00 0.52 C ATOM 326 CD2 TRP A 23 12.911 -4.807 4.226 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.804 -5.439 3.218 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.290 -5.022 4.411 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.147 -4.365 5.307 1.00 0.70 C ATOM 330 CZ2 TRP A 23 14.919 -4.810 5.632 1.00 0.73 C ATOM 331 CZ3 TRP A 23 12.772 -4.155 6.516 1.00 0.85 C ATOM 332 CH2 TRP A 23 14.148 -4.377 6.669 1.00 0.86 C ATOM 0 H TRP A 23 11.815 -6.617 0.190 1.00 0.41 H new ATOM 0 HA TRP A 23 10.658 -6.976 2.848 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.380 -4.509 1.236 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.595 -4.451 2.802 1.00 0.43 H new ATOM 0 HD1 TRP A 23 13.918 -5.803 1.264 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.782 -5.668 3.043 1.00 0.57 H new ATOM 0 HE3 TRP A 23 11.087 -4.191 5.198 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 15.978 -4.982 5.754 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 12.192 -3.813 7.361 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.607 -4.201 7.630 1.00 0.86 H new ATOM 343 N CYS A 24 8.347 -6.324 2.553 1.00 0.27 N ATOM 344 CA CYS A 24 6.920 -6.244 2.386 1.00 0.25 C ATOM 345 C CYS A 24 6.336 -5.274 3.396 1.00 0.23 C ATOM 346 O CYS A 24 6.614 -5.380 4.610 1.00 0.25 O ATOM 347 CB CYS A 24 6.284 -7.641 2.563 1.00 0.28 C ATOM 348 SG CYS A 24 4.446 -7.678 2.499 1.00 0.30 S ATOM 0 H CYS A 24 8.644 -6.412 3.525 1.00 0.27 H new ATOM 0 HA CYS A 24 6.701 -5.885 1.381 1.00 0.25 H new ATOM 0 HB2 CYS A 24 6.672 -8.300 1.787 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.607 -8.051 3.520 1.00 0.28 H new ATOM 353 N ILE A 25 5.599 -4.306 2.897 1.00 0.20 N ATOM 354 CA ILE A 25 4.864 -3.381 3.726 1.00 0.19 C ATOM 355 C ILE A 25 3.377 -3.746 3.619 1.00 0.18 C ATOM 356 O ILE A 25 2.728 -3.442 2.602 1.00 0.18 O ATOM 357 CB ILE A 25 5.063 -1.910 3.268 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.558 -1.551 3.263 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.283 -0.957 4.181 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.863 -0.149 2.777 1.00 0.30 C ATOM 0 H ILE A 25 5.493 -4.139 1.896 1.00 0.20 H new ATOM 0 HA ILE A 25 5.226 -3.456 4.751 1.00 0.19 H new ATOM 0 HB ILE A 25 4.679 -1.805 2.253 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.950 -1.666 4.274 1.00 0.25 H new ATOM 0 HG13 ILE A 25 7.088 -2.265 2.632 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.432 0.070 3.848 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.221 -1.201 4.140 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.640 -1.061 5.206 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.939 0.020 2.806 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.505 -0.033 1.754 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.364 0.576 3.421 1.00 0.30 H new ATOM 372 N PRO A 26 2.833 -4.442 4.620 1.00 0.20 N ATOM 373 CA PRO A 26 1.443 -4.886 4.605 1.00 0.21 C ATOM 374 C PRO A 26 0.464 -3.736 4.842 1.00 0.21 C ATOM 375 O PRO A 26 0.607 -2.958 5.807 1.00 0.23 O ATOM 376 CB PRO A 26 1.358 -5.894 5.771 1.00 0.25 C ATOM 377 CG PRO A 26 2.762 -6.079 6.254 1.00 0.28 C ATOM 378 CD PRO A 26 3.512 -4.848 5.855 1.00 0.24 C ATOM 0 HA PRO A 26 1.173 -5.310 3.638 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.717 -5.517 6.568 1.00 0.25 H new ATOM 0 HB3 PRO A 26 0.931 -6.840 5.439 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.786 -6.215 7.335 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.211 -6.968 5.811 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.456 -4.074 6.621 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.569 -5.055 5.687 1.00 0.24 H new ATOM 386 N PHE A 27 -0.523 -3.625 3.985 1.00 0.23 N ATOM 387 CA PHE A 27 -1.521 -2.609 4.145 1.00 0.25 C ATOM 388 C PHE A 27 -2.898 -3.213 4.113 1.00 0.25 C ATOM 389 O PHE A 27 -3.154 -4.194 3.387 1.00 0.30 O ATOM 390 CB PHE A 27 -1.385 -1.466 3.114 1.00 0.27 C ATOM 391 CG PHE A 27 -1.562 -1.831 1.664 1.00 0.28 C ATOM 392 CD1 PHE A 27 -2.822 -1.832 1.080 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.469 -2.139 0.882 1.00 0.32 C ATOM 394 CE1 PHE A 27 -2.977 -2.141 -0.250 1.00 0.34 C ATOM 395 CE2 PHE A 27 -0.621 -2.449 -0.450 1.00 0.36 C ATOM 396 CZ PHE A 27 -1.873 -2.450 -1.015 1.00 0.37 C ATOM 0 H PHE A 27 -0.651 -4.228 3.172 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.361 -2.156 5.123 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.117 -0.697 3.362 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.399 -1.018 3.233 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.688 -1.588 1.677 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.518 -2.137 1.320 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -3.961 -2.142 -0.695 1.00 0.34 H new ATOM 0 HE2 PHE A 27 0.243 -2.691 -1.051 1.00 0.36 H new ATOM 0 HZ PHE A 27 -1.992 -2.693 -2.060 1.00 0.37 H new ATOM 406 N SER A 28 -3.760 -2.674 4.909 1.00 0.25 N ATOM 407 CA SER A 28 -5.110 -3.107 4.977 1.00 0.28 C ATOM 408 C SER A 28 -6.017 -1.897 4.792 1.00 0.24 C ATOM 409 O SER A 28 -5.970 -0.948 5.575 1.00 0.27 O ATOM 410 CB SER A 28 -5.361 -3.798 6.322 1.00 0.41 C ATOM 411 OG SER A 28 -4.459 -4.897 6.503 1.00 0.88 O ATOM 0 H SER A 28 -3.538 -1.905 5.542 1.00 0.25 H new ATOM 0 HA SER A 28 -5.324 -3.829 4.189 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.236 -3.081 7.134 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.390 -4.154 6.367 1.00 0.41 H new ATOM 0 HG SER A 28 -4.633 -5.324 7.368 1.00 0.88 H new ATOM 417 N VAL A 29 -6.772 -1.903 3.734 1.00 0.23 N ATOM 418 CA VAL A 29 -7.677 -0.827 3.434 1.00 0.21 C ATOM 419 C VAL A 29 -9.075 -1.386 3.204 1.00 0.21 C ATOM 420 O VAL A 29 -9.270 -2.249 2.362 1.00 0.27 O ATOM 421 CB VAL A 29 -7.178 0.025 2.208 1.00 0.22 C ATOM 422 CG1 VAL A 29 -6.827 -0.868 1.040 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.247 1.022 1.788 1.00 0.26 C ATOM 0 H VAL A 29 -6.779 -2.658 3.049 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.711 -0.148 4.286 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.283 0.566 2.515 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.485 -0.257 0.205 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.035 -1.557 1.334 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.708 -1.435 0.738 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.888 1.604 0.939 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.153 0.486 1.504 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.467 1.691 2.620 1.00 0.26 H new ATOM 433 N ASP A 30 -10.022 -0.946 3.976 1.00 0.27 N ATOM 434 CA ASP A 30 -11.375 -1.439 3.835 1.00 0.35 C ATOM 435 C ASP A 30 -12.278 -0.332 3.411 1.00 0.37 C ATOM 436 O ASP A 30 -12.028 0.832 3.728 1.00 0.48 O ATOM 437 CB ASP A 30 -11.908 -2.116 5.115 1.00 0.51 C ATOM 438 CG ASP A 30 -12.195 -1.168 6.263 1.00 0.80 C ATOM 439 OD1 ASP A 30 -11.246 -0.764 6.961 1.00 1.39 O ATOM 440 OD2 ASP A 30 -13.373 -0.870 6.532 1.00 1.30 O ATOM 0 H ASP A 30 -9.893 -0.249 4.710 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.355 -2.211 3.066 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -12.823 -2.655 4.870 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.181 -2.857 5.447 1.00 0.51 H new ATOM 445 N GLY A 31 -13.274 -0.693 2.657 1.00 0.37 N ATOM 446 CA GLY A 31 -14.248 0.224 2.157 1.00 0.42 C ATOM 447 C GLY A 31 -15.057 -0.480 1.116 1.00 0.46 C ATOM 448 O GLY A 31 -14.538 -1.393 0.467 1.00 0.60 O ATOM 0 H GLY A 31 -13.433 -1.658 2.367 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.890 0.575 2.965 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.761 1.102 1.732 1.00 0.42 H new ATOM 452 N GLN A 32 -16.315 -0.115 0.957 1.00 0.55 N ATOM 453 CA GLN A 32 -17.148 -0.813 -0.013 1.00 0.64 C ATOM 454 C GLN A 32 -16.771 -0.351 -1.421 1.00 0.61 C ATOM 455 O GLN A 32 -16.440 -1.190 -2.257 1.00 0.68 O ATOM 456 CB GLN A 32 -18.667 -0.686 0.295 1.00 0.76 C ATOM 457 CG GLN A 32 -19.534 -1.846 -0.235 1.00 0.99 C ATOM 458 CD GLN A 32 -19.702 -1.914 -1.750 1.00 1.82 C ATOM 459 OE1 GLN A 32 -19.775 -0.781 -2.404 1.00 2.42 O flip ATOM 460 NE2 GLN A 32 -19.825 -2.998 -2.312 1.00 2.61 N flip ATOM 0 H GLN A 32 -16.776 0.638 1.468 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.952 -1.883 0.058 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.800 -0.616 1.375 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -19.033 0.247 -0.133 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -19.098 -2.785 0.105 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -20.523 -1.771 0.218 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -19.763 -3.862 -1.773 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -19.989 -3.035 -3.318 1.00 2.61 H new ATOM 469 N PRO A 33 -16.788 0.982 -1.734 1.00 0.59 N ATOM 470 CA PRO A 33 -16.278 1.441 -3.001 1.00 0.62 C ATOM 