USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 826 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: B 14 LYS NZ :NH3+ 164:sc= 1.93 (180deg=0.197) USER MOD Set 1.2: B 81 ASN : amide:sc= 1.45 K(o=5.6,f=-11!) USER MOD Set 1.3: B 84 THR OG1 : rot 157:sc= 2.19 USER MOD Set 2.1: B 62 LYS NZ :NH3+ -120:sc= 0.00488 (180deg=0) USER MOD Set 2.2: B 78 HIS : no HD1:sc= -4.31! C(o=-4.3!,f=-4.8!) USER MOD Set 3.1: A 52 GLN :FLIP amide:sc= -10.3! C(o=-19!,f=-16!) USER MOD Set 3.2: B 56 SER OG : rot 75:sc= 3.14 USER MOD Set 3.3: B 64 GLN : amide:sc= -8.8! C(o=-16!,f=-17!) USER MOD Single : B 13 LYS NZ :NH3+ -171:sc= 0.75 (180deg=0.533) USER MOD Single : B 17 GLN : amide:sc= -2.9! C(o=-2.9!,f=-5.2!) USER MOD Single : B 18 LYS NZ :NH3+ 148:sc= 2.22 (180deg=-0.467) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN : amide:sc= 0.181 X(o=0.18,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 42 THR OG1 : rot 177:sc=-0.00611 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= -1.02 K(o=-1,f=-1.6) USER MOD Single : B 46 MET CE :methyl -156:sc= -0.104 (180deg=-0.6) USER MOD Single : B 47 TYR OH : rot 125:sc= 1.23 USER MOD Single : B 51 LYS NZ :NH3+ 168:sc= 1.22 (180deg=1.09) USER MOD Single : B 52 CYS SG : rot 180:sc= -3.45! USER MOD Single : B 53 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.3!) USER MOD Single : B 54 LYS NZ :NH3+ 147:sc= 1.18 (180deg=1.13) USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc= -2.7! C(o=-2.7!,f=-5.5!) USER MOD Single : B 70 HIS :FLIP no HD1:sc= -1.44 F(o=-3.5!,f=-1.4) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 75 THR OG1 : rot -160:sc= -0.343 USER MOD Single : B 76 ASN : amide:sc= -1.8 K(o=-1.8,f=-4.8!) USER MOD Single : B 80 SER OG : rot 48:sc= 0.617 USER MOD Single : B 83 SER OG : rot 180:sc= 0.141 USER MOD Single : B 87 LYS NZ :NH3+ 176:sc= 1.1 (180deg=1.07) USER MOD Single : B 93 LYS NZ :NH3+ -137:sc= 2.33 (180deg=1.62) USER MOD Single : B 97 GLN : amide:sc= 0.402 X(o=0.4,f=-0.077) USER MOD Single : B 98 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : B 102 LYS NZ :NH3+ -157:sc= 1.25 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 134 N ILE A 50 -0.828 8.639 13.994 1.00 0.00 N ATOM 135 CA ILE A 50 -1.774 8.226 13.015 1.00 0.00 C ATOM 136 C ILE A 50 -2.308 6.812 13.251 1.00 0.00 C ATOM 137 O ILE A 50 -1.654 5.802 13.006 1.00 0.00 O ATOM 138 CB ILE A 50 -1.153 8.438 11.614 1.00 0.00 C ATOM 139 CG1 ILE A 50 -1.751 9.682 10.980 1.00 0.00 C ATOM 140 CG2 ILE A 50 -1.328 7.256 10.698 1.00 0.00 C ATOM 141 CD1 ILE A 50 -0.937 10.203 9.832 1.00 0.00 C ATOM 0 HA ILE A 50 -2.668 8.845 13.094 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.079 8.559 11.756 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.759 9.457 10.631 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.842 10.461 11.737 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.869 7.472 9.733 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.851 6.381 11.138 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.391 7.058 10.558 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.415 11.092 9.421 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.064 10.458 10.181 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.867 9.438 9.059 1.00 0.00 H new ATOM 153 N GLU A 51 -3.495 6.805 13.821 1.00 0.00 N ATOM 154 CA GLU A 51 -4.280 5.605 14.088 1.00 0.00 C ATOM 155 C GLU A 51 -5.749 6.024 14.112 1.00 0.00 C ATOM 156 O GLU A 51 -6.518 5.661 14.995 1.00 0.00 O ATOM 157 CB GLU A 51 -3.880 4.907 15.390 1.00 0.00 C ATOM 158 CG GLU A 51 -2.852 3.802 15.191 1.00 0.00 C ATOM 159 CD GLU A 51 -3.179 2.910 14.004 1.00 0.00 C ATOM 160 OE1 GLU A 51 -4.227 2.231 14.036 1.00 0.00 O ATOM 161 OE2 GLU A 51 -2.395 2.896 13.034 1.00 0.00 O ATOM 0 H GLU A 51 -3.961 7.661 14.124 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.094 4.870 13.305 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.478 5.647 16.082 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.770 4.485 15.856 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.868 4.247 15.046 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.797 3.194 16.094 1.00 0.00 H new ATOM 168 N GLN A 52 -6.094 6.834 13.114 1.00 0.00 N ATOM 169 CA GLN A 52 -7.439 7.381 12.932 1.00 0.00 C ATOM 170 C GLN A 52 -8.044 6.826 11.677 1.00 0.00 C ATOM 171 O GLN A 52 -8.731 7.508 10.918 1.00 0.00 O ATOM 172 CB GLN A 52 -7.369 8.918 12.869 1.00 0.00 C ATOM 173 CG GLN A 52 -6.590 9.535 11.672 1.00 0.00 C ATOM 174 CD GLN A 52 -5.793 8.563 10.794 1.00 0.00 C ATOM 175 OE1 GLN A 52 -4.551 8.274 11.155 1.00 0.00 O flip ATOM 176 NE2 GLN A 52 -6.282 8.088 9.778 1.00 0.00 N flip ATOM 0 H GLN A 52 -5.436 7.135 12.395 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.068 7.096 13.776 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.388 9.304 12.847 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.913 9.276 13.792 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.303 10.061 11.037 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.901 10.283 12.064 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.240 8.322 9.516 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.732 7.458 9.193 1.00 0.00 H new ATOM 185 N TRP A 53 -7.819 5.568 11.517 1.00 0.00 N ATOM 186 CA TRP A 53 -8.206 4.878 10.336 1.00 0.00 C ATOM 187 C TRP A 53 -9.568 4.256 10.400 1.00 0.00 C ATOM 188 O TRP A 53 -10.249 4.247 11.421 1.00 0.00 O ATOM 189 CB TRP A 53 -7.202 3.774 10.099 1.00 0.00 C ATOM 190 CG TRP A 53 -5.789 4.245 10.107 1.00 0.00 C ATOM 191 CD1 TRP A 53 -5.088 4.758 11.144 1.00 0.00 C ATOM 192 CD2 TRP A 53 -4.926 4.238 9.007 1.00 0.00 C ATOM 193 NE1 TRP A 53 -3.808 5.080 10.734 1.00 0.00 N ATOM 194 CE2 TRP A 53 -3.691 4.763 9.404 1.00 0.00 C ATOM 195 CE3 TRP A 53 -5.102 3.829 7.717 1.00 0.00 C ATOM 196 CZ2 TRP A 53 -2.625 4.886 8.505 1.00 0.00 C ATOM 197 CZ3 TRP A 53 -4.082 3.942 6.844 1.00 0.00 C ATOM 198 CH2 TRP A 53 -2.854 4.463 7.226 1.00 0.00 C ATOM 0 H TRP A 53 -7.355 4.982 12.211 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.237 5.616 9.535 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.326 3.010 10.866 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.414 3.301 9.140 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.472 4.896 12.144 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.076 5.484 11.319 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.049 3.419 7.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.672 5.294 8.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.223 3.620 5.823 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.061 4.536 6.496 1.00 0.00 H new ATOM 209 N PHE A 54 -9.947 3.792 9.239 1.00 0.00 N ATOM 210 CA PHE A 54 -11.149 3.050 9.040 1.00 0.00 C ATOM 211 C PHE A 54 -10.657 1.712 8.614 1.00 0.00 C ATOM 212 O PHE A 54 -10.308 1.528 7.445 1.00 0.00 O ATOM 213 CB PHE A 54 -12.013 3.649 7.947 1.00 0.00 C ATOM 214 CG PHE A 54 -12.104 5.132 8.005 1.00 0.00 C ATOM 215 CD1 PHE A 54 -12.355 5.777 9.201 1.00 0.00 C ATOM 216 CD2 PHE A 54 -11.960 5.881 6.858 1.00 0.00 C ATOM 217 CE1 PHE A 54 -12.471 7.136 9.248 1.00 0.00 C ATOM 218 CE2 PHE A 54 -12.065 7.239 6.894 1.00 0.00 C ATOM 219 CZ PHE A 54 -12.329 7.878 8.094 1.00 0.00 C ATOM 0 H PHE A 54 -9.407 3.928 8.384 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.771 3.034 9.935 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.612 3.356 6.977 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.016 3.229 8.017 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.460 5.200 10.108 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.761 5.386 5.919 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.674 7.630 10.187 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -11.943 7.816 5.989 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.423 8.953 8.126 1.00 0.00 H new ATOM 246 N GLU A 56 -10.704 -0.979 7.060 1.00 0.00 N ATOM 247 CA GLU A 56 -11.413 -1.656 5.988 1.00 0.00 C ATOM 248 C GLU A 56 -11.423 -3.160 6.193 1.00 0.00 C ATOM 249 O GLU A 56 -12.469 -3.806 6.156 1.00 0.00 O ATOM 250 CB GLU A 56 -10.720 -1.335 4.676 1.00 0.00 C ATOM 251 CG GLU A 56 -11.159 -0.011 4.065 1.00 0.00 C ATOM 252 CD GLU A 56 -11.422 -0.128 2.583 1.00 0.00 C ATOM 253 OE1 GLU A 56 -10.894 -1.077 1.963 1.00 0.00 O ATOM 254 OE2 GLU A 56 -12.147 0.728 2.033 1.00 0.00 O ATOM 0 HA GLU A 56 -12.447 -1.311 5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.643 -1.311 4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.917 -2.137 3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.062 0.337 4.566 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.389 0.740 4.238 1.00 0.00 H new ATOM 261 N ASP A 57 -10.243 -3.702 6.407 1.00 0.00 N ATOM 262 CA ASP A 57 -10.082 -5.122 6.634 1.00 0.00 C ATOM 263 C ASP A 57 -9.626 -5.340 8.066 1.00 0.00 C ATOM 264 O ASP A 57 -8.575 -4.844 8.461 1.00 0.00 O ATOM 265 CB ASP A 57 -9.080 -5.702 5.626 1.00 0.00 C ATOM 266 CG ASP A 57 -8.769 -7.171 5.848 1.00 0.00 C ATOM 267 OD1 ASP A 57 -8.236 -7.516 6.919 1.00 0.00 O ATOM 268 OD2 ASP A 57 -9.016 -7.983 4.932 1.00 0.00 O ATOM 0 H ASP A 57 -9.371 -3.173 6.428 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.030 -5.640 6.488 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.476 -5.572 4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.153 -5.132 5.680 1.00 0.00 H new ATOM 415 N GLU B 7 4.186 -9.223 -12.519 1.00 0.00 N ATOM 416 CA GLU B 7 3.215 -8.304 -13.088 