471 C PRO A 33 -14.767 1.405 -2.920 1.00 0.53 C ATOM 472 O PRO A 33 -14.178 2.052 -2.038 1.00 0.44 O ATOM 473 CB PRO A 33 -16.779 2.897 -3.110 1.00 0.67 C ATOM 474 CG PRO A 33 -17.708 3.080 -1.958 1.00 0.78 C ATOM 475 CD PRO A 33 -17.263 2.113 -0.920 1.00 0.63 C ATOM 0 HA PRO A 33 -16.595 0.845 -3.857 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -15.950 3.603 -3.063 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.289 3.068 -4.058 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -17.668 4.102 -1.582 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -18.740 2.889 -2.254 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -16.472 2.524 -0.293 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.078 1.824 -0.257 1.00 0.63 H new ATOM 483 N ALA A 34 -14.160 0.629 -3.796 1.00 0.62 N ATOM 484 CA ALA A 34 -12.725 0.417 -3.807 1.00 0.60 C ATOM 485 C ALA A 34 -11.984 1.731 -3.981 1.00 0.52 C ATOM 486 O ALA A 34 -12.046 2.349 -5.050 1.00 0.63 O ATOM 487 CB ALA A 34 -12.360 -0.554 -4.904 1.00 0.78 C ATOM 0 H ALA A 34 -14.655 0.121 -4.529 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.426 -0.007 -2.848 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -11.281 -0.710 -4.908 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -12.863 -1.505 -4.730 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -12.672 -0.149 -5.867 1.00 0.78 H new ATOM 493 N PRO A 35 -11.287 2.187 -2.942 1.00 0.39 N ATOM 494 CA PRO A 35 -10.605 3.462 -2.971 1.00 0.35 C ATOM 495 C PRO A 35 -9.342 3.423 -3.814 1.00 0.41 C ATOM 496 O PRO A 35 -8.647 2.396 -3.885 1.00 0.56 O ATOM 497 CB PRO A 35 -10.252 3.704 -1.509 1.00 0.29 C ATOM 498 CG PRO A 35 -10.104 2.346 -0.933 1.00 0.31 C ATOM 499 CD PRO A 35 -11.096 1.482 -1.648 1.00 0.37 C ATOM 0 HA PRO A 35 -11.223 4.243 -3.414 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.331 4.278 -1.413 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -11.034 4.268 -1.000 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.090 1.972 -1.072 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.296 2.355 0.140 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -10.718 0.470 -1.792 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -12.030 1.398 -1.093 1.00 0.37 H new ATOM 507 N SER A 36 -9.061 4.528 -4.454 1.00 0.39 N ATOM 508 CA SER A 36 -7.881 4.659 -5.242 1.00 0.44 C ATOM 509 C SER A 36 -6.710 4.809 -4.284 1.00 0.37 C ATOM 510 O SER A 36 -6.624 5.795 -3.544 1.00 0.41 O ATOM 511 CB SER A 36 -8.004 5.871 -6.177 1.00 0.57 C ATOM 512 OG SER A 36 -6.914 5.955 -7.072 1.00 1.37 O ATOM 0 H SER A 36 -9.651 5.360 -4.438 1.00 0.39 H new ATOM 0 HA SER A 36 -7.729 3.784 -5.874 1.00 0.44 H new ATOM 0 HB2 SER A 36 -8.934 5.802 -6.742 1.00 0.57 H new ATOM 0 HB3 SER A 36 -8.059 6.784 -5.584 1.00 0.57 H new ATOM 0 HG SER A 36 -7.027 6.737 -7.652 1.00 1.37 H new ATOM 518 N LEU A 37 -5.880 3.800 -4.243 1.00 0.33 N ATOM 519 CA LEU A 37 -4.747 3.752 -3.355 1.00 0.30 C ATOM 520 C LEU A 37 -3.554 4.381 -4.018 1.00 0.32 C ATOM 521 O LEU A 37 -3.185 4.004 -5.129 1.00 0.50 O ATOM 522 CB LEU A 37 -4.427 2.304 -3.018 1.00 0.32 C ATOM 523 CG LEU A 37 -5.522 1.514 -2.315 1.00 0.32 C ATOM 524 CD1 LEU A 37 -5.128 0.071 -2.244 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.756 2.042 -0.918 1.00 0.27 C ATOM 0 H LEU A 37 -5.973 2.975 -4.835 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.985 4.298 -2.442 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -4.173 1.786 -3.943 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.537 2.288 -2.389 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.446 1.620 -2.884 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.911 -0.496 -1.741 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.989 -0.318 -3.253 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -4.196 -0.025 -1.687 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.543 1.461 -0.437 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.837 1.958 -0.339 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -6.058 3.088 -0.970 1.00 0.27 H new ATOM 537 N ARG A 38 -2.974 5.332 -3.369 1.00 0.23 N ATOM 538 CA ARG A 38 -1.818 6.000 -3.888 1.00 0.23 C ATOM 539 C ARG A 38 -0.799 6.195 -2.785 1.00 0.22 C ATOM 540 O ARG A 38 -1.153 6.534 -1.665 1.00 0.26 O ATOM 541 CB ARG A 38 -2.232 7.333 -4.546 1.00 0.28 C ATOM 542 CG ARG A 38 -1.086 8.178 -5.095 1.00 0.33 C ATOM 543 CD ARG A 38 -0.177 7.372 -6.009 1.00 1.28 C ATOM 544 NE ARG A 38 -0.901 6.687 -7.077 1.00 1.98 N ATOM 545 CZ ARG A 38 -0.425 5.629 -7.772 1.00 3.10 C ATOM 546 NH1 ARG A 38 0.843 5.230 -7.614 1.00 3.72 N ATOM 547 NH2 ARG A 38 -1.204 5.015 -8.647 1.00 3.78 N ATOM 0 H ARG A 38 -3.285 5.673 -2.460 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.351 5.389 -4.660 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.923 7.117 -5.360 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.779 7.926 -3.813 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -1.492 9.028 -5.644 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.503 8.582 -4.267 1.00 0.33 H new ATOM 0 HD2 ARG A 38 0.566 8.036 -6.450 1.00 1.28 H new ATOM 0 HD3 ARG A 38 0.365 6.636 -5.415 1.00 1.28 H new ATOM 0 HE ARG A 38 -1.831 7.031 -7.315 1.00 1.98 H new ATOM 0 HH11 ARG A 38 1.456 5.725 -6.966 1.00 3.72 H new ATOM 0 HH12 ARG A 38 1.196 4.431 -8.141 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -2.159 5.340 -8.795 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -0.849 4.217 -9.173 1.00 3.78 H new ATOM 561 N TRP A 39 0.452 5.958 -3.101 1.00 0.22 N ATOM 562 CA TRP A 39 1.505 6.090 -2.139 1.00 0.22 C ATOM 563 C TRP A 39 2.228 7.385 -2.350 1.00 0.20 C ATOM 564 O TRP A 39 2.452 7.818 -3.493 1.00 0.26 O ATOM 565 CB TRP A 39 2.515 4.957 -2.250 1.00 0.25 C ATOM 566 CG TRP A 39 1.993 3.601 -1.951 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.445 2.726 -2.836 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.000 2.947 -0.684 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.103 1.572 -2.198 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.431 1.678 -0.874 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.429 3.313 0.595 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.281 0.770 0.163 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.280 2.410 1.625 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.708 1.151 1.403 1.00 0.26 C ATOM 0 H TRP A 39 0.761 5.670 -4.029 1.00 0.22 H new ATOM 0 HA TRP A 39 1.046 6.059 -1.151 1.00 0.22 H new ATOM 0 HB2 TRP A 39 2.922 4.955 -3.261 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.343 5.165 -1.573 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.302 2.918 -3.889 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.671 0.759 -2.637 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.868 4.284 0.772 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 0.843 -0.203 -0.004 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.609 2.677 2.618 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.602 0.466 2.231 1.00 0.26 H new ATOM 585 N LEU A 40 2.568 8.000 -1.283 1.00 0.25 N ATOM 586 CA LEU A 40 3.339 9.190 -1.301 1.00 0.24 C ATOM 587 C LEU A 40 4.592 8.872 -0.501 1.00 0.27 C ATOM 588 O LEU A 40 4.495 8.380 0.623 1.00 0.34 O ATOM 589 CB LEU A 40 2.543 10.309 -0.622 1.00 0.31 C ATOM 590 CG LEU A 40 2.926 11.739 -0.952 1.00 0.49 C ATOM 591 CD1 LEU A 40 2.502 12.062 -2.370 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.286 12.706 0.031 1.00 0.95 C ATOM 0 H LEU A 40 2.313 7.685 -0.347 1.00 0.25 H new ATOM 0 HA LEU A 40 3.585 9.517 -2.311 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.491 10.175 -0.875 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.630 10.177 0.457 1.00 0.31 H new ATOM 0 HG LEU A 40 4.008 11.845 -0.870 1.00 0.49 H new ATOM 0 HD11 LEU A 40 2.777 13.090 -2.607 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.001 11.384 -3.062 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.422 11.945 -2.462 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.573 13.726 -0.223 1.00 0.95 H new ATOM 0 HD22 LEU A 40 1.201 12.611 -0.019 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.624 12.475 1.041 1.00 0.95 H new ATOM 604 N PHE A 41 5.727 9.111 -1.057 1.00 0.28 N ATOM 605 CA PHE A 41 6.971 8.812 -0.405 1.00 0.35 C ATOM 606 C PHE A 41 7.750 10.092 -0.167 1.00 0.38 C ATOM 607 O PHE A 41 8.282 10.698 -1.109 1.00 0.41 O ATOM 608 CB PHE A 41 7.795 7.787 -1.216 1.00 0.45 C ATOM 609 CG PHE A 41 9.149 7.528 -0.622 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.297 7.852 -1.316 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.266 6.995 0.645 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.536 7.653 -0.756 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.495 6.788 1.205 1.00 0.74 C ATOM 614 CZ PHE A 41 11.634 7.119 0.507 1.00 0.86 C ATOM 0 H PHE A 41 5.829 9.523 -1.985 1.00 0.28 H new ATOM 0 HA PHE A 41 6.759 8.355 0.562 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.243 6.849 -1.274 1.00 0.45 H new ATOM 0 HB3 PHE A 41 7.915 8.150 -2.237 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.221 8.267 -2.310 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.376 6.738 1.201 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.428 7.915 -1.305 1.00 0.88 H new ATOM 0 HE2 PHE A 41 10.573 6.365 2.196 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.605 6.959 0.952 1.00 0.86 H new ATOM 624 N ASN A 42 7.791 10.503 1.092 1.00 0.46 N ATOM 625 CA ASN A 42 8.456 11.738 1.538 1.00 0.57 C ATOM 626 C ASN A 42 7.870 12.952 0.835 1.00 0.53 C ATOM 627 O ASN A 42 8.590 13.873 0.432 1.00 0.69 O ATOM 628 CB ASN A 42 9.996 11.699 1.358 1.00 0.73 C ATOM 629 CG ASN A 42 10.692 10.638 2.190 1.00 1.12 C ATOM 630 OD1 ASN A 42 10.197 10.225 3.236 1.00 1.79 O ATOM 631 ND2 ASN A 42 11.861 10.226 1.762 1.00 1.72 N ATOM 0 H ASN A 42 7.357 9.983 1.854 1.00 0.46 H new ATOM 0 HA ASN A 42 8.267 11.818 2.609 1.00 0.57 H new ATOM 0 HB2 ASN A 42 10.223 11.527 0.306 1.00 0.73 H new ATOM 0 HB3 ASN A 42 10.406 12.675 1.617 1.00 0.73 H new ATOM 0 HD21 ASN A 42 12.390 9.541 2.302 1.00 1.72 H new ATOM 0 HD22 ASN A 42 12.242 10.590 0.889 1.00 1.72 H new ATOM 638 N GLY A 43 6.568 12.923 0.638 1.00 0.45 N ATOM 639 CA GLY A 43 5.878 14.021 -0.013 1.00 0.51 C ATOM 640 C GLY A 43 5.845 13.888 -1.531 1.00 0.47 C ATOM 641 O GLY A 43 5.036 14.525 -2.200 1.00 0.61 O ATOM 0 H GLY A 43 5.964 12.150 0.919 1.00 0.45 H new ATOM 0 HA2 GLY A 43 4.857 14.075 0.364 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.366 14.958 0.253 1.00 0.51 H new ATOM 645 N SER A 44 6.703 13.059 -2.063 1.00 0.38 N ATOM 646 CA SER A 44 6.800 12.850 -3.486 1.00 0.40 C ATOM 647 C SER A 44 5.926 11.661 -3.874 1.00 0.33 C ATOM 648 O SER A 44 5.918 10.649 -3.186 1.00 0.28 O ATOM 649 CB SER A 44 8.255 12.576 -3.824 1.00 0.51 C ATOM 650 OG SER A 44 9.092 13.618 -3.317 1.00 1.37 O ATOM 0 H SER A 44 7.361 12.504 -1.517 1.00 0.38 H new ATOM 0 HA SER A 44 6.458 13.727 -4.035 1.00 0.40 H new ATOM 0 HB2 SER A 44 8.559 11.619 -3.400 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.375 12.499 -4.905 1.00 0.51 H new ATOM 0 HG SER A 44 10.026 13.426 -3.542 1.00 1.37 H new ATOM 656 N VAL A 45 5.179 11.791 -4.941 1.00 0.41 N ATOM 657 CA VAL A 45 4.281 10.775 -5.358 1.00 0.41 C ATOM 658 C VAL A 45 5.039 9.519 -5.829 1.00 0.39 C ATOM 659 O VAL A 45 6.075 9.606 -6.515 1.00 0.45 O ATOM 660 CB VAL A 45 3.329 11.321 -6.452 1.00 0.55 C ATOM 661 CG1 VAL A 45 3.990 11.440 -7.801 1.00 0.68 C ATOM 662 CG2 VAL A 45 2.118 10.499 -6.532 1.00 0.70 C ATOM 0 H VAL A 45 5.186 12.616 -5.541 1.00 0.41 H new ATOM 0 HA VAL A 45 3.674 10.474 -4.504 1.00 0.41 H new ATOM 0 HB VAL A 45 3.054 12.333 -6.156 1.00 0.55 H new ATOM 0 HG11 VAL A 45 3.273 11.828 -8.525 1.00 0.68 H new ATOM 0 HG12 VAL A 45 4.839 12.120 -7.731 1.00 0.68 H new ATOM 0 HG13 VAL A 45 4.337 10.458 -8.124 1.00 0.68 H new ATOM 0 HG21 VAL A 45 1.460 10.895 -7.305 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.390 9.473 -6.779 1.00 0.70 H new ATOM 0 HG23 VAL A 45 1.602 10.517 -5.572 1.00 0.70 H new ATOM 672 N LEU A 46 4.562 8.368 -5.419 1.00 0.37 N ATOM 673 CA LEU A 46 5.183 7.134 -5.804 1.00 0.40 C ATOM 674 C LEU A 46 4.552 6.598 -7.041 1.00 0.44 C ATOM 675 O LEU A 46 3.328 6.435 -7.111 1.00 0.51 O ATOM 676 CB LEU A 46 5.064 6.058 -4.725 1.00 0.44 C ATOM 677 CG LEU A 46 5.718 4.691 -5.070 1.00 0.51 C ATOM 678 CD1 LEU A 46 7.233 4.820 -5.114 1.00 0.57 C ATOM 679 CD2 LEU A 46 5.299 3.622 -4.074 1.00 0.61 C ATOM 0 H LEU A 46 3.744 8.265 -4.818 1.00 0.37 H new ATOM 0 HA LEU A 46 6.236 7.363 -5.966 1.00 0.40 H new ATOM 0 HB2 LEU A 46 5.515 6.436 -3.808 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.007 5.893 -4.516 1.00 0.44 H new ATOM 0 HG LEU A 46 5.369 4.387 -6.057 1.00 0.51 H new ATOM 0 HD11 LEU A 46 7.674 3.853 -5.357 1.00 0.57 H new ATOM 0 HD12 LEU A 46 7.514 5.548 -5.875 1.00 0.57 H new ATOM 0 HD13 LEU A 46 7.598 5.151 -4.142 1.00 0.57 H new ATOM 0 HD21 LEU A 46 5.770 2.675 -4.337 1.00 0.61 H new ATOM 0 HD22 LEU A 46 5.611 3.916 -3.072 1.00 0.61 H new ATOM 0 HD23 LEU A 46 4.215 3.507 -4.098 1.00 0.61 H new ATOM 691 N ASN A 47 5.364 6.378 -8.004 1.00 0.54 N ATOM 692 CA ASN A 47 4.988 5.636 -9.153 1.00 0.59 C ATOM 693 C ASN A 47 5.760 4.373 -9.031 1.00 0.53 C ATOM 694 O ASN A 47 6.992 4.391 -9.175 1.00 0.64 O ATOM 695 CB ASN A 47 5.357 6.348 -10.465 1.00 0.79 C ATOM 696 CG ASN A 47 4.613 7.651 -10.677 1.00 1.54 C ATOM 697 OD1 ASN A 47 5.080 8.724 -10.270 1.00 2.47 O ATOM 698 ND2 ASN A 47 3.470 7.585 -11.311 1.00 1.94 N ATOM 0 H ASN A 47 6.327 6.713 -8.020 1.00 0.54 H new ATOM 0 HA ASN A 47 3.908 5.493 -9.194 1.00 0.59 H new ATOM 0 HB2 ASN A 47 6.429 6.546 -10.472 1.00 0.79 H new ATOM 0 HB3 ASN A 47 5.150 5.681 -11.302 1.00 0.79 H new ATOM 0 HD21 ASN A 47 2.933 8.435 -11.484 1.00 1.94 H new ATOM 0 HD22 ASN A 47 3.116 6.684 -11.632 1.00 1.94 H new ATOM 705 N GLU A 48 5.078 3.319 -8.658 1.00 0.49 N ATOM 706 CA GLU A 48 5.685 2.021 -8.449 1.00 0.53 C ATOM 707 C GLU A 48 6.554 1.585 -9.628 1.00 0.53 C ATOM 708 O GLU A 48 6.196 1.757 -10.802 1.00 0.70 O ATOM 709 CB GLU A 48 4.658 0.961 -8.058 1.00 0.69 C ATOM 710 CG GLU A 48 3.343 1.081 -8.756 1.00 0.74 C ATOM 711 CD GLU A 48 2.388 2.032 -8.083 1.00 1.12 C ATOM 712 OE1 GLU A 48 2.308 3.198 -8.499 1.00 1.56 O ATOM 713 OE2 GLU A 48 1.693 1.596 -7.119 1.00 1.74 O ATOM 0 H GLU A 48 4.072 3.335 -8.488 1.00 0.49 H new ATOM 0 HA GLU A 48 6.359 2.128 -7.599 1.00 0.53 H new ATOM 0 HB2 GLU A 48 5.076 -0.024 -8.265 1.00 0.69 H new ATOM 0 HB3 GLU A 48 4.490 1.016 -6.982 1.00 0.69 H new ATOM 0 HG2 GLU A 48 3.514 1.414 -9.780 1.00 0.74 H new ATOM 0 HG3 GLU A 48 2.881 0.096 -8.814 1.00 0.74 H new ATOM 720 N THR A 49 7.684 1.036 -9.307 1.00 0.53 N ATOM 721 CA THR A 49 8.680 0.730 -10.276 1.00 0.58 C ATOM 722 C THR A 49 8.950 -0.783 -10.310 1.00 0.60 C ATOM 723 O THR A 49 8.181 -1.553 -9.739 1.00 0.65 O ATOM 724 CB THR A 49 9.983 1.559 -10.004 1.00 0.71 C ATOM 725 OG1 THR A 49 10.964 1.319 -11.015 1.00 1.57 O ATOM 726 CG2 THR A 49 10.571 1.231 -8.642 1.00 0.98 C ATOM 0 H THR A 49 7.940 0.786 -8.352 1.00 0.53 H new ATOM 0 HA THR A 49 8.316 1.015 -11.263 1.00 0.58 H new ATOM 0 HB THR A 49 9.703 2.612 -10.022 1.00 0.71 H new ATOM 0 HG1 THR A 49 11.730 0.849 -10.623 1.00 1.57 H new ATOM 0 HG21 THR A 49 11.473 1.822 -8.483 1.00 0.98 H new ATOM 0 HG22 THR A 49 9.843 1.465 -7.865 1.00 0.98 H new ATOM 0 HG23 THR A 49 10.819 0.171 -8.599 1.00 0.98 H new ATOM 734 N SER A 50 10.004 -1.195 -10.946 1.00 0.68 N ATOM 735 CA SER A 50 10.307 -2.595 -11.128 1.00 0.78 C ATOM 736 C SER A 50 10.648 -3.282 -9.786 1.00 0.72 C ATOM 737 O SER A 50 10.318 -4.455 -9.568 1.00 0.86 O ATOM 738 CB SER A 50 11.457 -2.696 -12.098 1.00 0.96 C ATOM 739 OG SER A 50 11.249 -1.794 -13.198 1.00 1.52 O ATOM 0 H SER A 50 10.691 -0.566 -11.361 1.00 0.68 H new ATOM 0 HA SER A 50 9.433 -3.112 -11.524 1.00 0.78 H new ATOM 0 HB2 SER A 50 12.393 -2.457 -11.592 1.00 0.96 H new ATOM 0 HB3 SER A 50 11.545 -3.718 -12.466 1.00 0.96 H new ATOM 0 HG SER A 50 12.000 -1.863 -13.824 1.00 1.52 H new ATOM 745 N PHE A 51 11.276 -2.537 -8.885 1.00 0.64 N ATOM 746 CA PHE A 51 11.652 -3.082 -7.587 1.00 0.68 C ATOM 747 C PHE A 51 10.532 -2.915 -6.557 1.00 0.55 C ATOM 748 O PHE A 51 10.306 -3.788 -5.734 1.00 0.61 O ATOM 749 CB PHE A 51 12.926 -2.412 -7.050 1.00 0.87 C ATOM 750 CG PHE A 51 14.142 -2.573 -7.918 1.00 1.08 C ATOM 751 CD1 PHE A 51 14.760 -3.804 -8.045 1.00 1.39 C ATOM 752 CD2 PHE A 51 14.682 -1.486 -8.587 1.00 1.16 C ATOM 753 CE1 PHE A 51 15.890 -3.953 -8.823 1.00 1.59 C ATOM 754 CE2 PHE A 51 15.810 -1.627 -9.368 1.00 1.37 C ATOM 755 CZ PHE A 51 16.416 -2.862 -9.487 1.00 1.52 C ATOM 0 H PHE A 51 11.534 -1.561 -9.028 1.00 0.64 H new ATOM 0 HA PHE A 51 11.838 -4.145 -7.739 1.00 0.68 H new ATOM 0 HB2 PHE A 51 12.731 -1.348 -6.918 1.00 0.87 H new ATOM 0 HB3 PHE A 51 13.145 -2.821 -6.064 1.00 0.87 H new ATOM 0 HD1 PHE A 51 14.353 -4.660 -7.528 1.00 1.39 H new ATOM 0 HD2 PHE A 51 14.214 -0.517 -8.496 1.00 1.16 H new ATOM 0 HE1 PHE A 51 16.362 -4.920 -8.912 1.00 1.59 H new ATOM 0 HE2 PHE A 51 16.219 -0.772 -9.886 1.00 1.37 H new ATOM 0 HZ PHE A 51 17.299 -2.975 -10.098 1.00 1.52 H new ATOM 765 N ILE A 52 9.842 -1.803 -6.627 1.00 0.46 N ATOM 766 CA ILE A 52 8.824 -1.440 -5.639 1.00 0.39 C ATOM 767 C ILE A 52 7.474 -1.538 -6.310 1.00 0.37 C ATOM 768 O ILE A 52 7.179 -0.710 -7.161 1.00 0.43 O ATOM 769 CB ILE A 52 9.006 0.045 -5.216 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.474 0.347 -4.915 1.00 0.46 C ATOM 771 CG2 ILE A 52 8.142 0.373 -3.991 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.743 1.799 -4.623 1.00 0.50 C ATOM 0 H ILE