1.00 0.00 C ATOM 417 C GLU B 7 3.021 -7.094 -12.186 1.00 0.00 C ATOM 418 O GLU B 7 3.041 -7.203 -10.955 1.00 0.00 O ATOM 419 CB GLU B 7 1.873 -9.006 -13.315 1.00 0.00 C ATOM 420 CG GLU B 7 0.815 -8.110 -13.944 1.00 0.00 C ATOM 421 CD GLU B 7 1.225 -7.597 -15.312 1.00 0.00 C ATOM 422 OE1 GLU B 7 2.046 -6.653 -15.371 1.00 0.00 O ATOM 423 OE2 GLU B 7 0.732 -8.138 -16.322 1.00 0.00 O ATOM 0 HA GLU B 7 3.601 -7.964 -14.049 1.00 0.00 H new ATOM 0 HB2 GLU B 7 2.030 -9.874 -13.956 1.00 0.00 H new ATOM 0 HB3 GLU B 7 1.501 -9.378 -12.360 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.119 -8.664 -14.033 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.622 -7.263 -13.285 1.00 0.00 H new ATOM 430 N VAL B 8 2.825 -5.943 -12.806 1.00 0.00 N ATOM 431 CA VAL B 8 2.611 -4.709 -12.083 1.00 0.00 C ATOM 432 C VAL B 8 1.136 -4.347 -12.152 1.00 0.00 C ATOM 433 O VAL B 8 0.570 -4.198 -13.230 1.00 0.00 O ATOM 434 CB VAL B 8 3.466 -3.555 -12.646 1.00 0.00 C ATOM 435 CG1 VAL B 8 3.215 -2.273 -11.867 1.00 0.00 C ATOM 436 CG2 VAL B 8 4.944 -3.920 -12.611 1.00 0.00 C ATOM 0 H VAL B 8 2.810 -5.841 -13.821 1.00 0.00 H new ATOM 0 HA VAL B 8 2.916 -4.860 -11.047 1.00 0.00 H new ATOM 0 HB VAL B 8 3.176 -3.388 -13.683 1.00 0.00 H new ATOM 0 HG11 VAL B 8 3.827 -1.471 -12.279 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.162 -2.001 -11.943 1.00 0.00 H new ATOM 0 HG13 VAL B 8 3.476 -2.427 -10.820 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.532 -3.095 -13.012 1.00 0.00 H new ATOM 0 HG22 VAL B 8 5.246 -4.115 -11.582 1.00 0.00 H new ATOM 0 HG23 VAL B 8 5.113 -4.812 -13.214 1.00 0.00 H new ATOM 446 N LEU B 9 0.527 -4.198 -10.996 1.00 0.00 N ATOM 447 CA LEU B 9 -0.883 -3.890 -10.914 1.00 0.00 C ATOM 448 C LEU B 9 -1.092 -2.395 -10.830 1.00 0.00 C ATOM 449 O LEU B 9 -2.009 -1.850 -11.439 1.00 0.00 O ATOM 450 CB LEU B 9 -1.498 -4.574 -9.693 1.00 0.00 C ATOM 451 CG LEU B 9 -1.730 -6.077 -9.828 1.00 0.00 C ATOM 452 CD1 LEU B 9 -2.340 -6.633 -8.555 1.00 0.00 C ATOM 453 CD2 LEU B 9 -2.631 -6.379 -11.015 1.00 0.00 C ATOM 0 H LEU B 9 0.992 -4.286 -10.092 1.00 0.00 H new ATOM 0 HA LEU B 9 -1.374 -4.261 -11.814 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -0.848 -4.400 -8.835 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.452 -4.095 -9.472 1.00 0.00 H new ATOM 0 HG LEU B 9 -0.766 -6.557 -9.996 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -2.500 -7.705 -8.666 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -1.665 -6.451 -7.719 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.294 -6.142 -8.364 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -2.783 -7.456 -11.092 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -3.593 -5.886 -10.876 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.164 -6.012 -11.929 1.00 0.00 H new ATOM 465 N LEU B 10 -0.239 -1.729 -10.070 1.00 0.00 N ATOM 466 CA LEU B 10 -0.357 -0.299 -9.914 1.00 0.00 C ATOM 467 C LEU B 10 0.974 0.343 -9.571 1.00 0.00 C ATOM 468 O LEU B 10 1.797 -0.241 -8.865 1.00 0.00 O ATOM 469 CB LEU B 10 -1.330 0.007 -8.791 1.00 0.00 C ATOM 470 CG LEU B 10 -2.121 1.309 -8.951 1.00 0.00 C ATOM 471 CD1 LEU B 10 -3.112 1.197 -10.100 1.00 0.00 C ATOM 472 CD2 LEU B 10 -2.843 1.658 -7.662 1.00 0.00 C ATOM 0 H LEU B 10 0.534 -2.155 -9.558 1.00 0.00 H new ATOM 0 HA LEU B 10 -0.708 0.106 -10.863 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.035 -0.820 -8.707 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.776 0.050 -7.853 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.417 2.109 -9.180 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.664 2.132 -10.197 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.574 0.995 -11.026 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -3.809 0.383 -9.901 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.399 2.586 -7.796 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.534 0.855 -7.403 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.116 1.784 -6.860 1.00 0.00 H new ATOM 484 N ILE B 11 1.173 1.539 -10.084 1.00 0.00 N ATOM 485 CA ILE B 11 2.368 2.318 -9.799 1.00 0.00 C ATOM 486 C ILE B 11 1.967 3.661 -9.217 1.00 0.00 C ATOM 487 O ILE B 11 1.458 4.535 -9.919 1.00 0.00 O ATOM 488 CB ILE B 11 3.249 2.541 -11.049 1.00 0.00 C ATOM 489 CG1 ILE B 11 3.746 1.200 -11.592 1.00 0.00 C ATOM 490 CG2 ILE B 11 4.425 3.457 -10.713 1.00 0.00 C ATOM 491 CD1 ILE B 11 4.664 1.322 -12.789 1.00 0.00 C ATOM 0 H ILE B 11 0.514 2.002 -10.710 1.00 0.00 H new ATOM 0 HA ILE B 11 2.962 1.749 -9.083 1.00 0.00 H new ATOM 0 HB ILE B 11 2.649 3.023 -11.820 1.00 0.00 H new ATOM 0 HG12 ILE B 11 4.271 0.670 -10.797 1.00 0.00 H new ATOM 0 HG13 ILE B 11 2.886 0.590 -11.868 1.00 0.00 H new ATOM 0 HG21 ILE B 11 5.037 3.605 -11.603 1.00 0.00 H new ATOM 0 HG22 ILE B 11 4.049 4.420 -10.367 1.00 0.00 H new ATOM 0 HG23 ILE B 11 5.029 3.001 -9.929 1.00 0.00 H new ATOM 0 HD11 ILE B 11 4.972 0.328 -13.114 1.00 0.00 H new ATOM 0 HD12 ILE B 11 4.138 1.822 -13.602 1.00 0.00 H new ATOM 0 HD13 ILE B 11 5.544 1.903 -12.515 1.00 0.00 H new ATOM 503 N VAL B 12 2.198 3.806 -7.929 1.00 0.00 N ATOM 504 CA VAL B 12 1.878 5.025 -7.220 1.00 0.00 C ATOM 505 C VAL B 12 3.152 5.826 -7.012 1.00 0.00 C ATOM 506 O VAL B 12 4.234 5.256 -6.898 1.00 0.00 O ATOM 507 CB VAL B 12 1.220 4.733 -5.858 1.00 0.00 C ATOM 508 CG1 VAL B 12 0.523 5.969 -5.322 1.00 0.00 C ATOM 509 CG2 VAL B 12 0.244 3.571 -5.969 1.00 0.00 C ATOM 0 H VAL B 12 2.613 3.081 -7.344 1.00 0.00 H new ATOM 0 HA VAL B 12 1.166 5.594 -7.817 1.00 0.00 H new ATOM 0 HB VAL B 12 2.005 4.453 -5.155 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.065 5.740 -4.360 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.250 6.771 -5.196 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.248 6.285 -6.024 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.209 3.382 -4.996 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.535 3.818 -6.690 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.776 2.679 -6.301 1.00 0.00 H new ATOM 519 N LYS B 13 3.030 7.136 -6.959 1.00 0.00 N ATOM 520 CA LYS B 13 4.200 7.992 -6.803 1.00 0.00 C ATOM 521 C LYS B 13 4.123 8.850 -5.555 1.00 0.00 C ATOM 522 O LYS B 13 3.051 9.040 -4.985 1.00 0.00 O ATOM 523 CB LYS B 13 4.372 8.881 -8.026 1.00 0.00 C ATOM 524 CG LYS B 13 4.678 8.099 -9.289 1.00 0.00 C ATOM 525 CD LYS B 13 3.654 8.366 -10.382 1.00 0.00 C ATOM 526 CE LYS B 13 2.446 7.442 -10.274 1.00 0.00 C ATOM 527 NZ LYS B 13 1.306 8.079 -9.557 1.00 0.00 N ATOM 0 H LYS B 13 2.142 7.634 -7.021 1.00 0.00 H new ATOM 0 HA LYS B 13 5.064 7.335 -6.701 1.00 0.00 H new ATOM 0 HB2 LYS B 13 3.462 9.462 -8.177 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.177 9.592 -7.841 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.672 8.365 -9.649 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.696 7.033 -9.061 1.00 0.00 H new ATOM 0 HD2 LYS B 13 3.323 9.403 -10.323 1.00 0.00 H new ATOM 0 HD3 LYS B 13 4.123 8.236 -11.357 1.00 0.00 H new ATOM 0 HE2 LYS B 13 2.125 7.150 -11.274 1.00 0.00 H new ATOM 0 HE3 LYS B 13 2.735 6.530 -9.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 0.570 7.368 -9.375 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 1.640 8.471 -8.653 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 0.912 8.843 -10.142 1.00 0.00 H new ATOM 541 N LYS B 14 5.284 9.388 -5.179 1.00 0.00 N ATOM 542 CA LYS B 14 5.434 10.228 -3.999 1.00 0.00 C ATOM 543 C LYS B 14 4.758 9.608 -2.781 1.00 0.00 C ATOM 544 O LYS B 14 4.052 10.280 -2.033 1.00 0.00 O ATOM 545 CB LYS B 14 4.897 11.628 -4.285 1.00 0.00 C ATOM 546 CG LYS B 14 5.954 12.584 -4.826 1.00 0.00 C ATOM 547 CD LYS B 14 5.341 13.870 -5.369 1.00 0.00 C ATOM 548 CE LYS B 14 4.927 14.827 -4.258 1.00 0.00 C ATOM 549 NZ LYS B 14 4.129 15.970 -4.786 1.00 0.00 N ATOM 0 H LYS B 14 6.154 9.249 -5.694 1.00 0.00 H new ATOM 0 HA LYS B 14 6.495 10.306 -3.764 1.00 0.00 H new ATOM 0 HB2 LYS B 14 4.081 11.556 -5.004 1.00 0.00 H new ATOM 0 HB3 LYS B 14 4.478 12.043 -3.368 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.662 12.827 -4.034 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.518 12.090 -5.617 1.00 0.00 H new ATOM 0 HD2 LYS B 14 6.059 14.365 -6.023 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.471 13.626 -5.978 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.342 14.288 -3.512 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.816 15.206 -3.