A 52 9.962 -1.114 -7.369 1.00 0.46 H new ATOM 0 HA ILE A 52 8.907 -2.097 -4.773 1.00 0.39 H new ATOM 0 HB ILE A 52 8.684 0.671 -6.048 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.792 -0.252 -4.061 1.00 0.46 H new ATOM 0 HG13 ILE A 52 11.082 0.037 -5.765 1.00 0.46 H new ATOM 0 HG21 ILE A 52 8.286 1.417 -3.713 1.00 0.41 H new ATOM 0 HG22 ILE A 52 7.092 0.202 -4.230 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.433 -0.267 -3.158 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.805 1.938 -4.419 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.457 2.402 -5.484 1.00 0.50 H new ATOM 0 HD13 ILE A 52 10.163 2.109 -3.754 1.00 0.50 H new ATOM 784 N PHE A 53 6.665 -2.509 -5.961 1.00 0.33 N ATOM 785 CA PHE A 53 5.383 -2.649 -6.624 1.00 0.37 C ATOM 786 C PHE A 53 4.265 -2.936 -5.629 1.00 0.31 C ATOM 787 O PHE A 53 4.444 -3.697 -4.665 1.00 0.29 O ATOM 788 CB PHE A 53 5.463 -3.734 -7.709 1.00 0.48 C ATOM 789 CG PHE A 53 4.240 -3.838 -8.586 1.00 1.06 C ATOM 790 CD1 PHE A 53 3.914 -2.825 -9.469 1.00 1.95 C ATOM 791 CD2 PHE A 53 3.423 -4.954 -8.522 1.00 1.15 C ATOM 792 CE1 PHE A 53 2.796 -2.922 -10.276 1.00 2.87 C ATOM 793 CE2 PHE A 53 2.303 -5.060 -9.324 1.00 2.02 C ATOM 794 CZ PHE A 53 1.983 -4.017 -10.199 1.00 2.89 C ATOM 0 H PHE A 53 6.861 -3.202 -5.239 1.00 0.33 H new ATOM 0 HA PHE A 53 5.142 -1.701 -7.104 1.00 0.37 H new ATOM 0 HB2 PHE A 53 6.330 -3.535 -8.339 1.00 0.48 H new ATOM 0 HB3 PHE A 53 5.632 -4.698 -7.229 1.00 0.48 H new ATOM 0 HD1 PHE A 53 4.541 -1.947 -9.529 1.00 1.95 H new ATOM 0 HD2 PHE A 53 3.664 -5.752 -7.836 1.00 1.15 H new ATOM 0 HE1 PHE A 53 2.564 -2.128 -10.971 1.00 2.87 H new ATOM 0 HE2 PHE A 53 1.680 -5.941 -9.276 1.00 2.02 H new ATOM 0 HZ PHE A 53 1.096 -4.077 -10.812 1.00 2.89 H new ATOM 804 N THR A 54 3.142 -2.293 -5.842 1.00 0.35 N ATOM 805 CA THR A 54 1.982 -2.464 -5.020 1.00 0.35 C ATOM 806 C THR A 54 1.222 -3.731 -5.459 1.00 0.35 C ATOM 807 O THR A 54 0.626 -3.766 -6.537 1.00 0.40 O ATOM 808 CB THR A 54 1.059 -1.231 -5.164 1.00 0.39 C ATOM 809 OG1 THR A 54 1.837 -0.029 -4.990 1.00 0.43 O ATOM 810 CG2 THR A 54 -0.033 -1.266 -4.110 1.00 0.44 C ATOM 0 H THR A 54 3.013 -1.628 -6.604 1.00 0.35 H new ATOM 0 HA THR A 54 2.288 -2.567 -3.979 1.00 0.35 H new ATOM 0 HB THR A 54 0.604 -1.245 -6.155 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.955 0.413 -5.857 1.00 0.43 H new ATOM 0 HG21 THR A 54 -0.675 -0.393 -4.223 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.627 -2.172 -4.232 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.418 -1.259 -3.118 1.00 0.44 H new ATOM 818 N GLU A 55 1.253 -4.754 -4.637 1.00 0.36 N ATOM 819 CA GLU A 55 0.600 -6.006 -4.960 1.00 0.42 C ATOM 820 C GLU A 55 -0.614 -6.222 -4.087 1.00 0.44 C ATOM 821 O GLU A 55 -0.623 -5.849 -2.909 1.00 0.57 O ATOM 822 CB GLU A 55 1.567 -7.183 -4.850 1.00 0.60 C ATOM 823 CG GLU A 55 2.673 -7.151 -5.886 1.00 1.21 C ATOM 824 CD GLU A 55 3.600 -8.333 -5.808 1.00 1.38 C ATOM 825 OE1 GLU A 55 3.143 -9.480 -5.989 1.00 1.67 O ATOM 826 OE2 GLU A 55 4.814 -8.142 -5.630 1.00 2.04 O ATOM 0 H GLU A 55 1.726 -4.745 -3.733 1.00 0.36 H new ATOM 0 HA GLU A 55 0.267 -5.947 -5.996 1.00 0.42 H new ATOM 0 HB2 GLU A 55 2.011 -7.187 -3.855 1.00 0.60 H new ATOM 0 HB3 GLU A 55 1.009 -8.113 -4.954 1.00 0.60 H new ATOM 0 HG2 GLU A 55 2.228 -7.113 -6.880 1.00 1.21 H new ATOM 0 HG3 GLU A 55 3.252 -6.236 -5.760 1.00 1.21 H new ATOM 833 N PHE A 56 -1.639 -6.811 -4.660 1.00 0.52 N ATOM 834 CA PHE A 56 -2.887 -7.052 -3.965 1.00 0.62 C ATOM 835 C PHE A 56 -3.198 -8.531 -3.978 1.00 0.73 C ATOM 836 O PHE A 56 -2.746 -9.255 -4.867 1.00 0.87 O ATOM 837 CB PHE A 56 -4.042 -6.315 -4.662 1.00 0.68 C ATOM 838 CG PHE A 56 -3.826 -4.844 -4.838 1.00 0.63 C ATOM 839 CD1 PHE A 56 -3.907 -3.982 -3.754 1.00 0.69 C ATOM 840 CD2 PHE A 56 -3.548 -4.325 -6.079 1.00 0.61 C ATOM 841 CE1 PHE A 56 -3.711 -2.626 -3.915 1.00 0.69 C ATOM 842 CE2 PHE A 56 -3.354 -2.976 -6.246 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.422 -2.122 -5.159 1.00 0.61 C ATOM 0 H PHE A 56 -1.632 -7.139 -5.626 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.783 -6.691 -2.942 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -4.204 -6.765 -5.641 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.954 -6.469 -4.086 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -4.126 -4.377 -2.773 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -3.481 -4.984 -6.932 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -3.785 -1.963 -3.065 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -3.148 -2.580 -7.229 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.249 -1.064 -5.289 1.00 0.61 H new ATOM 853 N LEU A 57 -3.939 -8.979 -3.006 1.00 0.77 N ATOM 854 CA LEU A 57 -4.388 -10.343 -2.961 1.00 0.93 C ATOM 855 C LEU A 57 -5.904 -10.306 -2.851 1.00 1.04 C ATOM 856 O LEU A 57 -6.461 -9.304 -2.388 1.00 1.04 O ATOM 857 CB LEU A 57 -3.706 -11.111 -1.787 1.00 1.01 C ATOM 858 CG LEU A 57 -4.073 -10.737 -0.344 1.00 0.99 C ATOM 859 CD1 LEU A 57 -5.359 -11.428 0.088 1.00 1.25 C ATOM 860 CD2 LEU A 57 -2.935 -11.081 0.599 1.00 1.16 C ATOM 0 H LEU A 57 -4.250 -8.408 -2.220 1.00 0.77 H new ATOM 0 HA LEU A 57 -4.107 -10.889 -3.862 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -3.921 -12.171 -1.918 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -2.628 -10.989 -1.895 1.00 1.01 H new ATOM 0 HG LEU A 57 -4.241 -9.661 -0.304 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -5.597 -11.146 1.114 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -6.174 -11.125 -0.570 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -5.229 -12.509 0.029 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -3.212 -10.809 1.618 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -2.733 -12.151 0.551 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -2.041 -10.530 0.307 1.00 1.16 H new ATOM 872 N GLU A 58 -6.553 -11.363 -3.274 1.00 1.18 N ATOM 873 CA GLU A 58 -8.004 -11.415 -3.310 1.00 1.31 C ATOM 874 C GLU A 58 -8.660 -11.583 -1.958 1.00 1.24 C ATOM 875 O GLU A 58 -8.406 -12.568 -1.250 1.00 1.32 O ATOM 876 CB GLU A 58 -8.492 -12.517 -4.220 1.00 1.61 C ATOM 877 CG GLU A 58 -8.318 -12.226 -5.687 1.00 2.01 C ATOM 878 CD GLU A 58 -8.924 -10.899 -6.063 1.00 2.65 C ATOM 879 OE1 GLU A 58 -8.207 -10.029 -6.625 1.00 3.36 O ATOM 880 OE2 GLU A 58 -10.130 -10.704 -5.807 1.00 2.90 O ATOM 0 H GLU A 58 -6.096 -12.213 -3.604 1.00 1.18 H new ATOM 0 HA GLU A 58 -8.298 -10.438 -3.694 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -7.959 -13.436 -3.977 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -9.548 -12.698 -4.019 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -7.257 -12.226 -5.935 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -8.783 -13.019 -6.274 1.00 2.01 H new ATOM 887 N PRO A 59 -9.522 -10.636 -1.587 1.00 1.21 N ATOM 888 CA PRO A 59 -10.342 -10.743 -0.398 1.00 1.25 C ATOM 889 C PRO A 59 -11.551 -11.637 -0.686 1.00 1.26 C ATOM 890 O PRO A 59 -11.964 -11.787 -1.843 1.00 1.35 O ATOM 891 CB PRO A 59 -10.798 -9.301 -0.162 1.00 1.37 C ATOM 892 CG PRO A 59 -10.803 -8.659 -1.505 1.00 1.39 C ATOM 893 CD PRO A 59 -9.757 -9.359 -2.316 1.00 1.30 C ATOM 0 HA PRO A 59 -9.821 -11.175 0.456 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -11.789 -9.272 0.290 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -10.122 -8.782 0.518 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -11.783 -8.750 -1.974 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -10.584 -7.594 -1.426 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -10.098 -9.540 -3.335 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -8.845 -8.767 -2.386 1.00 1.30 H new ATOM 901 N ALA A 60 -12.084 -12.245 0.337 1.00 1.29 N ATOM 902 CA ALA A 60 -13.252 -13.070 0.201 1.00 1.40 C ATOM 903 C ALA A 60 -14.488 -12.181 0.140 1.00 1.40 C ATOM 904 O ALA A 60 -14.355 -10.967 0.299 1.00 1.33 O ATOM 905 CB ALA A 60 -13.337 -14.071 1.342 1.00 1.53 C ATOM 0 H ALA A 60 -11.721 -12.183 1.288 1.00 1.29 H new ATOM 0 HA ALA A 60 -13.190 -13.644 -0.724 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -14.229 -14.686 1.221 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -12.453 -14.708 1.334 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -13.391 -13.537 2.291 1.00 1.53 H new ATOM 911 N ALA A 61 -15.657 -12.732 -0.058 1.00 1.55 N ATOM 912 CA ALA A 61 -16.854 -11.903 -0.226 1.00 1.65 C ATOM 913 C ALA A 61 -17.191 -11.107 1.032 1.00 1.59 C ATOM 914 O ALA A 61 -17.589 -9.934 0.959 1.00 1.70 O ATOM 915 CB ALA A 61 -18.041 -12.726 -0.681 1.00 1.91 C ATOM 0 H ALA A 61 -15.820 -13.738 -0.109 1.00 1.55 H new ATOM 0 HA ALA A 61 -16.623 -11.182 -1.010 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -18.910 -12.079 -0.795 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -17.812 -13.198 -1.637 