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.641 16.445 -4.000 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.762 16.646 -5.259 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.427 15.618 -5.468 1.00 0.00 H new ATOM 563 N VAL B 15 4.978 8.312 -2.597 1.00 0.00 N ATOM 564 CA VAL B 15 4.408 7.596 -1.463 1.00 0.00 C ATOM 565 C VAL B 15 5.456 7.421 -0.374 1.00 0.00 C ATOM 566 O VAL B 15 6.555 6.950 -0.644 1.00 0.00 O ATOM 567 CB VAL B 15 3.851 6.212 -1.870 1.00 0.00 C ATOM 568 CG1 VAL B 15 3.212 5.512 -0.680 1.00 0.00 C ATOM 569 CG2 VAL B 15 2.848 6.367 -2.994 1.00 0.00 C ATOM 0 H VAL B 15 5.546 7.736 -3.218 1.00 0.00 H new ATOM 0 HA VAL B 15 3.578 8.194 -1.087 1.00 0.00 H new ATOM 0 HB VAL B 15 4.680 5.595 -2.218 1.00 0.00 H new ATOM 0 HG11 VAL B 15 2.828 4.541 -0.992 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.957 5.373 0.103 1.00 0.00 H new ATOM 0 HG13 VAL B 15 2.392 6.120 -0.297 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.461 5.387 -3.274 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.025 7.001 -2.663 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.335 6.825 -3.855 1.00 0.00 H new ATOM 579 N ARG B 16 5.114 7.817 0.842 1.00 0.00 N ATOM 580 CA ARG B 16 6.016 7.706 1.970 1.00 0.00 C ATOM 581 C ARG B 16 5.653 6.515 2.837 1.00 0.00 C ATOM 582 O ARG B 16 4.483 6.147 2.952 1.00 0.00 O ATOM 583 CB ARG B 16 5.989 8.981 2.814 1.00 0.00 C ATOM 584 CG ARG B 16 6.695 10.149 2.157 1.00 0.00 C ATOM 585 CD ARG B 16 6.503 11.440 2.929 1.00 0.00 C ATOM 586 NE ARG B 16 7.781 12.110 3.190 1.00 0.00 N ATOM 587 CZ ARG B 16 8.083 12.757 4.318 1.00 0.00 C ATOM 588 NH1 ARG B 16 7.246 12.750 5.353 1.00 0.00 N ATOM 589 NH2 ARG B 16 9.253 13.374 4.421 1.00 0.00 N ATOM 0 H ARG B 16 4.206 8.222 1.071 1.00 0.00 H new ATOM 0 HA ARG B 16 7.022 7.563 1.576 1.00 0.00 H new ATOM 0 HB2 ARG B 16 4.953 9.256 3.011 1.00 0.00 H new ATOM 0 HB3 ARG B 16 6.455 8.780 3.779 1.00 0.00 H new ATOM 0 HG2 ARG B 16 7.760 9.930 2.077 1.00 0.00 H new ATOM 0 HG3 ARG B 16 6.319 10.275 1.142 1.00 0.00 H new ATOM 0 HD2 ARG B 16 5.850 12.107 2.366 1.00 0.00 H new ATOM 0 HD3 ARG B 16 6.003 11.228 3.874 1.00 0.00 H new ATOM 0 HE ARG B 16 8.490 12.080 2.457 1.00 0.00 H new ATOM 0 HH11 ARG B 16 6.361 12.246 5.290 1.00 0.00 H new ATOM 0 HH12 ARG B 16 7.489 13.249 6.209 1.00 0.00 H new ATOM 0 HH21 ARG B 16 9.912 13.351 3.643 1.00 0.00 H new ATOM 0 HH22 ARG B 16 9.494 13.871 5.278 1.00 0.00 H new ATOM 603 N GLN B 17 6.666 5.900 3.413 1.00 0.00 N ATOM 604 CA GLN B 17 6.474 4.767 4.292 1.00 0.00 C ATOM 605 C GLN B 17 7.469 4.849 5.437 1.00 0.00 C ATOM 606 O GLN B 17 8.659 4.586 5.255 1.00 0.00 O ATOM 607 CB GLN B 17 6.637 3.448 3.528 1.00 0.00 C ATOM 608 CG GLN B 17 6.014 2.248 4.234 1.00 0.00 C ATOM 609 CD GLN B 17 6.875 1.689 5.354 1.00 0.00 C ATOM 610 OE1 GLN B 17 6.366 1.255 6.387 1.00 0.00 O ATOM 611 NE2 GLN B 17 8.185 1.683 5.159 1.00 0.00 N ATOM 0 H GLN B 17 7.641 6.171 3.285 1.00 0.00 H new ATOM 0 HA GLN B 17 5.460 4.793 4.691 1.00 0.00 H new ATOM 0 HB2 GLN B 17 6.186 3.552 2.541 1.00 0.00 H new ATOM 0 HB3 GLN B 17 7.699 3.257 3.374 1.00 0.00 H new ATOM 0 HG2 GLN B 17 5.046 2.539 4.641 1.00 0.00 H new ATOM 0 HG3 GLN B 17 5.829 1.462 3.502 1.00 0.00 H new ATOM 0 HE21 GLN B 17 8.573 2.051 4.290 1.00 0.00 H new ATOM 0 HE22 GLN B 17 8.806 1.311 5.877 1.00 0.00 H new ATOM 620 N LYS B 18 6.969 5.236 6.604 1.00 0.00 N ATOM 621 CA LYS B 18 7.787 5.364 7.803 1.00 0.00 C ATOM 622 C LYS B 18 8.947 6.336 7.585 1.00 0.00 C ATOM 623 O LYS B 18 10.115 5.973 7.746 1.00 0.00 O ATOM 624 CB LYS B 18 8.296 3.991 8.268 1.00 0.00 C ATOM 625 CG LYS B 18 7.368 3.310 9.266 1.00 0.00 C ATOM 626 CD LYS B 18 7.580 1.802 9.304 1.00 0.00 C ATOM 627 CE LYS B 18 6.751 1.151 10.404 1.00 0.00 C ATOM 628 NZ LYS B 18 6.320 -0.232 10.040 1.00 0.00 N ATOM 0 H LYS B 18 5.986 5.470 6.746 1.00 0.00 H new ATOM 0 HA LYS B 18 7.158 5.776 8.592 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.421 3.345 7.399 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.280 4.111 8.721 1.00 0.00 H new ATOM 0 HG2 LYS B 18 7.537 3.725 10.260 1.00 0.00 H new ATOM 0 HG3 LYS B 18 6.332 3.524 9.003 1.00 0.00 H new ATOM 0 HD2 LYS B 18 7.310 1.371 8.340 1.00 0.00 H new ATOM 0 HD3 LYS B 18 8.636 1.586 9.466 1.00 0.00 H new ATOM 0 HE2 LYS B 18 7.333 1.118 11.325 1.00 0.00 H new ATOM 0 HE3 LYS B 18 5.872 1.763 10.605 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 6.262 -0.815 10.899 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 5.387 -0.196 9.583 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 7.011 -0.650 9.384 1.00 0.00 H new ATOM 642 N LYS B 19 8.597 7.557 7.180 1.00 0.00 N ATOM 643 CA LYS B 19 9.554 8.641 6.958 1.00 0.00 C ATOM 644 C LYS B 19 10.432 8.419 5.734 1.00 0.00 C ATOM 645 O LYS B 19 11.596 8.818 5.721 1.00 0.00 O ATOM 646 CB LYS B 19 10.431 8.863 8.197 1.00 0.00 C ATOM 647 CG LYS B 19 10.822 10.321 8.411 1.00 0.00 C ATOM 648 CD LYS B 19 9.616 11.247 8.336 1.00 0.00 C ATOM 649 CE LYS B 19 8.486 10.757 9.226 1.00 0.00 C ATOM 650 NZ LYS B 19 7.192 11.404 8.901 1.00 0.00 N ATOM 0 H LYS B 19 7.630 7.824 6.995 1.00 0.00 H new ATOM 0 HA LYS B 19 8.959 9.535 6.771 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.899 8.505 9.078 1.00 0.00 H new ATOM 0 HB3 LYS B 19 11.336 8.262 8.105 1.00 0.00 H new ATOM 0 HG2 LYS B 19 11.303 10.429 9.383 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.554 10.615 7.658 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.908 12.253 8.637 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.268 11.311 7.305 1.00 0.00 H new ATOM 0 HE2 LYS B 19 8.386 9.677 9.121 1.00 0.00 H new ATOM 0 HE3 LYS B 19 8.736 10.954 10.268 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 6.452 11.038 9.534 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 7.277 12.433 9.026 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 6.938 11.195 7.914 1.00 0.00 H new ATOM 664 N GLN B 20 9.883 7.809 4.701 1.00 0.00 N ATOM 665 CA GLN B 20 10.649 7.589 3.488 1.00 0.00 C ATOM 666 C GLN B 20 9.768 7.785 2.273 1.00 0.00 C ATOM 667 O GLN B 20 8.810 7.048 2.073 1.00 0.00 O ATOM 668 CB GLN B 20 11.239 6.178 3.470 1.00 0.00 C ATOM 669 CG GLN B 20 12.444 6.003 4.374 1.00 0.00 C ATOM 670 CD GLN B 20 12.631 4.567 4.807 1.00 0.00 C ATOM 671 OE1 GLN B 20 13.310 3.786 4.143 1.00 0.00 O ATOM 672 NE2 GLN B 20 12.018 4.207 5.921 1.00 0.00 N ATOM 0 H GLN B 20 8.924 7.461 4.675 1.00 0.00 H new ATOM 0 HA GLN B 20 11.465 8.312 3.464 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.467 5.469 3.769 1.00 0.00 H new ATOM 0 HB3 GLN B 20 11.524 5.927 2.448 1.00 0.00 H new ATOM 0 HG2 GLN B 20 13.339 6.343 3.853 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.329 6.634 5.255 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.464 4.888 6.441 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.099 3.249 6.261 1.00 0.00 H new ATOM 681 N ASP B 21 10.091 8.786 1.479 1.00 0.00 N ATOM 682 CA ASP B 21 9.348 9.078 0.263 1.00 0.00 C ATOM 683 C ASP B 21 9.897 8.322 -0.939 1.00 0.00 C ATOM 684 O ASP B 21 11.109 8.225 -1.142 1.00 0.00 O ATOM 685 CB ASP B 21 9.256 10.591 0.008 1.00 0.00 C ATOM 686 CG ASP B 21 10.412 11.373 0.594 1.00 0.00 C ATOM 687 OD1 ASP B 21 11.548 11.231 0.108 1.00 0.00 O ATOM 688 OD2 ASP B 21 10.170 12.127 1.572 1.00 0.00 O ATOM 0 H ASP B 21 10.871 9.419 1.654 1.00 0.00 H new ATOM 0 HA ASP B 21 8.330 8.718 0.413 1.00 0.00 H new ATOM 0 HB2 ASP B 21 9.215 10.769 -1.067 1.00 0.00 H new ATOM 0 HB3 ASP B 21 8.323 10.966 0.429 1.00 0.00 H new ATOM 693 N GLY B 22 8.987 7.746 -1.710 1.00 0.00 N ATOM 694 CA GLY B 22 9.367 7.006 -2.889 1.00 0.00 C ATOM 695 C GLY B 22 8.195 6.730 -3.807 1.00 0.00 C ATOM 696 O GLY B 22 7.571 7.654 -4.331 1.00 0.00 O ATOM 0 H GLY B 22 7.983 7.780 -1.535 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.127 7.565 -3.435 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.820 6.061 -2.590 1.00 0.00 H new ATOM 700 N ALA B 23 7.866 5.457 -3.977 1.00 0.00 N ATOM 701 CA ALA B 23 6.788 5.058 -4.859 1.00 0.00 C ATOM 702 C ALA B 23 6.214 3.721 -4.420 1.00 0.00 C ATOM 703 O ALA B 23 6.952 2.839 -3.981 1.00 0.00 O ATOM 704 CB ALA B 23 7.302 4.971 -6.283 1.00 0.00 C ATOM 0 H ALA B 23 8.336 4.681 -3.510 1.00 0.00 H new ATOM 0 HA ALA B 23 5.994 5.803 -4.812 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.490 4.671 -6.945 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.682 5.945 -6.593 1.00 0.00 H new ATOM 0 HB3 ALA B 23 8.104 4.235 -6.336 1.00 0.00 H new ATOM 710 N LEU B 24 4.909 3.572 -4.559 1.00 0.00 N ATOM 711 CA LEU B 24 4.229 2.351 -4.157 1.00 0.00 C ATOM 712 C LEU B 24 3.941 1.510 -5.398 1.00 0.00 C ATOM 713 O LEU B 24 3.392 2.005 -6.377 1.00 0.00 O ATOM 714 CB LEU B 24 2.924 2.711 -3.434 1.00 0.00 C ATOM 715 CG LEU B 24 2.449 1.746 -2.338 1.00 0.00 C ATOM 716 CD1 LEU B 24 1.040 2.105 -1.898 1.00 0.00 C ATOM 717 CD2 LEU B 24 2.505 0.305 -2.802 1.00 0.00 C ATOM 0 H LEU B 24 4.294 4.286 -4.950 1.00 0.00 H new ATOM 0 HA LEU B 24 4.857 1.776 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU B 24 3.044 3.698 -2.988 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.134 2.792 -4.180 1.00 0.00 H new ATOM 0 HG LEU B 24 3.125 1.847 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.714 1.414 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU B 24 1.029 3.122 -1.507 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.364 2.037 -2.750 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.162 -0.349 -2.000 1.00 0.00 H new ATOM 0 HD22 LEU B 24 1.863 0.178 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.531 0.047 -3.066 1.00 0.00 H new ATOM 729 N TYR B 25 4.321 0.246 -5.355 1.00 0.00 N ATOM 730 CA TYR B 25 4.113 -0.649 -6.487 1.00 0.00 C ATOM 731 C TYR B 25 3.243 -1.846 -6.111 1.00 0.00 C ATOM 732 O TYR B 25 3.583 -2.618 -5.217 1.00 0.00 O ATOM 733 CB TYR B 25 5.457 -1.154 -7.024 1.00 0.00 C ATOM 734 CG TYR B 25 6.322 -0.078 -7.641 1.00 0.00 C ATOM 735 CD1 TYR B 25 7.177 0.689 -6.859 1.00 0.00 C ATOM 736 CD2 TYR B 25 6.289 0.163 -9.007 1.00 0.00 C ATOM 737 CE1 TYR B 25 7.970 1.670 -7.423 1.00 0.00 C ATOM 738 CE2 TYR B 25 7.079 1.141 -9.577 1.00 0.00 C ATOM 739 CZ TYR B 25 7.916 1.892 -8.782 1.00 0.00 C ATOM 740 OH TYR B 25 8.703 2.867 -9.350 1.00 0.00 O ATOM 0 H TYR B 25 4.775 -0.187 -4.551 1.00 0.00 H new ATOM 0 HA TYR B 25 3.597 -0.076 -7.258 1.00 0.00 H new ATOM 0 HB2 TYR B 25 6.008 -1.624 -6.209 1.00 0.00 H new ATOM 0 HB3 TYR B 25 5.270 -1.927 -7.770 1.00 0.00 H new ATOM 0 HD1 TYR B 25 7.222 0.516 -5.794 1.00 0.00 H new ATOM 0 HD2 