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -18.256 -13.495 0.061 1.00 1.91 H new ATOM 921 N ASN A 62 -16.996 -11.728 2.178 1.00 1.52 N ATOM 922 CA ASN A 62 -17.273 -11.081 3.452 1.00 1.56 C ATOM 923 C ASN A 62 -16.191 -10.056 3.778 1.00 1.33 C ATOM 924 O ASN A 62 -16.412 -9.125 4.551 1.00 1.40 O ATOM 925 CB ASN A 62 -17.432 -12.122 4.584 1.00 1.82 C ATOM 926 CG ASN A 62 -17.752 -11.500 5.950 1.00 2.72 C ATOM 927 OD1 ASN A 62 -16.863 -11.225 6.745 1.00 3.49 O ATOM 928 ND2 ASN A 62 -19.011 -11.266 6.215 1.00 3.19 N ATOM 0 H ASN A 62 -16.646 -12.683 2.257 1.00 1.52 H new ATOM 0 HA ASN A 62 -18.221 -10.550 3.368 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -18.226 -12.819 4.316 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -16.513 -12.702 4.665 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -19.275 -10.843 7.105 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -19.729 -11.506 5.532 1.00 3.19 H new ATOM 935 N GLU A 63 -15.034 -10.195 3.146 1.00 1.20 N ATOM 936 CA GLU A 63 -13.963 -9.268 3.380 1.00 1.07 C ATOM 937 C GLU A 63 -14.165 -8.027 2.548 1.00 0.90 C ATOM 938 O GLU A 63 -14.070 -8.061 1.324 1.00 0.97 O ATOM 939 CB GLU A 63 -12.594 -9.862 3.056 1.00 1.16 C ATOM 940 CG GLU A 63 -12.185 -11.039 3.902 1.00 1.31 C ATOM 941 CD GLU A 63 -10.773 -11.471 3.611 1.00 1.42 C ATOM 942 OE1 GLU A 63 -9.844 -11.103 4.363 1.00 1.48 O ATOM 943 OE2 GLU A 63 -10.565 -12.202 2.619 1.00 1.89 O ATOM 0 H GLU A 63 -14.825 -10.936 2.477 1.00 1.20 H new ATOM 0 HA GLU A 63 -13.982 -9.026 4.443 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -12.588 -10.168 2.010 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -11.842 -9.080 3.164 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -12.276 -10.778 4.956 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -12.865 -11.871 3.720 1.00 1.31 H new ATOM 950 N THR A 64 -14.415 -6.934 3.204 1.00 0.80 N ATOM 951 CA THR A 64 -14.566 -5.668 2.528 1.00 0.74 C ATOM 952 C THR A 64 -13.187 -4.976 2.493 1.00 0.59 C ATOM 953 O THR A 64 -13.008 -3.874 1.952 1.00 0.61 O ATOM 954 CB THR A 64 -15.588 -4.803 3.293 1.00 0.90 C ATOM 955 OG1 THR A 64 -16.683 -5.647 3.702 1.00 1.30 O ATOM 956 CG2 THR A 64 -16.144 -3.703 2.400 1.00 1.15 C ATOM 0 H THR A 64 -14.521 -6.888 4.217 1.00 0.80 H new ATOM 0 HA THR A 64 -14.929 -5.811 1.510 1.00 0.74 H new ATOM 0 HB THR A 64 -15.092 -4.348 4.151 1.00 0.90 H new ATOM 0 HG1 THR A 64 -17.342 -5.113 4.192 1.00 1.30 H new ATOM 0 HG21 THR A 64 -16.863 -3.106 2.962 1.00 1.15 H new ATOM 0 HG22 THR A 64 -15.329 -3.064 2.060 1.00 1.15 H new ATOM 0 HG23 THR A 64 -16.639 -4.150 1.538 1.00 1.15 H new ATOM 964 N VAL A 65 -12.214 -5.666 3.054 1.00 0.53 N ATOM 965 CA VAL A 65 -10.875 -5.173 3.152 1.00 0.45 C ATOM 966 C VAL A 65 -10.079 -5.613 1.948 1.00 0.42 C ATOM 967 O VAL A 65 -10.043 -6.794 1.620 1.00 0.49 O ATOM 968 CB VAL A 65 -10.136 -5.728 4.392 1.00 0.52 C ATOM 969 CG1 VAL A 65 -8.849 -4.967 4.644 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.018 -5.759 5.618 1.00 0.61 C ATOM 0 H VAL A 65 -12.343 -6.594 3.456 1.00 0.53 H new ATOM 0 HA VAL A 65 -10.950 -4.088 3.222 1.00 0.45 H new ATOM 0 HB VAL A 65 -9.874 -6.763 4.175 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.349 -5.378 5.521 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.195 -5.061 3.777 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.076 -3.915 4.815 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -10.454 -6.156 6.462 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.354 -4.748 5.850 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -11.883 -6.395 5.428 1.00 0.61 H new ATOM 980 N ARG A 66 -9.440 -4.686 1.329 1.00 0.37 N ATOM 981 CA ARG A 66 -8.527 -4.956 0.272 1.00 0.36 C ATOM 982 C ARG A 66 -7.200 -5.247 0.931 1.00 0.34 C ATOM 983 O ARG A 66 -6.687 -4.430 1.719 1.00 0.41 O ATOM 984 CB ARG A 66 -8.441 -3.760 -0.683 1.00 0.42 C ATOM 985 CG ARG A 66 -7.310 -3.826 -1.706 1.00 1.13 C ATOM 986 CD ARG A 66 -7.403 -2.682 -2.710 1.00 1.10 C ATOM 987 NE ARG A 66 -8.605 -2.788 -3.527 1.00 0.82 N ATOM 988 CZ ARG A 66 -8.730 -2.420 -4.810 1.00 1.15 C ATOM 989 NH1 ARG A 66 -7.767 -1.727 -5.427 1.00 1.61 N ATOM 990 NH2 ARG A 66 -9.834 -2.718 -5.462 1.00 1.84 N ATOM 0 H ARG A 66 -9.538 -3.694 1.547 1.00 0.37 H new ATOM 0 HA ARG A 66 -8.847 -5.803 -0.335 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -9.387 -3.673 -1.217 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -8.323 -2.851 -0.092 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -6.349 -3.785 -1.192 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -7.349 -4.779 -2.233 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -7.405 -1.730 -2.180 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -6.523 -2.688 -3.353 1.00 1.10 H new ATOM 0 HE ARG A 66 -9.433 -3.181 -3.079 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -6.920 -1.470 -4.921 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -7.880 -1.456 -6.404 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -10.584 -3.224 -4.991 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -9.940 -2.443 -6.438 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.684 -6.411 0.685 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.470 -6.833 1.328 1.00 0.39 C ATOM 1006 C HIS A 67 -4.353 -6.796 0.336 1.00 0.35 C ATOM 1007 O HIS A 67 -4.498 -7.297 -0.786 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.599 -8.248 1.910 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.673 -8.421 2.943 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -6.473 -8.233 4.288 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.958 -8.811 2.814 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -7.584 -8.504 4.939 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -8.503 -8.859 4.070 1.00 0.90 N ATOM 0 H HIS A 67 -7.084 -7.092 0.040 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.265 -6.152 2.154 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.789 -8.943 1.092 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.643 -8.530 2.353 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.465 -9.043 1.889 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -7.718 -8.445 6.009 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -9.462 -9.126 4.293 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.265 -6.199 0.713 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.158 -6.127 -0.164 1.00 0.31 C ATOM 1024 C GLY A 68 -0.895 -5.796 0.562 1.00 0.24 C ATOM 1025 O GLY A 68 -0.892 -5.629 1.792 1.00 0.26 O ATOM 0 H GLY A 68 -3.128 -5.758 1.622 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -2.041 -7.080 -0.681 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.347 -5.372 -0.927 1.00 0.31 H new ATOM 1029 N CYS A 69 0.149 -5.665 -0.187 1.00 0.21 N ATOM 1030 CA CYS A 69 1.450 -5.370 0.325 1.00 0.20 C ATOM 1031 C CYS A 69 2.221 -4.565 -0.691 1.00 0.19 C ATOM 1032 O CYS A 69 2.147 -4.839 -1.901 1.00 0.22 O ATOM 1033 CB CYS A 69 2.216 -6.674 0.639 1.00 0.25 C ATOM 1034 SG CYS A 69 3.997 -6.430 0.970 1.00 0.36 S ATOM 0 H CYS A 69 0.122 -5.763 -1.202 1.00 0.21 H new ATOM 0 HA CYS A 69 1.343 -4.796 1.245 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.758 -7.152 1.505 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.104 -7.360 -0.200 1.00 0.25 H new ATOM 1039 N LEU A 70 2.900 -3.541 -0.231 1.00 0.20 N ATOM 1040 CA LEU A 70 3.821 -2.835 -1.069 1.00 0.22 C ATOM 1041 C LEU A 70 5.096 -3.627 -0.976 1.00 0.23 C ATOM 1042 O LEU A 70 5.828 -3.550 0.024 1.00 0.24 O ATOM 1043 CB LEU A 70 4.040 -1.391 -0.594 1.00 0.24 C ATOM 1044 CG LEU A 70 4.957 -0.522 -1.473 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.375 -0.347 -2.857 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.197 0.831 -0.837 1.00 0.28 C ATOM 0 H LEU A 70 2.827 -3.183 0.721 1.00 0.20 H new ATOM 0 HA LEU A 70 3.450 -2.750 -2.091 1.00 0.22 H new ATOM 0 HB2 LEU A 70 3.068 -0.902 -0.523 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.457 -1.420 0.413 1.00 0.24 H new ATOM 0 HG LEU A 70 5.913 -1.039 -1.561 1.00 0.25 H new ATOM 0 HD11 LEU A 70 5.043 0.271 -3.457 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.261 -1.323 -3.330 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.401 0.137 -2.784 1.00 0.26 H new ATOM 0 HD21 LEU A 70 5.848 1.424 -1.479 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.245 1.347 -0.709 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.671 0.697 0.135 1.00 0.28 H new ATOM 1058 N ARG A 71 5.310 -4.448 -1.948 1.00 0.30 N ATOM 1059 CA ARG A 71 6.398 -5.359 -1.914 1.00 0.35 C ATOM 1060 C ARG A 71 7.572 -4.816 -2.681 1.00 0.36 C ATOM 1061 O ARG A 71 7.461 -4.458 -3.864 1.00 0.42 O ATOM 1062 CB ARG A 71 5.974 -6.739 -2.454 1.00 0.51 C ATOM 1063 CG ARG A 71 7.101 -7.767 -2.484 1.00 1.20 C ATOM 