TYR B 25 5.635 -0.424 -9.634 1.00 0.00 H new ATOM 0 HE1 TYR B 25 8.628 2.259 -6.802 1.00 0.00 H new ATOM 0 HE2 TYR B 25 7.041 1.316 -10.642 1.00 0.00 H new ATOM 0 HH TYR B 25 8.545 2.893 -10.317 1.00 0.00 H new ATOM 750 N LEU B 26 2.118 -1.992 -6.794 1.00 0.00 N ATOM 751 CA LEU B 26 1.225 -3.118 -6.556 1.00 0.00 C ATOM 752 C LEU B 26 1.595 -4.237 -7.512 1.00 0.00 C ATOM 753 O LEU B 26 1.778 -3.986 -8.703 1.00 0.00 O ATOM 754 CB LEU B 26 -0.244 -2.732 -6.771 1.00 0.00 C ATOM 755 CG LEU B 26 -0.791 -1.646 -5.847 1.00 0.00 C ATOM 756 CD1 LEU B 26 -2.309 -1.602 -5.908 1.00 0.00 C ATOM 757 CD2 LEU B 26 -0.338 -1.876 -4.427 1.00 0.00 C ATOM 0 H LEU B 26 1.801 -1.346 -7.517 1.00 0.00 H new ATOM 0 HA LEU B 26 1.337 -3.437 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.365 -2.399 -7.802 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -0.856 -3.626 -6.651 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.400 -0.687 -6.187 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.677 -0.822 -5.242 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.626 -1.388 -6.929 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.714 -2.565 -5.597 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.739 -1.091 -3.786 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.698 -2.845 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.751 -1.858 -4.385 1.00 0.00 H new ATOM 769 N MET B 27 1.715 -5.455 -7.004 1.00 0.00 N ATOM 770 CA MET B 27 2.078 -6.593 -7.838 1.00 0.00 C ATOM 771 C MET B 27 0.988 -7.658 -7.808 1.00 0.00 C ATOM 772 O MET B 27 0.115 -7.629 -6.942 1.00 0.00 O ATOM 773 CB MET B 27 3.416 -7.180 -7.388 1.00 0.00 C ATOM 774 CG MET B 27 4.601 -6.266 -7.651 1.00 0.00 C ATOM 775 SD MET B 27 6.078 -6.759 -6.740 1.00 0.00 S ATOM 776 CE MET B 27 7.255 -5.551 -7.341 1.00 0.00 C ATOM 0 H MET B 27 1.567 -5.681 -6.020 1.00 0.00 H new ATOM 0 HA MET B 27 2.181 -6.244 -8.865 1.00 0.00 H new ATOM 0 HB2 MET B 27 3.367 -7.399 -6.321 1.00 0.00 H new ATOM 0 HB3 MET B 27 3.578 -8.128 -7.901 1.00 0.00 H new ATOM 0 HG2 MET B 27 4.822 -6.263 -8.718 1.00 0.00 H new ATOM 0 HG3 MET B 27 4.335 -5.245 -7.378 1.00 0.00 H new ATOM 0 HE1 MET B 27 8.223 -5.721 -6.871 1.00 0.00 H new ATOM 0 HE2 MET B 27 7.355 -5.647 -8.422 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.904 -4.548 -7.097 1.00 0.00 H new ATOM 786 N ALA B 28 1.109 -8.635 -8.707 1.00 0.00 N ATOM 787 CA ALA B 28 0.108 -9.698 -8.884 1.00 0.00 C ATOM 788 C ALA B 28 -0.418 -10.297 -7.578 1.00 0.00 C ATOM 789 O ALA B 28 -1.630 -10.343 -7.367 1.00 0.00 O ATOM 790 CB ALA B 28 0.687 -10.801 -9.753 1.00 0.00 C ATOM 0 H ALA B 28 1.906 -8.715 -9.338 1.00 0.00 H new ATOM 0 HA ALA B 28 -0.750 -9.226 -9.364 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -0.055 -11.589 -9.884 1.00 0.00 H new ATOM 0 HB2 ALA B 28 0.958 -10.393 -10.727 1.00 0.00 H new ATOM 0 HB3 ALA B 28 1.574 -11.215 -9.273 1.00 0.00 H new ATOM 796 N GLU B 29 0.466 -10.742 -6.701 1.00 0.00 N ATOM 797 CA GLU B 29 0.024 -11.331 -5.442 1.00 0.00 C ATOM 798 C GLU B 29 0.724 -10.683 -4.259 1.00 0.00 C ATOM 799 O GLU B 29 0.694 -11.212 -3.144 1.00 0.00 O ATOM 800 CB GLU B 29 0.294 -12.840 -5.412 1.00 0.00 C ATOM 801 CG GLU B 29 -0.001 -13.565 -6.717 1.00 0.00 C ATOM 802 CD GLU B 29 1.159 -14.436 -7.149 1.00 0.00 C ATOM 803 OE1 GLU B 29 1.748 -15.118 -6.283 1.00 0.00 O ATOM 804 OE2 GLU B 29 1.525 -14.396 -8.340 1.00 0.00 O ATOM 0 H GLU B 29 1.477 -10.710 -6.830 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.049 -11.155 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.339 -13.003 -5.150 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.307 -13.287 -4.620 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.893 -14.180 -6.598 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.219 -12.836 -7.497 1.00 0.00 H new ATOM 811 N ARG B 30 1.321 -9.521 -4.475 1.00 0.00 N ATOM 812 CA ARG B 30 2.044 -8.860 -3.398 1.00 0.00 C ATOM 813 C ARG B 30 2.120 -7.357 -3.603 1.00 0.00 C ATOM 814 O ARG B 30 1.912 -6.857 -4.701 1.00 0.00 O ATOM 815 CB ARG B 30 3.458 -9.443 -3.275 1.00 0.00 C ATOM 816 CG ARG B 30 4.256 -9.403 -4.569 1.00 0.00 C ATOM 817 CD ARG B 30 4.797 -10.776 -4.946 1.00 0.00 C ATOM 818 NE ARG B 30 4.416 -11.150 -6.306 1.00 0.00 N ATOM 819 CZ ARG B 30 3.795 -12.285 -6.626 1.00 0.00 C ATOM 820 NH1 ARG B 30 3.523 -13.188 -5.691 1.00 0.00 N ATOM 821 NH2 ARG B 30 3.451 -12.518 -7.888 1.00 0.00 N ATOM 0 H ARG B 30 1.321 -9.024 -5.366 1.00 0.00 H new ATOM 0 HA ARG B 30 1.492 -9.041 -2.475 1.00 0.00 H new ATOM 0 HB2 ARG B 30 4.002 -8.893 -2.507 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.386 -10.476 -2.936 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.624 -9.029 -5.374 1.00 0.00 H new ATOM 0 HG3 ARG B 30 5.085 -8.703 -4.463 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.884 -10.776 -4.859 1.00 0.00 H new ATOM 0 HD3 ARG B 30 4.421 -11.521 -4.245 1.00 0.00 H new ATOM 0 HE ARG B 30 4.640 -10.500 -7.060 1.00 0.00 H new ATOM 0 HH11 ARG B 30 3.790 -13.015 -4.722 1.00 0.00 H new ATOM 0 HH12 ARG B 30 3.047 -14.055 -5.942 1.00 0.00 H new ATOM 0 HH21 ARG B 30 3.662 -11.829 -8.610 1.00 0.00 H new ATOM 0 HH22 ARG B 30 2.976 -13.386 -8.135 1.00 0.00 H new ATOM 835 N ILE B 31 2.401 -6.651 -2.527 1.00 0.00 N ATOM 836 CA ILE B 31 2.539 -5.209 -2.560 1.00 0.00 C ATOM 837 C ILE B 31 3.983 -4.852 -2.230 1.00 0.00 C ATOM 838 O ILE B 31 4.572 -5.420 -1.308 1.00 0.00 O ATOM 839 CB ILE B 31 1.563 -4.520 -1.572 1.00 0.00 C ATOM 840 CG1 ILE B 31 1.761 -3.002 -1.573 1.00 0.00 C ATOM 841 CG2 ILE B 31 1.732 -5.074 -0.164 1.00 0.00 C ATOM 842 CD1 ILE B 31 0.613 -2.244 -0.941 1.00 0.00 C ATOM 0 H ILE B 31 2.540 -7.061 -1.604 1.00 0.00 H new ATOM 0 HA ILE B 31 2.285 -4.849 -3.557 1.00 0.00 H new ATOM 0 HB ILE B 31 0.548 -4.734 -1.907 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.681 -2.763 -1.040 1.00 0.00 H new ATOM 0 HG13 ILE B 31 1.890 -2.661 -2.600 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.036 -4.574 0.510 1.00 0.00 H new ATOM 0 HG22 ILE B 31 1.528 -6.145 -0.167 1.00 0.00 H new ATOM 0 HG23 ILE B 31 2.753 -4.900 0.175 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.820 -1.174 -0.976 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.306 -2.454 -1.488 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.497 -2.557 0.097 1.00 0.00 H new ATOM 854 N ALA B 32 4.566 -3.951 -2.995 1.00 0.00 N ATOM 855 CA ALA B 32 5.944 -3.562 -2.769 1.00 0.00 C ATOM 856 C ALA B 32 6.100 -2.052 -2.761 1.00 0.00 C ATOM 857 O ALA B 32 5.243 -1.324 -3.257 1.00 0.00 O ATOM 858 CB ALA B 32 6.841 -4.181 -3.828 1.00 0.00 C ATOM 0 H ALA B 32 4.110 -3.477 -3.775 1.00 0.00 H new ATOM 0 HA ALA B 32 6.242 -3.931 -1.788 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.874 -3.883 -3.649 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.764 -5.267 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.530 -3.838 -4.815 1.00 0.00 H new ATOM 864 N TRP B 33 7.197 -1.588 -2.194 1.00 0.00 N ATOM 865 CA TRP B 33 7.468 -0.169 -2.123 1.00 0.00 C ATOM 866 C TRP B 33 8.963 0.079 -2.300 1.00 0.00 C ATOM 867 O TRP B 33 9.790 -0.751 -1.911 1.00 0.00 O ATOM 868 CB TRP B 33 6.968 0.408 -0.793 1.00 0.00 C ATOM 869 CG TRP B 33 7.094 1.892 -0.724 1.00 0.00 C ATOM 870 CD1 TRP B 33 6.170 2.817 -1.109 1.00 0.00 C ATOM 871 CD2 TRP B 33 8.225 2.623 -0.257 1.00 0.00 C ATOM 872 NE1 TRP B 33 6.671 4.080 -0.930 1.00 0.00 N ATOM 873 CE2 TRP B 33 7.930 3.984 -0.405 1.00 0.00 C ATOM 874 CE3 TRP B 33 9.463 2.254 0.268 1.00 0.00 C ATOM 875 CZ2 TRP B 33 8.825 4.977 -0.053 1.00 0.00 C ATOM 876 CZ3 TRP B 33 10.352 3.243 0.622 1.00 0.00 C ATOM 877 CH2 TRP B 33 10.031 4.593 0.456 1.00 0.00 C ATOM 0 H TRP B 33 7.916 -2.177 -1.775 1.00 0.00 H new ATOM 0 HA TRP B 33 6.934 0.337 -2.927 1.00 0.00 H new ATOM 0 HB2 TRP B 33 5.924 0.129 -0.651 1.00 0.00 H new ATOM 0 HB3 TRP B 33 7.531 -0.039 0.026 1.00 0.00 H new ATOM 0 HD1 TRP B 33 5.189 2.589 -1.498 1.00 0.00 H new ATOM 0 HE1 TRP B 33 6.185 4.949 -1.152 1.00 0.00 H new ATOM 0 HE3 TRP B 33 9.719 1.212 0.394 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 8.578 6.021 -0.177 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 11.313 2.972 1.034 1.00 0.00 H new ATOM 0 HH2 TRP B 33 10.752 5.347 0.736 1.00 0.00 H new ATOM 888 N ALA B 34 9.300 1.216 -2.895 1.00 0.00 N ATOM 889 CA ALA B 34 10.685 1.576 -3.139 1.00 0.00 C ATOM 890 C ALA B 34 10.881 3.080 -3.008 1.00 0.00 C ATOM 891 O ALA B 34 10.082 3.859 -3.532 1.00 0.00 O ATOM 892 CB ALA B 34 11.121 1.097 -4.518 1.00 0.00 C ATOM 0 H ALA B 34 8.624 1.908 -3.219 1.00 0.00 H new ATOM 0 HA ALA B 34 11.306 1.086 -2.389 1.00 0.00 H new ATOM 0 HB1 ALA B 34 12.162 1.374 -4.687 1.00 0.00 H new ATOM 0 HB2 ALA B 34 11.020 0.013 -4.575 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.494 1.561 -5.279 1.00 0.00 H new ATOM 898 N PRO B 35 11.931 3.508 -2.289 1.00 0.00 N ATOM 899 CA PRO B 35 12.240 4.928 -2.098 1.00 0.00 C ATOM 900 C PRO B 35 12.627 5.584 -3.417 1.00 0.00 C ATOM 901 O PRO B 35 12.894 4.881 -4.397 1.00 0.00 O ATOM 902 CB PRO B 35 13.414 4.926 -1.120 1.00 0.00 C ATOM 903 CG PRO B 35 14.031 3.576 -1.258 1.00 0.00 C ATOM 904 CD PRO B 35 12.915 2.635 -1.619 1.00 0.00 C ATOM 0 HA PRO B 35 11.387 5.495 -1.724 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.129 5.713 -1.361 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.077 5.103 -0.099 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.802 3.578 -2.029 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.511 