1064 CD ARG A 71 6.650 -9.099 -3.070 1.00 1.20 C ATOM 1065 NE ARG A 71 5.735 -9.869 -2.191 1.00 1.43 N ATOM 1066 CZ ARG A 71 5.010 -10.928 -2.610 1.00 1.80 C ATOM 1067 NH1 ARG A 71 4.886 -11.182 -3.910 1.00 1.98 N ATOM 1068 NH2 ARG A 71 4.379 -11.704 -1.737 1.00 2.68 N ATOM 0 H ARG A 71 4.734 -4.505 -2.788 1.00 0.30 H new ATOM 0 HA ARG A 71 6.704 -5.485 -0.876 1.00 0.35 H new ATOM 0 HB2 ARG A 71 5.161 -7.124 -1.839 1.00 0.51 H new ATOM 0 HB3 ARG A 71 5.580 -6.617 -3.463 1.00 0.51 H new ATOM 0 HG2 ARG A 71 7.931 -7.376 -3.072 1.00 1.20 H new ATOM 0 HG3 ARG A 71 7.473 -7.925 -1.472 1.00 1.20 H new ATOM 0 HD2 ARG A 71 6.152 -8.915 -4.022 1.00 1.20 H new ATOM 0 HD3 ARG A 71 7.530 -9.707 -3.282 1.00 1.20 H new ATOM 0 HE ARG A 71 5.649 -9.582 -1.216 1.00 1.43 H new ATOM 0 HH11 ARG A 71 5.339 -10.576 -4.594 1.00 1.98 H new ATOM 0 HH12 ARG A 71 4.338 -11.983 -4.223 1.00 1.98 H new ATOM 0 HH21 ARG A 71 4.439 -11.503 -0.739 1.00 2.68 H new ATOM 0 HH22 ARG A 71 3.834 -12.502 -2.064 1.00 2.68 H new ATOM 1082 N LEU A 72 8.673 -4.720 -2.007 1.00 0.37 N ATOM 1083 CA LEU A 72 9.883 -4.337 -2.629 1.00 0.42 C ATOM 1084 C LEU A 72 10.693 -5.568 -2.838 1.00 0.44 C ATOM 1085 O LEU A 72 11.182 -6.191 -1.881 1.00 0.49 O ATOM 1086 CB LEU A 72 10.672 -3.270 -1.844 1.00 0.50 C ATOM 1087 CG LEU A 72 10.041 -1.872 -1.791 1.00 0.70 C ATOM 1088 CD1 LEU A 72 8.906 -1.772 -0.780 1.00 1.23 C ATOM 1089 CD2 LEU A 72 11.079 -0.800 -1.562 1.00 0.61 C ATOM 0 H LEU A 72 8.750 -4.907 -1.007 1.00 0.37 H new ATOM 0 HA LEU A 72 9.648 -3.859 -3.580 1.00 0.42 H new ATOM 0 HB2 LEU A 72 10.807 -3.625 -0.822 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.665 -3.183 -2.285 1.00 0.50 H new ATOM 0 HG LEU A 72 9.597 -1.702 -2.772 1.00 0.70 H new ATOM 0 HD11 LEU A 72 8.500 -0.761 -0.788 1.00 1.23 H new ATOM 0 HD12 LEU A 72 8.121 -2.481 -1.043 1.00 1.23 H new ATOM 0 HD13 LEU A 72 9.284 -2.003 0.216 1.00 1.23 H new ATOM 0 HD21 LEU A 72 10.594 0.176 -1.531 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.588 -0.983 -0.616 1.00 0.61 H new ATOM 0 HD23 LEU A 72 11.806 -0.818 -2.374 1.00 0.61 H new ATOM 1101 N ASN A 73 10.789 -5.927 -4.094 1.00 0.56 N ATOM 1102 CA ASN A 73 11.476 -7.121 -4.549 1.00 0.72 C ATOM 1103 C ASN A 73 12.914 -7.073 -4.134 1.00 0.73 C ATOM 1104 O ASN A 73 13.461 -8.049 -3.654 1.00 0.87 O ATOM 1105 CB ASN A 73 11.350 -7.264 -6.073 1.00 0.90 C ATOM 1106 CG ASN A 73 9.921 -7.538 -6.551 1.00 1.41 C ATOM 1107 OD1 ASN A 73 9.180 -8.362 -5.831 1.00 2.18 O flip ATOM 1108 ND2 ASN A 73 9.505 -7.045 -7.596 1.00 1.84 N flip ATOM 0 H ASN A 73 10.381 -5.384 -4.855 1.00 0.56 H new ATOM 0 HA ASN A 73 11.012 -7.994 -4.089 1.00 0.72 H new ATOM 0 HB2 ASN A 73 11.713 -6.351 -6.546 1.00 0.90 H new ATOM 0 HB3 ASN A 73 11.997 -8.075 -6.407 1.00 0.90 H new ATOM 0 HD21 ASN A 73 10.098 -6.412 -8.133 1.00 1.84 H new ATOM 0 HD22 ASN A 73 8.567 -7.269 -7.927 1.00 1.84 H new ATOM 1115 N GLN A 74 13.505 -5.924 -4.287 1.00 0.66 N ATOM 1116 CA GLN A 74 14.849 -5.678 -3.857 1.00 0.72 C ATOM 1117 C GLN A 74 14.874 -4.369 -3.109 1.00 0.66 C ATOM 1118 O GLN A 74 14.384 -3.349 -3.617 1.00 0.69 O ATOM 1119 CB GLN A 74 15.832 -5.679 -5.035 1.00 0.86 C ATOM 1120 CG GLN A 74 16.099 -7.074 -5.592 1.00 1.58 C ATOM 1121 CD GLN A 74 16.916 -7.932 -4.630 1.00 2.11 C ATOM 1122 OE1 GLN A 74 16.381 -8.608 -3.745 1.00 2.82 O ATOM 1123 NE2 GLN A 74 18.211 -7.940 -4.814 1.00 2.58 N ATOM 0 H GLN A 74 13.057 -5.117 -4.722 1.00 0.66 H new ATOM 0 HA GLN A 74 15.174 -6.482 -3.196 1.00 0.72 H new ATOM 0 HB2 GLN A 74 15.437 -5.046 -5.830 1.00 0.86 H new ATOM 0 HB3 GLN A 74 16.775 -5.236 -4.714 1.00 0.86 H new ATOM 0 HG2 GLN A 74 15.150 -7.568 -5.800 1.00 1.58 H new ATOM 0 HG3 GLN A 74 16.629 -6.989 -6.541 1.00 1.58 H new ATOM 0 HE21 GLN A 74 18.625 -7.371 -5.553 1.00 2.58 H new ATOM 0 HE22 GLN A 74 18.807 -8.515 -4.219 1.00 2.58 H new ATOM 1132 N PRO A 75 15.374 -4.386 -1.871 1.00 0.75 N ATOM 1133 CA PRO A 75 15.431 -3.201 -1.027 1.00 0.84 C ATOM 1134 C PRO A 75 16.377 -2.154 -1.580 1.00 0.81 C ATOM 1135 O PRO A 75 17.528 -2.448 -1.925 1.00 0.83 O ATOM 1136 CB PRO A 75 15.962 -3.722 0.307 1.00 1.06 C ATOM 1137 CG PRO A 75 16.650 -4.996 -0.022 1.00 1.25 C ATOM 1138 CD PRO A 75 15.924 -5.573 -1.190 1.00 0.93 C ATOM 0 HA PRO A 75 14.457 -2.716 -0.953 1.00 0.84 H new ATOM 0 HB2 PRO A 75 16.649 -3.009 0.763 1.00 1.06 H new ATOM 0 HB3 PRO A 75 15.152 -3.884 1.018 1.00 1.06 H new ATOM 0 HG2 PRO A 75 17.698 -4.821 -0.263 1.00 1.25 H new ATOM 0 HG3 PRO A 75 16.628 -5.680 0.826 1.00 1.25 H new ATOM 0 HD2 PRO A 75 16.593 -6.136 -1.841 1.00 0.93 H new ATOM 0 HD3 PRO A 75 15.136 -6.257 -0.875 1.00 0.93 H new ATOM 1146 N THR A 76 15.898 -0.958 -1.657 1.00 0.86 N ATOM 1147 CA THR A 76 16.657 0.139 -2.142 1.00 0.90 C ATOM 1148 C THR A 76 16.984 1.070 -0.971 1.00 0.84 C ATOM 1149 O THR A 76 16.161 1.262 -0.065 1.00 0.79 O ATOM 1150 CB THR A 76 15.829 0.882 -3.212 1.00 1.07 C ATOM 1151 OG1 THR A 76 14.491 1.090 -2.722 1.00 1.17 O ATOM 1152 CG2 THR A 76 15.778 0.093 -4.514 1.00 1.22 C ATOM 0 H THR A 76 14.948 -0.713 -1.378 1.00 0.86 H new ATOM 0 HA THR A 76 17.589 -0.205 -2.591 1.00 0.90 H new ATOM 0 HB THR A 76 16.307 1.841 -3.412 1.00 1.07 H new ATOM 0 HG1 THR A 76 14.181 1.982 -2.985 1.00 1.17 H new ATOM 0 HG21 THR A 76 15.188 0.641 -5.249 1.00 1.22 H new ATOM 0 HG22 THR A 76 16.790 -0.048 -4.894 1.00 1.22 H new ATOM 0 HG23 THR A 76 15.319 -0.879 -4.333 1.00 1.22 H new ATOM 1160 N HIS A 77 18.182 1.629 -0.964 1.00 0.92 N ATOM 1161 CA HIS A 77 18.575 2.526 0.114 1.00 0.94 C ATOM 1162 C HIS A 77 18.014 3.901 -0.129 1.00 0.81 C ATOM 1163 O HIS A 77 18.041 4.736 0.741 1.00 0.85 O ATOM 1164 CB HIS A 77 20.112 2.618 0.327 1.00 1.20 C ATOM 1165 CG HIS A 77 20.884 3.414 -0.704 1.00 1.36 C ATOM 1166 ND1 HIS A 77 21.339 4.695 -0.489 1.00 1.98 N ATOM 1167 CD2 HIS A 77 21.277 3.095 -1.937 1.00 1.62 C ATOM 1168 CE1 HIS A 77 21.975 5.119 -1.547 1.00 2.03 C ATOM 1169 NE2 HIS A 77 21.955 4.168 -2.450 1.00 1.72 N ATOM 0 H HIS A 77 18.892 1.482 -1.681 1.00 0.92 H new ATOM 0 HA HIS A 77 18.161 2.099 1.028 1.00 0.94 H new ATOM 0 HB2 HIS A 77 20.296 3.058 1.307 1.00 1.20 H new ATOM 0 HB3 HIS A 77 20.516 1.606 0.351 1.00 1.20 H new ATOM 0 HD2 HIS A 77 21.093 2.158 -2.441 1.00 1.62 H new ATOM 0 HE1 HIS A 77 22.439 6.088 -1.660 1.00 2.03 H new ATOM 0 HE2 HIS A 77 22.374 4.219 -3.378 1.00 1.72 H new ATOM 1178 N VAL A 78 17.528 4.142 -1.332 1.00 0.83 N ATOM 1179 CA VAL A 78 16.963 5.431 -1.617 1.00 0.92 C ATOM 1180 C VAL A 78 15.548 5.571 -1.048 1.00 0.90 C ATOM 1181 O VAL A 78 15.010 6.670 -0.974 1.00 1.08 O ATOM 1182 CB VAL A 78 16.943 5.805 -3.126 1.00 1.15 C ATOM 1183 CG1 VAL A 78 18.339 5.923 -3.685 1.00 1.33 C ATOM 1184 CG2 VAL A 78 16.117 4.829 -3.940 1.00 1.14 C ATOM 0 H VAL A 78 17.516 3.476 -2.105 1.00 0.83 H new ATOM 0 HA VAL A 78 17.635 6.131 -1.121 1.00 0.92 H new ATOM 0 HB VAL A 78 16.466 6.782 -3.202 1.00 1.15 H new ATOM 0 HG11 VAL A 78 18.287 6.185 -4.742 1.00 1.33 H new ATOM 0 HG12 VAL A 78 18.883 6.698 -3.145 1.00 1.33 H new ATOM 0 HG13 VAL A 78 18.858 4.971 -3.573 1.00 1.33 H new ATOM 0 HG21 VAL A 78 16.130 5.127 -4.988 1.00 1.14 H new ATOM 0 HG22 VAL A 78 16.537 3.828 -3.843 1.00 1.14 H new ATOM 0 HG23 VAL A 78 15.090 4.829 -3.575 1.00 1.14 H new ATOM 1194 N ASN A 79 14.951 4.457 -0.633 1.00 0.78 N ATOM 1195 CA ASN A 79 13.569 4.488 -0.162 1.00 0.90 C ATOM 1196 C ASN A 79 13.425 4.299 1.330 1.00 0.78 C ATOM 1197 O ASN A 79 12.363 3.928 1.820 1.00 0.96 O ATOM 1198 CB ASN A 79 12.664 3.514 -0.914 1.00 1.13 C ATOM 1199 CG ASN A 79 12.372 3.969 -2.327 1.00 1.40 C ATOM 1200 OD1 ASN A 79 13.166 3.528 -3.239 1.00 2.19 O flip ATOM 1201 ND2 ASN A 79 11.409 4.702 -2.588 1.00 1.22 N flip ATOM 0 H ASN A 79 15.392 3.538 -0.613 1.00 0.78 H new ATOM 0 HA ASN A 79 13.235 5.501 -0.385 1.00 0.90 H new ATOM 0 HB2 ASN A 79 13.136 2.532 -0.942 1.00 1.13 H new ATOM 0 HB3 ASN A 79 11.726 3.401 -0.371 1.00 1.13 H new ATOM 0 HD21 ASN A 79 10.801 5.032 -1.838 1.00 1.22 H new ATOM 0 HD22 ASN A 79 11.223 4.976 -3.553 1.00 1.22 H new ATOM 1208 N ASN A 80 14.459 4.589 2.067 1.00 0.64 N ATOM 1209 CA ASN A 80 14.413 4.435 3.521 1.00 0.59 C ATOM 1210 C ASN A 80 13.842 5.682 4.207 1.00 0.56 C ATOM 1211 O ASN A 80 14.507 6.354 5.009 1.00 0.88 O ATOM 1212 CB ASN A 80 15.781 4.020 4.111 1.00 0.72 C ATOM 1213 CG ASN A 80 16.950 4.877 3.646 1.00 1.05 C ATOM 1214 OD1 ASN A 80 16.816 6.053 3.330 1.00 1.96 O ATOM 1215 ND2 ASN A 80 18.105 4.297 3.608 1.00 1.43 N ATOM 0 H ASN A 80 15.347 4.933 1.702 1.00 0.64 H new ATOM 0 HA ASN A 80 13.727 3.614 3.729 1.00 0.59 H new ATOM 0 HB2 ASN A 80 15.723 4.065 5.199 1.00 0.72 H new ATOM 0 HB3 ASN A 80 15.978 2.982 3.845 1.00 0.72 H new ATOM 0 HD21 ASN A 80 18.929 4.820 3.310 1.00 1.43 H new ATOM 0 HD22 ASN A 80 18.192 3.317 3.876 1.00 1.43 H new ATOM 1222 N GLY A 81 12.596 5.949 3.923 1.00 0.46 