3.271 -0.328 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.259 1.838 -2.278 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.492 2.157 -0.736 1.00 0.00 H new ATOM 992 N PHE B 41 13.906 -2.535 -4.112 1.00 0.00 N ATOM 993 CA PHE B 41 12.647 -2.590 -3.383 1.00 0.00 C ATOM 994 C PHE B 41 12.936 -2.909 -1.924 1.00 0.00 C ATOM 995 O PHE B 41 13.533 -3.939 -1.615 1.00 0.00 O ATOM 996 CB PHE B 41 11.708 -3.642 -3.982 1.00 0.00 C ATOM 997 CG PHE B 41 11.138 -3.246 -5.314 1.00 0.00 C ATOM 998 CD1 PHE B 41 9.964 -2.514 -5.389 1.00 0.00 C ATOM 999 CD2 PHE B 41 11.775 -3.606 -6.492 1.00 0.00 C ATOM 1000 CE1 PHE B 41 9.436 -2.147 -6.611 1.00 0.00 C ATOM 1001 CE2 PHE B 41 11.250 -3.241 -7.718 1.00 0.00 C ATOM 1002 CZ PHE B 41 10.080 -2.511 -7.777 1.00 0.00 C ATOM 0 HA PHE B 41 12.149 -1.623 -3.459 1.00 0.00 H new ATOM 0 HB2 PHE B 41 12.250 -4.581 -4.092 1.00 0.00 H new ATOM 0 HB3 PHE B 41 10.890 -3.826 -3.286 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.456 -2.227 -4.480 1.00 0.00 H new ATOM 0 HD2 PHE B 41 12.691 -4.177 -6.451 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.520 -1.576 -6.655 1.00 0.00 H new ATOM 0 HE2 PHE B 41 11.755 -3.527 -8.629 1.00 0.00 H new ATOM 0 HZ PHE B 41 9.669 -2.225 -8.734 1.00 0.00 H new ATOM 1012 N THR B 42 12.527 -2.024 -1.033 1.00 0.00 N ATOM 1013 CA THR B 42 12.779 -2.206 0.385 1.00 0.00 C ATOM 1014 C THR B 42 11.603 -2.863 1.095 1.00 0.00 C ATOM 1015 O THR B 42 11.755 -3.438 2.172 1.00 0.00 O ATOM 1016 CB THR B 42 13.092 -0.855 1.047 1.00 0.00 C ATOM 1017 OG1 THR B 42 12.093 0.108 0.682 1.00 0.00 O ATOM 1018 CG2 THR B 42 14.457 -0.356 0.607 1.00 0.00 C ATOM 0 H THR B 42 12.018 -1.171 -1.267 1.00 0.00 H new ATOM 0 HA THR B 42 13.639 -2.870 0.477 1.00 0.00 H new ATOM 0 HB THR B 42 13.093 -0.989 2.129 1.00 0.00 H new ATOM 0 HG1 THR B 42 12.267 0.952 1.148 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.665 0.602 1.084 1.00 0.00 H new ATOM 0 HG22 THR B 42 15.219 -1.079 0.897 1.00 0.00 H new ATOM 0 HG23 THR B 42 14.467 -0.232 -0.476 1.00 0.00 H new ATOM 1026 N ILE B 43 10.431 -2.776 0.490 1.00 0.00 N ATOM 1027 CA ILE B 43 9.236 -3.356 1.075 1.00 0.00 C ATOM 1028 C ILE B 43 8.547 -4.284 0.083 1.00 0.00 C ATOM 1029 O ILE B 43 8.324 -3.918 -1.067 1.00 0.00 O ATOM 1030 CB ILE B 43 8.256 -2.249 1.546 1.00 0.00 C ATOM 1031 CG1 ILE B 43 8.603 -1.790 2.964 1.00 0.00 C ATOM 1032 CG2 ILE B 43 6.805 -2.712 1.485 1.00 0.00 C ATOM 1033 CD1 ILE B 43 9.448 -0.536 3.006 1.00 0.00 C ATOM 0 H ILE B 43 10.282 -2.310 -0.405 1.00 0.00 H new ATOM 0 HA ILE B 43 9.538 -3.940 1.945 1.00 0.00 H new ATOM 0 HB ILE B 43 8.366 -1.408 0.862 1.00 0.00 H new ATOM 0 HG12 ILE B 43 7.680 -1.614 3.516 1.00 0.00 H new ATOM 0 HG13 ILE B 43 9.133 -2.592 3.477 1.00 0.00 H new ATOM 0 HG21 ILE B 43 6.152 -1.907 1.823 1.00 0.00 H new ATOM 0 HG22 ILE B 43 6.551 -2.979 0.459 1.00 0.00 H new ATOM 0 HG23 ILE B 43 6.673 -3.581 2.129 1.00 0.00 H new ATOM 0 HD11 ILE B 43 9.654 -0.271 4.043 1.00 0.00 H new ATOM 0 HD12 ILE B 43 10.388 -0.713 2.483 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.912 0.281 2.523 1.00 0.00 H new ATOM 1045 N SER B 44 8.269 -5.498 0.530 1.00 0.00 N ATOM 1046 CA SER B 44 7.585 -6.496 -0.271 1.00 0.00 C ATOM 1047 C SER B 44 6.745 -7.356 0.668 1.00 0.00 C ATOM 1048 O SER B 44 7.289 -7.990 1.573 1.00 0.00 O ATOM 1049 CB SER B 44 8.601 -7.348 -1.035 1.00 0.00 C ATOM 1050 OG SER B 44 7.980 -8.087 -2.073 1.00 0.00 O ATOM 0 H SER B 44 8.514 -5.819 1.466 1.00 0.00 H new ATOM 0 HA SER B 44 6.940 -6.018 -1.008 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.374 -6.705 -1.456 1.00 0.00 H new ATOM 0 HB3 SER B 44 9.096 -8.032 -0.346 1.00 0.00 H new ATOM 0 HG SER B 44 8.654 -8.620 -2.544 1.00 0.00 H new ATOM 1056 N HIS B 45 5.432 -7.374 0.472 1.00 0.00 N ATOM 1057 CA HIS B 45 4.547 -8.126 1.337 1.00 0.00 C ATOM 1058 C HIS B 45 3.472 -8.771 0.502 1.00 0.00 C ATOM 1059 O HIS B 45 2.791 -8.102 -0.276 1.00 0.00 O ATOM 1060 CB HIS B 45 3.902 -7.215 2.400 1.00 0.00 C ATOM 1061 CG HIS B 45 4.879 -6.419 3.220 1.00 0.00 C ATOM 1062 ND1 HIS B 45 5.903 -6.978 3.952 1.00 0.00 N ATOM 1063 CD2 HIS B 45 4.978 -5.073 3.407 1.00 0.00 C ATOM 1064 CE1 HIS B 45 6.577 -5.985 4.547 1.00 0.00 C ATOM 1065 NE2 HIS B 45 6.058 -4.810 4.247 1.00 0.00 N ATOM 0 H HIS B 45 4.961 -6.873 -0.282 1.00 0.00 H new ATOM 0 HA HIS B 45 5.130 -8.889 1.854 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.219 -6.526 1.903 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.302 -7.830 3.070 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.325 -4.330 2.974 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.434 -6.128 5.189 1.00 0.00 H new ATOM 0 HE2 HIS B 45 6.381 -3.896 4.565 1.00 0.00 H new ATOM 1073 N MET B 46 3.334 -10.066 0.638 1.00 0.00 N ATOM 1074 CA MET B 46 2.329 -10.788 -0.098 1.00 0.00 C ATOM 1075 C MET B 46 0.973 -10.454 0.491 1.00 0.00 C ATOM 1076 O MET B 46 0.864 -10.190 1.686 1.00 0.00 O ATOM 1077 CB MET B 46 2.594 -12.286 -0.009 1.00 0.00 C ATOM 1078 CG MET B 46 3.763 -12.763 -0.856 1.00 0.00 C ATOM 1079 SD MET B 46 3.314 -13.045 -2.581 1.00 0.00 S ATOM 1080 CE MET B 46 2.247 -14.478 -2.427 1.00 0.00 C ATOM 0 H MET B 46 3.907 -10.643 1.254 1.00 0.00 H new ATOM 0 HA MET B 46 2.354 -10.501 -1.149 1.00 0.00 H new ATOM 0 HB2 MET B 46 2.783 -12.549 1.032 1.00 0.00 H new ATOM 0 HB3 MET B 46 1.695 -12.822 -0.315 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.563 -12.024 -0.811 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.158 -13.687 -0.433 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.232 -15.024 -3.370 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.623 -15.129 -1.637 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.236 -14.154 -2.179 1.00 0.00 H new ATOM 1090 N TYR B 47 -0.049 -10.421 -0.344 1.00 0.00 N ATOM 1091 CA TYR B 47 -1.405 -10.129 0.127 1.00 0.00 C ATOM 1092 C TYR B 47 -1.839 -11.111 1.220 1.00 0.00 C ATOM 1093 O TYR B 47 -2.761 -10.833 1.981 1.00 0.00 O ATOM 1094 CB TYR B 47 -2.406 -10.150 -1.031 1.00 0.00 C ATOM 1095 CG TYR B 47 -2.104 -9.138 -2.114 1.00 0.00 C ATOM 1096 CD1 TYR B 47 -1.588 -7.887 -1.799 1.00 0.00 C ATOM 1097 CD2 TYR B 47 -2.332 -9.432 -3.450 1.00 0.00 C ATOM 1098 CE1 TYR B 47 -1.311 -6.962 -2.783 1.00 0.00 C ATOM 1099 CE2 TYR B 47 -2.056 -8.509 -4.441 1.00 0.00 C ATOM 1100 CZ TYR B 47 -1.546 -7.276 -4.101 1.00 0.00 C ATOM 1101 OH TYR B 47 -1.269 -6.351 -5.081 1.00 0.00 O ATOM 0 H TYR B 47 0.025 -10.591 -1.347 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.392 -9.127 0.555 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.418 -11.147 -1.471 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.406 -9.962 -0.639 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.401 -7.635 -0.766 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.732 -10.398 -3.720 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -0.911 -5.994 -2.520 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -2.239 -8.754 -5.477 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.661 -6.746 -5.741 1.00 0.00 H new ATOM 1111 N ALA B 48 -1.168 -12.253 1.296 1.00 0.00 N ATOM 1112 CA ALA B 48 -1.469 -13.253 2.312 1.00 0.00 C ATOM 1113 C ALA B 48 -0.816 -12.880 3.643 1.00 0.00 C ATOM 1114 O ALA B 48 -1.256 -13.318 4.701 1.00 0.00 O ATOM 1115 CB ALA B 48 -1.004 -14.629 1.863 1.00 0.00 C ATOM 0 H ALA B 48 -0.410 -12.510 0.664 1.00 0.00 H new ATOM 0 HA ALA B 48 -2.550 -13.282 2.452 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -1.238 -15.362 2.635 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.513 -14.901 0.938 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.073 -14.612 1.693 1.00 0.00 H new ATOM 1121 N ASP B 49 0.232 -12.059 3.576 1.00 0.00 N ATOM 1122 CA ASP B 49 0.947 -11.616 4.774 1.00 0.00 C ATOM 1123 C ASP B 49 0.263 -10.390 5.352 1.00 0.00 C ATOM 1124 O ASP B 49 0.589 -9.934 6.453 1.00 0.00 O ATOM 1125 CB ASP B 49 2.411 -11.264 4.471 1.00 0.00 C ATOM 1126 CG ASP B 49 3.118 -12.275 3.590 1.00 0.00 C ATOM 1127 OD1 ASP B 49 2.912 -13.490 3.783 1.00 0.00 O ATOM 1128 OD2 ASP B 49 3.885 -11.844 2.698 1.00 0.00 O ATOM 0 H ASP B 49 0.606 -11.686 2.703 1.00 0.00 H new ATOM 0 HA ASP B 49 0.931 -12.440 5.487 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.447 -10.288 3.987 1.00 0.00 H new ATOM 0 HB3 ASP B 49 2.955 -11.174 5.411 1.00 0.00 H new ATOM 1133 N ILE B 50 -0.673 -9.847 4.594 1.00 0.00 N ATOM 1134 CA ILE B 50 -1.426 -8.684 5.017 1.00 0.00 C ATOM 1135 C ILE B 50 -2.652 -9.133 5.796 1.00 0.00 C ATOM 1136 O ILE B 50 -3.672 -9.512 5.222 1.00 0.00 O ATOM 1137 CB ILE B 50 -1.857 -7.833 3.816 1.00 0.00 C ATOM 1138 CG1 ILE B 50 -0.635 -7.379 3.016 1.00 0.00 C ATOM 1139 CG2 ILE B 50 -2.681 -6.636 4.271 1.00 0.00 C ATOM 1140 CD1 ILE B 50 -0.988 -6.648 1.741 1.00 0.00 C ATOM 0 H ILE B 50 -0.930 -10.199 3.672 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.786 -8.071 5.652 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.483 -8.446 3.167 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -0.022 -6.729 3.641 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -0.027 -8.250 2.770 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.976 -6.046 3.403 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.572 -6.985 4.793 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -2.085 -6.019 4.944 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -0.074 -6.355 1.224 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -1.575 -7.303 1.097 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -1.570 -5.758 1.981 1.00 0.00 H new ATOM 1152 N LYS B 51 -2.530 -9.088 7.106 1.00 0.00 N ATOM 1153 CA LYS B 51 -3.587 -9.515 8.001 1.00 0.00 C ATOM 1154 C LYS B 51 -4.785 -8.567 7.953 1.00 0.00 C ATOM 1155 O LYS B 51 -5.922 -9.021 7.893 1.00 0.00 O ATOM 1156 CB LYS B 51 -3.007 -9.637 9.414 1.00 0.00 C ATOM 1157 CG LYS B 51 -4.019 -9.849 10.521 1.00 0.00 C ATOM 1158 CD LYS B 51 -3.442 -9.406 11.858 1.00 0.00 C ATOM 1159 CE LYS B 51 -2.307 -10.313 12.315 1.00 0.00 C ATOM 1160 NZ LYS B 51 -1.104 -9.535 12.727 1.00 0.00 N ATOM 0 H LYS B 51 -1.693 -8.753 7.583 1.00 0.00 H new ATOM 0 HA LYS B 51 -3.964 -10.487 7.683 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -2.301 -10.468 9.427 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.439 -8.733 9.634 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -4.927 -9.286 10.305 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -4.300 -10.901 10.569 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.077 -8.382 11.775 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -4.230 -9.404 12.611 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -2.646 -10.926 13.150 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -2.039 -10.994 11.507 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -0.436 -10.163 13.217 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -0.646 -9.132 11.885 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -1.390 -8.766 13.367 1.00 0.00 H new ATOM 1174 N CYS B 52 -4.534 -7.261 7.954 1.00 0.00 N ATOM 1175 CA CYS B 52 -5.624 -6.273 7.911 1.00 0.00 C ATOM 1176 C CYS B 52 -5.215 -5.042 7.101 1.00 0.00 C ATOM 1177 O CYS B 52 -4.032 -4.843 6.844 1.00 0.00 O ATOM 1178 CB CYS B 52 -6.005 -5.826 9.330 1.00 0.00 C ATOM 1179 SG CYS B 52 -5.847 -7.095 10.607 1.00 0.00 S ATOM 0 H CYS B 52 -3.597 -6.858 7.984 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.480 -6.751 7.434 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -5.380 -4.976 9.606 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.036 -5.473 9.317 1.00 0.00 H new ATOM 0 HG CYS B 52 -6.194 -6.599 11.757 1.00 0.00 H new ATOM 1185 N GLN B 53 -6.183 -4.215 6.689 1.00 0.00 N ATOM 1186 CA GLN B 53 -5.867 -3.003 5.951 1.00 0.00 C ATOM 1187 C GLN B 53 -6.733 -1.861 6.439 1.00 0.00 C ATOM 1188 O GLN B 53 -7.944 -2.006 6.600 1.00 0.00 O ATOM 1189 CB GLN B 53 -6.020 -3.195 4.433 1.00 0.00 C ATOM 1190 CG GLN B 53 -7.436 -3.060 3.890 1.00 0.00 C ATOM 1191 CD GLN B 53 -7.460 -3.014 2.374 1.00 0.00 C ATOM 1192 OE1 GLN B 53 -6.589 -3.577 1.714 1.00 0.00 O ATOM 1193 NE2 GLN B 53 -8.451 -2.348 1.808 1.00 0.00 N ATOM 0 H GLN B 53 -7.178 -4.366 6.855 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.820 -2.762 6.136 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.386 -2.467 3.927 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.643 -4.183 4.170 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -8.039 -3.899 4.237 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.892 -2.153 4.288 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -9.156 -1.893 2.388 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.511 -2.289 0.791 1.00 0.00 H new ATOM 1202 N LYS B 54 -6.103 -0.741 6.728 1.00 0.00 N ATOM 1203 CA LYS B 54 -6.825 0.424 7.176 1.00 0.00 C ATOM 1204 C LYS B 54 -6.642 1.527 6.168 1.00 0.00 C ATOM 1205 O LYS B 54 -5.733 1.476 5.339 1.00 0.00 O ATOM 1206 CB LYS B 54 -6.315 0.974 8.499 1.00 0.00 C ATOM 1207 CG LYS B 54 -5.699 0.004 9.477 1.00 0.00 C ATOM 1208 CD LYS B 54 -5.465 0.741 10.785 1.00 0.00 C ATOM 1209 CE LYS B 54 -5.685 -0.123 12.004 1.00 0.00 C ATOM 1210 NZ LYS B 54 -6.203 0.669 13.150 1.00 0.00 N ATOM 0 H LYS B 54 -5.093 -0.616 6.660 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.863 0.114 7.296 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -5.574 1.742 8.278 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -7.148 1.469 8.999 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.358 -0.850 9.633 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.759 -0.386 9.086 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.445 1.126 10.800 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -6.131 1.602 10.833 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -6.389 -0.920 11.764 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -4.747 -0.601 12.286 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -6.840 0.077 13.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -5.408 0.990 13.738 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -6.725 1.495 12.794 1.00 0.00 H new ATOM 1224 N ILE B 55 -7.472 2.546 6.265 1.00 0.00 N ATOM 1225 CA ILE B 55 -7.350 3.686 5.354 1.00 0.00 C ATOM 1226 C ILE B 55 -7.497 5.023 6.091 1.00 0.00 C ATOM 1227 O ILE B 55 -8.492 5.268 6.774 1.00 0.00 O ATOM 1228 CB ILE B 55 -8.322 3.603 4.150 1.00 0.00 C ATOM 1229 CG1 ILE B 55 -9.771 3.874 4.536 1.00 0.00 C ATOM 1230 CG2 ILE B 55 -8.230 2.237 3.494 1.00 0.00 C ATOM 1231 CD1 ILE B 55 -10.703 3.754 3.352 1.00 0.00 C ATOM 0 H ILE B 55 -8.226 2.617 6.948 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.340 3.636 4.946 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.015 4.382 3.452 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.077 3.172 5.311 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.852 4.874 4.962 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -8.918 2.192 2.650 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.212 2.070 3.142 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.494 1.467 4.219 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.725 3.955 3.672 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.414 4.475 2.587 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.643 2.746 2.942 1.00 0.00 H new ATOM 1243 N SER B 56 -6.449 5.850 6.006 1.00 0.00 N ATOM 1244 CA SER B 56 -6.441 7.163 6.641 1.00 0.00 C ATOM 1245 C SER B 56 -7.224 8.180 5.837 1.00 0.00 C ATOM 1246 O SER B 56 -6.836 8.505 4.699 1.00 0.00 O ATOM 1247 CB SER B 56 -5.024 7.672 6.801 1.00 0.00 C ATOM 1248 OG SER B 56 -4.467 7.278 8.036 1.00 0.00 O ATOM 0 H SER B 56 -5.592 5.627 5.499 1.00 0.00 H new ATOM 0 HA SER B 56 -6.910 7.041 7.617 1.00 0.00 H new ATOM 0 HB2 SER B 56 -4.407 7.294 5.986 1.00 0.00 H new ATOM 0 HB3 SER B 56 -5.017 8.760 6.728 1.00 0.00 H new ATOM 0 HG SER B 56 -4.228 6.328 7.999 1.00 0.00 H new ATOM 1254 N PRO B 57 -8.280 8.731 6.469 1.00 0.00 N ATOM 1255 CA PRO B 57 -9.193 9.715 5.873 1.00 0.00 C ATOM 1256 C PRO B 57 -8.534 11.041 5.524 1.00 0.00 C ATOM 1257 O PRO B 57 -7.378 11.296 5.866 1.00 0.00 O ATOM 1258 CB PRO B 57 -10.214 9.979 6.977 1.00 0.00 C ATOM 1259 CG PRO B 57 -9.514 9.611 8.233 1.00 0.00 C ATOM 1260 CD PRO B 57 -8.651 8.444 7.868 1.00 0.00 C ATOM 0 HA PRO B 57 -9.595 9.325 4.938 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.524 11.024 6.988 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -11.114 9.381 6.835 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -8.916 10.441 8.610 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.223 9.347 9.017 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -7.774 8.373 8.512 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.189 7.500 7.958 1.00 0.00 H new ATOM 1268 N GLU B 58 -9.302 11.886 4.853 1.00 0.00 N ATOM 1269 CA GLU B 58 -8.849 13.210 4.481 1.00 0.00 C ATOM 1270 C GLU B 58 -9.095 14.167 5.641 1.00 0.00 C ATOM 1271 O GLU B 58 -9.957 13.915 6.487 1.00 0.00 O ATOM 1272 CB GLU B 58 -9.583 13.697 3.230 1.00 0.00 C ATOM 1273 CG GLU B 58 -8.712 13.716 1.986 1.00 0.00 C ATOM 1274 CD GLU B 58 -7.665 14.814 2.018 1.00 0.00 C ATOM 1275 OE1 GLU B 58 -7.232 15.198 3.127 1.00 0.00 O ATOM 1276 OE2 GLU B 58 -7.278 15.290 0.934 1.00 0.00 O ATOM 0 H GLU B 58 -10.253 11.671 4.554 1.00 0.00 H new ATOM 0 HA GLU B 58 -7.783 13.174 4.257 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.445 13.054 3.051 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.966 14.701 3.411 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -8.217 12.751 1.880 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -9.344 13.848 1.108 1.00 0.00 H new ATOM 1283 N GLY B 59 -8.345 15.251 5.685 1.00 0.00 N ATOM 1284 CA GLY B 59 -8.497 16.212 6.758 1.00 0.00 C ATOM 1285 C GLY B 59 -7.179 16.504 7.434 1.00 0.00 C ATOM 1286 O GLY B 59 -6.963 17.596 7.961 1.00 0.00 O ATOM 0 H GLY B 59 -7.630 15.486 4.996 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -8.916 17.137 6.362 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -9.206 15.829 7.492 1.00 0.00 H new ATOM 1290 N LYS B 60 -6.300 15.514 7.433 1.00 0.00 N ATOM 1291 CA LYS B 60 -4.981 15.671 8.019 1.00 0.00 C ATOM 1292 C LYS B 60 -4.054 16.259 6.968 1.00 0.00 C ATOM 1293 O LYS B 60 -4.441 16.412 5.815 1.00 0.00 O ATOM 1294 CB LYS B 60 -4.428 14.324 8.515 1.00 0.00 C ATOM 1295 CG LYS B 60 -5.040 13.841 9.824 1.00 0.00 C ATOM 1296 CD LYS B 60 -4.137 14.133 11.020 1.00 0.00 C ATOM 1297 CE LYS B 60 -3.052 13.074 11.193 1.00 0.00 C ATOM 1298 NZ LYS B 60 -2.332 13.224 12.491 1.00 0.00 N ATOM 0 H LYS B 60 -6.478 14.593 7.032 1.00 0.00 H new ATOM 0 HA LYS B 60 -5.049 16.336 8.880 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -4.598 13.569 7.747 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -3.349 14.412 8.642 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -6.006 14.324 9.973 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -5.226 12.769 9.763 