N ATOM 1223 CA GLY A 81 11.935 7.107 4.455 1.00 0.49 C ATOM 1224 C GLY A 81 10.503 6.823 4.813 1.00 0.43 C ATOM 1225 O GLY A 81 10.154 5.686 5.170 1.00 0.40 O ATOM 0 H GLY A 81 12.013 5.371 3.318 1.00 0.46 H new ATOM 0 HA2 GLY A 81 12.468 7.454 5.340 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.973 7.914 3.723 1.00 0.49 H new ATOM 1229 N ASN A 82 9.674 7.818 4.680 1.00 0.45 N ATOM 1230 CA ASN A 82 8.297 7.733 5.096 1.00 0.44 C ATOM 1231 C ASN A 82 7.341 7.538 3.923 1.00 0.37 C ATOM 1232 O ASN A 82 7.222 8.402 3.033 1.00 0.46 O ATOM 1233 CB ASN A 82 7.924 8.997 5.873 1.00 0.56 C ATOM 1234 CG ASN A 82 6.506 8.987 6.406 1.00 1.27 C ATOM 1235 OD1 ASN A 82 5.935 7.933 6.714 1.00 2.23 O ATOM 1236 ND2 ASN A 82 5.934 10.152 6.537 1.00 1.65 N ATOM 0 H ASN A 82 9.933 8.719 4.278 1.00 0.45 H new ATOM 0 HA ASN A 82 8.198 6.854 5.734 1.00 0.44 H new ATOM 0 HB2 ASN A 82 8.615 9.118 6.707 1.00 0.56 H new ATOM 0 HB3 ASN A 82 8.053 9.863 5.224 1.00 0.56 H new ATOM 0 HD21 ASN A 82 4.984 10.216 6.904 1.00 1.65 H new ATOM 0 HD22 ASN A 82 6.436 10.999 6.272 1.00 1.65 H new ATOM 1243 N TYR A 83 6.669 6.411 3.925 1.00 0.29 N ATOM 1244 CA TYR A 83 5.644 6.116 2.963 1.00 0.27 C ATOM 1245 C TYR A 83 4.301 6.491 3.552 1.00 0.28 C ATOM 1246 O TYR A 83 4.056 6.313 4.741 1.00 0.47 O ATOM 1247 CB TYR A 83 5.624 4.631 2.567 1.00 0.34 C ATOM 1248 CG TYR A 83 6.705 4.189 1.606 1.00 0.38 C ATOM 1249 CD1 TYR A 83 6.622 4.450 0.242 1.00 0.60 C ATOM 1250 CD2 TYR A 83 7.835 3.531 2.077 1.00 0.49 C ATOM 1251 CE1 TYR A 83 7.639 4.067 -0.617 1.00 0.69 C ATOM 1252 CE2 TYR A 83 8.845 3.143 1.226 1.00 0.55 C ATOM 1253 CZ TYR A 83 8.637 3.342 -0.204 1.00 0.60 C ATOM 1254 OH TYR A 83 9.761 3.040 -0.955 1.00 0.69 O ATOM 0 H TYR A 83 6.824 5.667 4.605 1.00 0.29 H new ATOM 0 HA TYR A 83 5.854 6.693 2.062 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.704 4.032 3.474 1.00 0.34 H new ATOM 0 HB3 TYR A 83 4.655 4.407 2.121 1.00 0.34 H new ATOM 0 HD1 TYR A 83 5.754 4.958 -0.152 1.00 0.60 H new ATOM 0 HD2 TYR A 83 7.922 3.320 3.133 1.00 0.49 H new ATOM 0 HE1 TYR A 83 7.603 4.377 -1.651 1.00 0.69 H new ATOM 0 HE2 TYR A 83 9.758 2.707 1.603 1.00 0.55 H new ATOM 0 HH TYR A 83 10.114 2.168 -0.680 1.00 0.69 H new ATOM 1264 N THR A 84 3.469 7.039 2.756 1.00 0.22 N ATOM 1265 CA THR A 84 2.161 7.423 3.159 1.00 0.23 C ATOM 1266 C THR A 84 1.164 6.845 2.170 1.00 0.22 C ATOM 1267 O THR A 84 1.338 6.994 0.961 1.00 0.26 O ATOM 1268 CB THR A 84 2.065 8.960 3.183 1.00 0.27 C ATOM 1269 OG1 THR A 84 3.110 9.476 4.039 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.701 9.434 3.682 1.00 0.33 C ATOM 0 H THR A 84 3.677 7.242 1.778 1.00 0.22 H new ATOM 0 HA THR A 84 1.942 7.046 4.158 1.00 0.23 H new ATOM 0 HB THR A 84 2.186 9.333 2.166 1.00 0.27 H new ATOM 0 HG1 THR A 84 3.061 10.455 4.062 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.673 10.524 3.684 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.080 9.052 3.024 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.535 9.065 4.694 1.00 0.33 H new ATOM 1278 N LEU A 85 0.179 6.153 2.667 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.826 5.579 1.816 1.00 0.19 C ATOM 1280 C LEU A 85 -2.061 6.436 1.867 1.00 0.18 C ATOM 1281 O LEU A 85 -2.579 6.726 2.953 1.00 0.19 O ATOM 1282 CB LEU A 85 -1.145 4.135 2.232 1.00 0.20 C ATOM 1283 CG LEU A 85 -2.179 3.383 1.387 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.739 3.325 -0.045 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.359 1.982 1.908 1.00 0.22 C ATOM 0 H LEU A 85 0.049 5.971 3.662 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.451 5.546 0.793 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.216 3.565 2.218 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.495 4.149 3.264 1.00 0.20 H new ATOM 0 HG LEU A 85 -3.127 3.917 1.451 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.483 2.788 -0.633 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.631 4.338 -0.434 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.782 2.807 -0.111 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -3.096 1.459 1.299 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.408 1.452 1.862 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.703 2.020 2.941 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.474 6.891 0.721 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.654 7.695 0.577 1.00 0.22 C ATOM 1299 C LEU A 86 -4.698 6.856 -0.110 1.00 0.22 C ATOM 1300 O LEU A 86 -4.399 6.199 -1.113 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.396 8.957 -0.299 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.354 10.002 0.166 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.606 10.459 1.586 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -0.922 9.519 -0.022 1.00 0.32 C ATOM 0 H LEU A 86 -1.991 6.710 -0.159 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.971 8.026 1.566 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -3.095 8.613 -1.289 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.348 9.474 -0.417 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.480 10.870 -0.481 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -1.852 11.192 1.872 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.595 10.912 1.652 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.553 9.603 2.259 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.230 10.289 0.320 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.766 8.609 0.557 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.743 9.313 -1.077 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.878 6.836 0.420 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.958 6.139 -0.227 1.00 0.23 C ATOM 1318 C ALA A 87 -8.036 7.128 -0.551 1.00 0.29 C ATOM 1319 O ALA A 87 -8.583 7.766 0.347 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.499 5.044 0.666 1.00 0.24 C ATOM 0 H ALA A 87 -6.125 7.292 1.298 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.595 5.671 -1.142 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.315 4.530 0.158 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.705 4.332 0.890 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.868 5.480 1.594 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.343 7.249 -1.811 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.338 8.186 -2.269 1.00 0.45 C ATOM 1328 C ALA A 88 -10.682 7.500 -2.437 1.00 0.37 C ATOM 1329 O ALA A 88 -10.835 6.579 -3.262 1.00 0.37 O ATOM 1330 CB ALA A 88 -8.889 8.829 -3.570 1.00 0.61 C ATOM 0 H ALA A 88 -7.911 6.701 -2.555 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.454 8.969 -1.520 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.648 9.535 -3.908 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -7.948 9.356 -3.410 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.748 8.058 -4.327 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.632 7.911 -1.648 1.00 0.49 N ATOM 1337 CA ASN A 89 -12.967 7.362 -1.678 1.00 0.58 C ATOM 1338 C ASN A 89 -13.960 8.520 -1.634 1.00 0.57 C ATOM 1339 O ASN A 89 -13.579 9.584 -1.145 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.156 6.426 -0.452 1.00 0.86 C ATOM 1341 CG ASN A 89 -14.534 5.789 -0.342 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -15.443 6.352 0.249 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -14.697 4.617 -0.883 1.00 1.18 N ATOM 0 H ASN A 89 -11.505 8.647 -0.954 1.00 0.49 H new ATOM 0 HA ASN A 89 -13.132 6.781 -2.585 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -12.408 5.635 -0.498 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.961 6.996 0.456 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -15.600 4.147 -0.819 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -13.922 4.168 -1.371 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.179 8.414 -2.212 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.200 9.476 -2.110 1.00 0.68 C ATOM 1352 C PRO A 90 -16.351 10.008 -0.661 1.00 0.56 C ATOM 1353 O PRO A 90 -16.395 11.228 -0.436 1.00 0.63 O ATOM 1354 CB PRO A 90 -17.499 8.785 -2.574 1.00 0.81 C ATOM 1355 CG PRO A 90 -17.128 7.354 -2.850 1.00 1.00 C ATOM 1356 CD PRO A 90 -15.647 7.323 -3.068 1.00 0.74 C ATOM 0 HA PRO A 90 -15.937 10.349 -2.708 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -18.270 8.848 -1.806 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -17.899 9.264 -3.468 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -17.409 6.714 -2.013 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -17.655 6.981 -3.728 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -15.214 6.366 -2.779 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -15.387 7.487 -4.114 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.342 9.080 0.302 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.452 9.384 1.736 1.00 