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -3.672 15.110 10.892 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -4.741 14.184 11.926 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -3.501 12.082 11.139 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.339 13.147 10.372 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -1.603 12.486 12.571 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -1.882 14.161 12.532 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -3.008 13.129 13.276 1.00 0.00 H new ATOM 1312 N ALA B 61 -2.831 16.574 7.354 1.00 0.00 N ATOM 1313 CA ALA B 61 -1.870 17.131 6.411 1.00 0.00 C ATOM 1314 C ALA B 61 -1.222 16.018 5.595 1.00 0.00 C ATOM 1315 O ALA B 61 -0.213 16.231 4.924 1.00 0.00 O ATOM 1316 CB ALA B 61 -0.812 17.939 7.149 1.00 0.00 C ATOM 0 H ALA B 61 -2.479 16.456 8.304 1.00 0.00 H new ATOM 0 HA ALA B 61 -2.397 17.797 5.728 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -0.101 18.349 6.432 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -1.290 18.754 7.692 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -0.286 17.293 7.852 1.00 0.00 H new ATOM 1322 N LYS B 62 -1.811 14.828 5.668 1.00 0.00 N ATOM 1323 CA LYS B 62 -1.307 13.668 4.964 1.00 0.00 C ATOM 1324 C LYS B 62 -2.378 12.573 4.899 1.00 0.00 C ATOM 1325 O LYS B 62 -3.059 12.299 5.892 1.00 0.00 O ATOM 1326 CB LYS B 62 -0.039 13.142 5.655 1.00 0.00 C ATOM 1327 CG LYS B 62 0.031 13.440 7.152 1.00 0.00 C ATOM 1328 CD LYS B 62 0.912 12.443 7.891 1.00 0.00 C ATOM 1329 CE LYS B 62 2.352 12.480 7.405 1.00 0.00 C ATOM 1330 NZ LYS B 62 3.089 11.248 7.785 1.00 0.00 N ATOM 0 H LYS B 62 -2.651 14.648 6.218 1.00 0.00 H new ATOM 0 HA LYS B 62 -1.054 13.959 3.945 1.00 0.00 H new ATOM 0 HB2 LYS B 62 0.020 12.064 5.508 1.00 0.00 H new ATOM 0 HB3 LYS B 62 0.833 13.578 5.168 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.418 14.448 7.303 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -0.974 13.418 7.573 1.00 0.00 H new ATOM 0 HD2 LYS B 62 0.885 12.659 8.959 1.00 0.00 H new ATOM 0 HD3 LYS B 62 0.511 11.438 7.758 1.00 0.00 H new ATOM 0 HE2 LYS B 62 2.368 12.595 6.321 1.00 0.00 H new ATOM 0 HE3 LYS B 62 2.856 13.350 7.825 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 3.901 11.500 8.384 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 2.455 10.612 8.310 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 3.428 10.768 6.927 1.00 0.00 H new ATOM 1344 N ILE B 63 -2.528 11.975 3.719 1.00 0.00 N ATOM 1345 CA ILE B 63 -3.496 10.900 3.485 1.00 0.00 C ATOM 1346 C ILE B 63 -2.762 9.560 3.534 1.00 0.00 C ATOM 1347 O ILE B 63 -1.649 9.462 3.009 1.00 0.00 O ATOM 1348 CB ILE B 63 -4.182 11.074 2.108 1.00 0.00 C ATOM 1349 CG1 ILE B 63 -4.972 12.385 2.057 1.00 0.00 C ATOM 1350 CG2 ILE B 63 -5.092 9.899 1.792 1.00 0.00 C ATOM 1351 CD1 ILE B 63 -4.185 13.552 1.497 1.00 0.00 C ATOM 0 H ILE B 63 -1.981 12.222 2.894 1.00 0.00 H new ATOM 0 HA ILE B 63 -4.266 10.934 4.255 1.00 0.00 H new ATOM 0 HB ILE B 63 -3.398 11.109 1.352 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.865 12.237 1.450 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.308 12.635 3.063 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -5.559 10.052 0.819 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -4.506 8.980 1.774 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -5.865 9.821 2.557 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.811 14.444 1.493 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.306 13.729 2.116 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.871 13.324 0.478 1.00 0.00 H new ATOM 1363 N GLN B 64 -3.354 8.511 4.126 1.00 0.00 N ATOM 1364 CA GLN B 64 -2.612 7.242 4.228 1.00 0.00 C ATOM 1365 C GLN B 64 -3.455 5.989 3.996 1.00 0.00 C ATOM 1366 O GLN B 64 -4.683 6.017 4.007 1.00 0.00 O ATOM 1367 CB GLN B 64 -1.921 7.097 5.598 1.00 0.00 C ATOM 1368 CG GLN B 64 -0.858 8.133 5.914 1.00 0.00 C ATOM 1369 CD GLN B 64 -1.402 9.388 6.556 1.00 0.00 C ATOM 1370 OE1 GLN B 64 -0.812 10.444 6.425 1.00 0.00 O ATOM 1371 NE2 GLN B 64 -2.515 9.287 7.264 1.00 0.00 N ATOM 0 H GLN B 64 -4.294 8.509 4.523 1.00 0.00 H new ATOM 0 HA GLN B 64 -1.880 7.306 3.423 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -2.684 7.138 6.375 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -1.465 6.108 5.651 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -0.117 7.688 6.578 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -0.341 8.402 4.993 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.983 8.385 7.352 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.905 10.111 7.721 1.00 0.00 H new ATOM 1380 N LEU B 65 -2.739 4.895 3.755 1.00 0.00 N ATOM 1381 CA LEU B 65 -3.302 3.563 3.564 1.00 0.00 C ATOM 1382 C LEU B 65 -2.361 2.573 4.254 1.00 0.00 C ATOM 1383 O LEU B 65 -1.221 2.442 3.841 1.00 0.00 O ATOM 1384 CB LEU B 65 -3.384 3.230 2.086 1.00 0.00 C ATOM 1385 CG LEU B 65 -4.421 2.177 1.720 1.00 0.00 C ATOM 1386 CD1 LEU B 65 -5.744 2.827 1.390 1.00 0.00 C ATOM 1387 CD2 LEU B 65 -3.914 1.330 0.572 1.00 0.00 C ATOM 0 H LEU B 65 -1.722 4.912 3.685 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.308 3.513 3.981 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.606 4.144 1.535 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.405 2.886 1.752 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.584 1.523 2.576 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.472 2.059 1.131 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.100 3.387 2.255 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -5.616 3.505 0.546 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.661 0.579 0.316 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.727 1.965 -0.294 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.988 0.835 0.866 1.00 0.00 H new ATOM 1399 N GLN B 66 -2.810 1.865 5.281 1.00 0.00 N ATOM 1400 CA GLN B 66 -1.903 0.979 6.005 1.00 0.00 C ATOM 1401 C GLN B 66 -2.342 -0.467 6.004 1.00 0.00 C ATOM 1402 O GLN B 66 -3.529 -0.783 5.934 1.00 0.00 O ATOM 1403 CB GLN B 66 -1.698 1.444 7.449 1.00 0.00 C ATOM 1404 CG GLN B 66 -2.705 0.885 8.429 1.00 0.00 C ATOM 1405 CD GLN B 66 -2.208 0.899 9.857 1.00 0.00 C ATOM 1406 OE1 GLN B 66 -1.578 -0.049 10.310 1.00 0.00 O ATOM 1407 NE2 GLN B 66 -2.506 1.967 10.574 1.00 0.00 N ATOM 0 H GLN B 66 -3.770 1.882 5.626 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.959 1.035 5.463 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.697 1.159 7.772 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.745 2.533 7.478 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.626 1.464 8.365 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -2.951 -0.138 8.145 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -3.033 2.733 10.154 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -2.209 2.026 11.548 1.00 0.00 H new ATOM 1416 N LEU B 67 -1.354 -1.336 6.084 1.00 0.00 N ATOM 1417 CA LEU B 67 -1.579 -2.760 6.107 1.00 0.00 C ATOM 1418 C LEU B 67 -1.031 -3.364 7.392 1.00 0.00 C ATOM 1419 O LEU B 67 0.155 -3.238 7.695 1.00 0.00 O ATOM 1420 CB LEU B 67 -0.904 -3.405 4.902 1.00 0.00 C ATOM 1421 CG LEU B 67 -1.029 -2.610 3.608 1.00 0.00 C ATOM 1422 CD1 LEU B 67 0.090 -2.969 2.648 1.00 0.00 C ATOM 1423 CD2 LEU B 67 -2.386 -2.848 2.965 1.00 0.00 C ATOM 0 H LEU B 67 -0.371 -1.069 6.135 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.652 -2.948 6.065 1.00 0.00 H new ATOM 0 HB2 LEU B 67 0.153 -3.546 5.126 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.333 -4.395 4.748 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.944 -1.550 3.847 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -0.018 -2.390 1.731 1.00 0.00 H new ATOM 0 HD12 LEU B 67 1.051 -2.743 3.109 1.00 0.00 H new ATOM 0 HD13 LEU B 67 0.041 -4.032 2.414 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -2.457 -2.272 2.042 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -2.502 -3.908 2.741 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -3.173 -2.534 3.650 1.00 0.00 H new ATOM 1435 N VAL B 68 -1.909 -3.985 8.153 1.00 0.00 N ATOM 1436 CA VAL B 68 -1.524 -4.650 9.387 1.00 0.00 C ATOM 1437 C VAL B 68 -1.069 -6.047 9.020 1.00 0.00 C ATOM 1438 O VAL B 68 -1.888 -6.931 8.798 1.00 0.00 O ATOM 1439 CB VAL B 68 -2.689 -4.731 10.396 1.00 0.00 C ATOM 1440 CG1 VAL B 68 -2.202 -5.262 11.738 1.00 0.00 C ATOM 1441 CG2 VAL B 68 -3.357 -3.373 10.563 1.00 0.00 C ATOM 0 H VAL B 68 -2.904 -4.045 7.938 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.731 -4.079 9.870 1.00 0.00 H new ATOM 0 HB VAL B 68 -3.431 -5.426 10.003 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.039 -5.311 12.435 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -1.782 -6.259 11.604 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -1.436 -4.596 12.137 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -4.175 -3.455 11.279 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -2.627 -2.651 10.928 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -3.748 -3.039 9.602 1.00 0.00 H new ATOM 1451 N LEU B 69 0.231 -6.241 8.933 1.00 0.00 N ATOM 1452 CA LEU B 69 0.769 -7.525 8.520 1.00 0.00 C ATOM 1453 C LEU B 69 0.661 -8.589 9.600 1.00 0.00 C ATOM 1454 O LEU B 69 0.481 -8.296 10.786 1.00 0.00 O ATOM 1455 CB LEU B 69 2.221 -7.393 8.085 1.00 0.00 C ATOM 1456 CG LEU B 69 2.599 -6.056 7.456 1.00 0.00 C ATOM 1457 CD1 LEU B 69 4.099 -5.984 7.228 1.00 0.00 C ATOM 1458 CD2 LEU B 69 1.850 -5.843 6.152 1.00 0.00 C ATOM 0 H LEU B 69 