0.50 C ATOM 1366 C CYS A 91 -15.352 10.340 2.206 1.00 0.46 C ATOM 1367 O CYS A 91 -15.586 11.175 3.080 1.00 0.61 O ATOM 1368 CB CYS A 91 -16.408 8.077 2.545 1.00 0.61 C ATOM 1369 SG CYS A 91 -16.293 8.263 4.354 1.00 1.10 S ATOM 0 H CYS A 91 -16.257 8.083 0.106 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.405 9.886 1.901 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -17.304 7.500 2.315 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -15.555 7.490 2.205 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.188 10.238 1.599 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.068 11.058 1.953 1.00 0.58 C ATOM 1376 C GLY A 92 -11.787 10.333 1.647 1.00 0.49 C ATOM 1377 O GLY A 92 -11.820 9.189 1.155 1.00 0.59 O ATOM 0 H GLY A 92 -14.000 9.578 0.844 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.105 11.997 1.402 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.110 11.309 3.013 1.00 0.58 H new ATOM 1381 N GLN A 93 -10.687 10.972 1.892 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.401 10.369 1.692 1.00 0.42 C ATOM 1383 C GLN A 93 -8.788 10.031 3.039 1.00 0.41 C ATOM 1384 O GLN A 93 -8.755 10.870 3.947 1.00 0.56 O ATOM 1385 CB GLN A 93 -8.466 11.292 0.881 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.067 10.715 0.661 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.169 11.604 -0.174 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -6.117 11.487 -1.394 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -5.465 12.495 0.465 1.00 1.33 N ATOM 0 H GLN A 93 -10.652 11.931 2.238 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.531 9.453 1.115 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -8.922 11.494 -0.088 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -8.377 12.248 1.397 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -6.597 10.545 1.630 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.156 9.743 0.175 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -5.532 12.566 1.480 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -4.847 13.122 -0.050 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.336 8.821 3.178 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.689 8.382 4.393 1.00 0.33 C ATOM 1400 C ALA A 94 -6.198 8.346 4.170 1.00 0.31 C ATOM 1401 O ALA A 94 -5.743 8.180 3.023 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.182 7.009 4.792 1.00 0.37 C ATOM 0 H ALA A 94 -8.402 8.104 2.455 1.00 0.30 H new ATOM 0 HA ALA A 94 -7.927 9.078 5.197 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.683 6.696 5.709 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.259 7.043 4.958 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -7.960 6.297 3.997 1.00 0.37 H new ATOM 1408 N SER A 95 -5.439 8.512 5.222 1.00 0.36 N ATOM 1409 CA SER A 95 -4.011 8.479 5.123 1.00 0.37 C ATOM 1410 C SER A 95 -3.394 7.769 6.312 1.00 0.38 C ATOM 1411 O SER A 95 -3.941 7.797 7.426 1.00 0.57 O ATOM 1412 CB SER A 95 -3.452 9.899 4.965 1.00 0.43 C ATOM 1413 OG SER A 95 -3.954 10.782 5.965 1.00 0.50 O ATOM 0 H SER A 95 -5.795 8.673 6.164 1.00 0.36 H new ATOM 0 HA SER A 95 -3.743 7.909 4.233 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.364 9.869 5.020 1.00 0.43 H new ATOM 0 HB3 SER A 95 -3.711 10.283 3.978 1.00 0.43 H new ATOM 0 HG SER A 95 -3.574 11.676 5.833 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.307 7.092 6.064 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.551 6.420 7.089 1.00 0.27 C ATOM 1421 C ALA A 96 -0.078 6.581 6.758 1.00 0.23 C ATOM 1422 O ALA A 96 0.269 6.716 5.571 1.00 0.26 O ATOM 1423 CB ALA A 96 -1.951 4.960 7.161 1.00 0.30 C ATOM 0 H ALA A 96 -1.913 6.989 5.129 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.752 6.854 8.069 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.373 4.462 7.939 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.013 4.885 7.394 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -1.755 4.481 6.202 1.00 0.30 H new ATOM 1429 N SER A 97 0.774 6.564 7.750 1.00 0.26 N ATOM 1430 CA SER A 97 2.170 6.841 7.553 1.00 0.28 C ATOM 1431 C SER A 97 3.013 5.649 8.055 1.00 0.25 C ATOM 1432 O SER A 97 2.852 5.200 9.192 1.00 0.38 O ATOM 1433 CB SER A 97 2.496 8.123 8.341 1.00 0.41 C ATOM 1434 OG SER A 97 3.671 8.783 7.878 1.00 1.26 O ATOM 0 H SER A 97 0.518 6.358 8.716 1.00 0.26 H new ATOM 0 HA SER A 97 2.402 6.984 6.498 1.00 0.28 H new ATOM 0 HB2 SER A 97 1.651 8.808 8.273 1.00 0.41 H new ATOM 0 HB3 SER A 97 2.619 7.873 9.395 1.00 0.41 H new ATOM 0 HG SER A 97 4.278 8.127 7.477 1.00 1.26 H new ATOM 1440 N ILE A 98 3.896 5.147 7.227 1.00 0.25 N ATOM 1441 CA ILE A 98 4.733 4.018 7.596 1.00 0.28 C ATOM 1442 C ILE A 98 6.172 4.304 7.150 1.00 0.28 C ATOM 1443 O ILE A 98 6.429 4.611 5.987 1.00 0.30 O ATOM 1444 CB ILE A 98 4.148 2.656 6.999 1.00 0.36 C ATOM 1445 CG1 ILE A 98 4.854 1.368 7.539 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.117 2.653 5.470 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.263 1.092 7.033 1.00 0.37 C ATOM 0 H ILE A 98 4.059 5.502 6.285 1.00 0.25 H new ATOM 0 HA ILE A 98 4.737 3.887 8.678 1.00 0.28 H new ATOM 0 HB ILE A 98 3.121 2.621 7.361 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.890 1.432 8.627 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.230 0.510 7.291 1.00 0.72 H new ATOM 0 HG21 ILE A 98 3.711 1.705 5.116 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.489 3.471 5.117 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.129 2.781 5.085 1.00 0.39 H new ATOM 0 HD11 ILE A 98 6.637 0.172 7.483 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.246 0.985 5.948 1.00 0.37 H new ATOM 0 HD13 ILE A 98 6.916 1.921 7.305 1.00 0.37 H new ATOM 1459 N MET A 99 7.093 4.255 8.070 1.00 0.34 N ATOM 1460 CA MET A 99 8.465 4.543 7.738 1.00 0.41 C ATOM 1461 C MET A 99 9.246 3.271 7.608 1.00 0.40 C ATOM 1462 O MET A 99 9.504 2.570 8.596 1.00 0.51 O ATOM 1463 CB MET A 99 9.114 5.480 8.751 1.00 0.59 C ATOM 1464 CG MET A 99 8.387 6.797 8.905 1.00 0.85 C ATOM 1465 SD MET A 99 9.293 7.999 9.898 1.00 1.25 S ATOM 1466 CE MET A 99 10.700 8.322 8.820 1.00 1.18 C ATOM 0 H MET A 99 6.925 4.021 9.048 1.00 0.34 H new ATOM 0 HA MET A 99 8.471 5.059 6.778 1.00 0.41 H new ATOM 0 HB2 MET A 99 9.157 4.982 9.720 1.00 0.59 H new ATOM 0 HB3 MET A 99 10.142 5.675 8.447 1.00 0.59 H new ATOM 0 HG2 MET A 99 8.200 7.219 7.917 1.00 0.85 H new ATOM 0 HG3 MET A 99 7.415 6.616 9.363 1.00 0.85 H new ATOM 0 HE1 MET A 99 10.983 9.372 8.896 1.00 1.18 H new ATOM 0 HE2 MET A 99 11.541 7.697 9.122 1.00 1.18 H new ATOM 0 HE3 MET A 99 10.429 8.093 7.789 1.00 1.18 H new ATOM 1476 N ALA A 100 9.629 2.966 6.411 1.00 0.42 N ATOM 1477 CA ALA A 100 10.333 1.750 6.129 1.00 0.48 C ATOM 1478 C ALA A 100 11.826 1.989 6.133 1.00 0.48 C ATOM 1479 O ALA A 100 12.313 2.981 5.580 1.00 0.57 O ATOM 1480 CB ALA A 100 9.885 1.178 4.797 1.00 0.58 C ATOM 0 H ALA A 100 9.463 3.554 5.594 1.00 0.42 H new ATOM 0 HA ALA A 100 10.102 1.025 6.910 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.428 0.255 4.596 1.00 0.58 H new ATOM 0 HB2 ALA A 100 8.816 0.970 4.832 1.00 0.58 H new ATOM 0 HB3 ALA A 100 10.089 1.898 4.005 1.00 0.58 H new ATOM 1486 N ALA A 101 12.537 1.130 6.791 1.00 0.56 N ATOM 1487 CA ALA A 101 13.963 1.195 6.833 1.00 0.65 C ATOM 1488 C ALA A 101 14.505 -0.140 6.408 1.00 0.66 C ATOM 1489 O ALA A 101 14.492 -1.102 7.164 1.00 0.77 O ATOM 1490 CB ALA A 101 14.447 1.551 8.228 1.00 0.84 C ATOM 0 H ALA A 101 12.139 0.354 7.321 1.00 0.56 H new ATOM 0 HA ALA A 101 14.318 1.974 6.158 1.00 0.65 H new ATOM 0 HB1 ALA A 101 15.536 1.595 8.235 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.043 2.521 8.517 1.00 0.84 H new ATOM 0 HB3 ALA A 101 14.110 0.793 8.935 1.00 0.84 H new ATOM 1496 N PHE A 102 14.921 -0.194 5.178 1.00 0.75 N ATOM 1497 CA PHE A 102 15.503 -1.394 4.594 1.00 0.87 C ATOM 1498 C PHE A 102 16.939 -1.501 5.085 1.00 1.20 C ATOM 1499 O PHE A 102 17.265 -2.332 5.920 1.00 2.05 O ATOM 1500 CB PHE A 102 15.442 -1.290 3.060 1.00 0.97 C ATOM 1501 CG PHE A 102 14.082 -0.868 2.569 1.00 1.69 C ATOM 1502 CD1 PHE A 102 13.036 -1.761 2.529 1.00 2.20 C ATOM 1503 CD2 PHE A 102 13.852 0.437 2.178 1.00 2.45 C ATOM 1504 CE1 PHE A 102 11.784 -1.369 2.114 1.00 3.25 C ATOM 1505 CE2 PHE A 102 12.606 0.834 1.756 1.00 3.51 C ATOM 1506 CZ PHE A 102 11.570 -0.069 1.726 1.00 3.86 C ATOM 0 H PHE A 102 14.871 0.596 4.534 1.00 0.75 H new ATOM 0 HA PHE A 102 14.954 -2.288 4.891 1.00 0.87 H new ATOM 0 HB2 PHE A 102 16.188 -0.573 2.717 1.00 0.97 H new ATOM 0 HB3 PHE A 102 15.701 -2.254 2.622 1.00 0.97 H new ATOM 0 HD1 PHE A 102 13.200 -2.786 2.828 1.00 2.20 H new ATOM 0 HD2 PHE A 102 14.660 1.153 2.204 1.00 2.45 H new ATOM 0 HE1 PHE A 102 10.972 -2.081 2.093 1.00 3.25 H new ATOM 0 HE2 PHE A 102 12.441 1.856 1.448 1.00 3.51 H new ATOM 0 HZ PHE A 102 10.590 0.243 1.398 1.00 3.86 H new