0.933 -5.531 9.141 1.00 0.00 H new ATOM 0 HA LEU B 69 0.159 -7.847 7.676 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.859 -7.560 8.953 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.442 -8.186 7.371 1.00 0.00 H new ATOM 0 HG LEU B 69 2.314 -5.260 8.145 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.353 -5.024 6.779 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.617 -6.087 8.181 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.405 -6.789 6.560 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.135 -4.883 5.721 1.00 0.00 H new ATOM 0 HD22 LEU B 69 2.099 -6.642 5.454 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.777 -5.850 6.343 1.00 0.00 H new ATOM 1470 N HIS B 70 0.761 -9.836 9.160 1.00 0.00 N ATOM 1471 CA HIS B 70 0.705 -10.993 10.049 1.00 0.00 C ATOM 1472 C HIS B 70 1.839 -10.972 11.065 1.00 0.00 C ATOM 1473 O HIS B 70 1.655 -11.389 12.206 1.00 0.00 O ATOM 1474 CB HIS B 70 0.776 -12.288 9.242 1.00 0.00 C ATOM 1475 CG HIS B 70 -0.515 -12.640 8.579 1.00 0.00 C ATOM 1476 ND1 HIS B 70 -1.301 -11.894 7.772 1.00 0.00 N flip ATOM 1477 CD2 HIS B 70 -1.159 -13.845 8.724 1.00 0.00 C flip ATOM 1478 CE1 HIS B 70 -2.426 -12.622 7.423 1.00 0.00 C flip ATOM 1479 NE2 HIS B 70 -2.294 -13.783 8.017 1.00 0.00 N flip ATOM 0 H HIS B 70 0.883 -10.076 8.176 1.00 0.00 H new ATOM 0 HA HIS B 70 -0.243 -10.945 10.586 1.00 0.00 H new ATOM 0 HB2 HIS B 70 1.553 -12.193 8.483 1.00 0.00 H new ATOM 0 HB3 HIS B 70 1.072 -13.104 9.902 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -0.813 -14.688 9.303 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -3.242 -12.300 6.793 1.00 0.00 H new ATOM 0 HE2 HIS B 70 -2.971 -14.543 7.949 1.00 0.00 H new ATOM 1487 N ALA B 71 2.989 -10.449 10.651 1.00 0.00 N ATOM 1488 CA ALA B 71 4.166 -10.387 11.513 1.00 0.00 C ATOM 1489 C ALA B 71 3.941 -9.467 12.707 1.00 0.00 C ATOM 1490 O ALA B 71 4.579 -9.617 13.744 1.00 0.00 O ATOM 1491 CB ALA B 71 5.375 -9.924 10.714 1.00 0.00 C ATOM 0 H ALA B 71 3.132 -10.060 9.719 1.00 0.00 H new ATOM 0 HA ALA B 71 4.350 -11.390 11.898 1.00 0.00 H new ATOM 0 HB1 ALA B 71 6.247 -9.881 11.366 1.00 0.00 H new ATOM 0 HB2 ALA B 71 5.564 -10.625 9.901 1.00 0.00 H new ATOM 0 HB3 ALA B 71 5.181 -8.934 10.302 1.00 0.00 H new ATOM 1497 N GLY B 72 3.032 -8.514 12.558 1.00 0.00 N ATOM 1498 CA GLY B 72 2.745 -7.603 13.645 1.00 0.00 C ATOM 1499 C GLY B 72 3.077 -6.172 13.302 1.00 0.00 C ATOM 1500 O GLY B 72 2.579 -5.248 13.942 1.00 0.00 O ATOM 0 H GLY B 72 2.491 -8.356 11.708 1.00 0.00 H new ATOM 0 HA2 GLY B 72 1.689 -7.675 13.906 1.00 0.00 H new ATOM 0 HA3 GLY B 72 3.312 -7.903 14.526 1.00 0.00 H new ATOM 1504 N ASP B 73 3.905 -5.984 12.284 1.00 0.00 N ATOM 1505 CA ASP B 73 4.290 -4.642 11.869 1.00 0.00 C ATOM 1506 C ASP B 73 3.212 -4.054 10.978 1.00 0.00 C ATOM 1507 O ASP B 73 2.513 -4.785 10.269 1.00 0.00 O ATOM 1508 CB ASP B 73 5.636 -4.648 11.135 1.00 0.00 C ATOM 1509 CG ASP B 73 6.070 -3.252 10.710 1.00 0.00 C ATOM 1510 OD1 ASP B 73 6.223 -2.372 11.588 1.00 0.00 O ATOM 1511 OD2 ASP B 73 6.252 -3.020 9.498 1.00 0.00 O ATOM 0 H ASP B 73 4.320 -6.736 11.734 1.00 0.00 H new ATOM 0 HA ASP B 73 4.401 -4.027 12.762 1.00 0.00 H new ATOM 0 HB2 ASP B 73 6.398 -5.081 11.783 1.00 0.00 H new ATOM 0 HB3 ASP B 73 5.564 -5.287 10.255 1.00 0.00 H new ATOM 1516 N THR B 74 3.057 -2.749 11.035 1.00 0.00 N ATOM 1517 CA THR B 74 2.061 -2.075 10.237 1.00 0.00 C ATOM 1518 C THR B 74 2.723 -1.164 9.212 1.00 0.00 C ATOM 1519 O THR B 74 3.646 -0.406 9.532 1.00 0.00 O ATOM 1520 CB THR B 74 1.119 -1.254 11.136 1.00 0.00 C ATOM 1521 OG1 THR B 74 1.886 -0.478 12.068 1.00 0.00 O ATOM 1522 CG2 THR B 74 0.170 -2.164 11.901 1.00 0.00 C ATOM 0 H THR B 74 3.612 -2.133 11.629 1.00 0.00 H new ATOM 0 HA THR B 74 1.478 -2.830 9.710 1.00 0.00 H new ATOM 0 HB THR B 74 0.533 -0.592 10.499 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.281 0.043 12.636 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.485 -1.561 12.529 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.431 -2.738 11.196 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.745 -2.846 12.527 1.00 0.00 H new ATOM 1530 N THR B 75 2.272 -1.254 7.977 1.00 0.00 N ATOM 1531 CA THR B 75 2.815 -0.433 6.917 1.00 0.00 C ATOM 1532 C THR B 75 1.821 0.658 6.533 1.00 0.00 C ATOM 1533 O THR B 75 0.894 0.405 5.770 1.00 0.00 O ATOM 1534 CB THR B 75 3.118 -1.301 5.680 1.00 0.00 C ATOM 1535 OG1 THR B 75 2.989 -2.687 6.024 1.00 0.00 O ATOM 1536 CG2 THR B 75 4.518 -1.039 5.154 1.00 0.00 C ATOM 0 H THR B 75 1.530 -1.889 7.684 1.00 0.00 H new ATOM 0 HA THR B 75 3.736 0.028 7.274 1.00 0.00 H new ATOM 0 HB THR B 75 2.404 -1.042 4.898 1.00 0.00 H new ATOM 0 HG1 THR B 75 3.472 -3.233 5.369 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.702 -1.666 4.282 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.611 0.010 4.873 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.248 -1.273 5.929 1.00 0.00 H new ATOM 1544 N ASN B 76 2.006 1.870 7.059 1.00 0.00 N ATOM 1545 CA ASN B 76 1.106 2.972 6.729 1.00 0.00 C ATOM 1546 C ASN B 76 1.688 3.726 5.547 1.00 0.00 C ATOM 1547 O ASN B 76 2.740 4.354 5.653 1.00 0.00 O ATOM 1548 CB ASN B 76 0.832 3.942 7.915 1.00 0.00 C ATOM 1549 CG ASN B 76 0.640 3.263 9.272 1.00 0.00 C ATOM 1550 OD1 ASN B 76 1.180 2.192 9.537 1.00 0.00 O ATOM 1551 ND2 ASN B 76 -0.118 3.908 10.158 1.00 0.00 N ATOM 0 H ASN B 76 2.758 2.110 7.705 1.00 0.00 H new ATOM 0 HA ASN B 76 0.136 2.541 6.482 1.00 0.00 H new ATOM 0 HB2 ASN B 76 1.663 4.644 7.991 1.00 0.00 H new ATOM 0 HB3 ASN B 76 -0.060 4.527 7.688 1.00 0.00 H new ATOM 0 HD21 ASN B 76 -0.264 3.514 11.087 1.00 0.00 H new ATOM 0 HD22 ASN B 76 -0.553 4.796 9.907 1.00 0.00 H new ATOM 1558 N PHE B 77 1.005 3.631 4.422 1.00 0.00 N ATOM 1559 CA PHE B 77 1.444 4.264 3.188 1.00 0.00 C ATOM 1560 C PHE B 77 0.898 5.672 3.080 1.00 0.00 C ATOM 1561 O PHE B 77 -0.302 5.876 2.906 1.00 0.00 O ATOM 1562 CB PHE B 77 1.026 3.435 1.974 1.00 0.00 C ATOM 1563 CG PHE B 77 1.944 2.277 1.710 1.00 0.00 C ATOM 1564 CD1 PHE B 77 3.275 2.496 1.396 1.00 0.00 C ATOM 1565 CD2 PHE B 77 1.481 0.973 1.778 1.00 0.00 C ATOM 1566 CE1 PHE B 77 4.127 1.438 1.155 1.00 0.00 C ATOM 1567 CE2 PHE B 77 2.331 -0.089 1.537 1.00 0.00 C ATOM 1568 CZ PHE B 77 3.655 0.143 1.224 1.00 0.00 C ATOM 0 H PHE B 77 0.130 3.114 4.335 1.00 0.00 H new ATOM 0 HA PHE B 77 2.532 4.319 3.208 1.00 0.00 H new ATOM 0 HB2 PHE B 77 0.014 3.061 2.127 1.00 0.00 H new ATOM 0 HB3 PHE B 77 0.999 4.078 1.094 1.00 0.00 H new ATOM 0 HD1 PHE B 77 3.650 3.507 1.339 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.446 0.785 2.022 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.163 1.623 0.912 1.00 0.00 H new ATOM 0 HE2 PHE B 77 1.959 -1.101 1.594 1.00 0.00 H new ATOM 0 HZ PHE B 77 4.320 -0.687 1.034 1.00 0.00 H new ATOM 1578 N HIS B 78 1.789 6.631 3.193 1.00 0.00 N ATOM 1579 CA HIS B 78 1.436 8.031 3.131 1.00 0.00 C ATOM 1580 C HIS B 78 1.584 8.567 1.712 1.00 0.00 C ATOM 1581 O HIS B 78 2.684 8.664 1.180 1.00 0.00 O ATOM 1582 CB HIS B 78 2.320 8.787 4.134 1.00 0.00 C ATOM 1583 CG HIS B 78 2.415 10.277 3.959 1.00 0.00 C ATOM 1584 ND1 HIS B 78 3.476 11.017 4.428 1.00 0.00 N ATOM 1585 CD2 HIS B 78 1.580 11.162 3.357 1.00 0.00 C ATOM 1586 CE1 HIS B 78 3.266 12.296 4.101 1.00 0.00 C ATOM 1587 NE2 HIS B 78 2.129 12.438 3.449 1.00 0.00 N ATOM 0 H HIS B 78 2.785 6.460 3.331 1.00 0.00 H new ATOM 0 HA HIS B 78 0.389 8.174 3.399 1.00 0.00 H new ATOM 0 HB2 HIS B 78 1.946 8.585 5.138 1.00 0.00 H new ATOM 0 HB3 HIS B 78 3.327 8.373 4.080 1.00 0.00 H new ATOM 0 HD2 HIS B 78 0.641 10.916 2.883 1.00 0.00 H new ATOM 0 HE1 HIS B 78 3.939 13.106 4.339 1.00 0.00 H new ATOM 0 HE2 HIS B 78 1.733 13.305 3.086 1.00 0.00 H new ATOM 1595 N PHE B 79 0.463 8.904 1.101 1.00 0.00 N ATOM 1596 CA PHE B 79 0.475 9.450 -0.246 1.00 0.00 C ATOM 1597 C PHE B 79 0.790 10.938 -0.165 1.00 0.00 C ATOM 1598 O PHE B 79 -0.113 11.774 -0.120 1.00 0.00 O ATOM 1599 CB PHE B 79 -0.870 9.232 -0.954 1.00 0.00 C ATOM 1600 CG PHE B 79 -1.250 7.791 -1.171 1.00 0.00 C ATOM 1601 CD1 PHE B 79 -1.565 6.964 -0.104 1.00 0.00 C ATOM 1602 CD2 PHE B 79 -1.314 7.271 -2.453 1.00 0.00 C ATOM 1603 CE1 PHE B 79 -1.930 5.647 -0.313 1.00 0.00 C ATOM 1604 CE2 PHE B 79 -1.684 5.958 -2.667 1.00 0.00 C ATOM 1605 CZ PHE B 79 -1.992 5.144 -1.597 1.00 0.00 C ATOM 0 H PHE B 79 -0.465 8.810 1.513 1.00 0.00 H new ATOM 0 HA PHE B 79 1.237 8.933 -0.830 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -1.653 9.714 -0.369 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -0.840 9.733 -1.921 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -1.525 7.353 0.903 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -1.071 7.901 -3.296 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -2.167 5.012 0.528 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -1.732 5.568 -3.673 1.00 0.00 H new ATOM 0 HZ PHE B 79 -2.281 4.117 -1.763 1.00 0.00 H new ATOM 1615 N SER B 80 2.076 11.263 -0.125 1.00 0.00 N ATOM 1616 CA SER B 80 2.523 12.649 -0.021 1.00 0.00 C ATOM 1617 C SER B 80 2.439 13.386 -1.360 1.00 0.00 C ATOM 1618 O SER B 80 3.280 14.229 -1.672 1.00 0.00 O ATOM 1619 CB SER B 80 3.952 12.690 0.524 1.00 0.00 C ATOM 1620 OG SER B 80 4.674 11.529 0.152 1.00 0.00 O ATOM 0 H SER B 80 2.834 10.581 -0.163 1.00 0.00 H new ATOM 0 HA SER B 80 1.854 13.164 0.668 1.00 0.00 H new ATOM 0 HB2 SER B 80 4.463 13.576 0.147 1.00 0.00 H new ATOM 0 HB3 SER B 80 3.928 12.774 1.610 1.00 0.00 H new ATOM 0 HG SER B 80 4.554 11.362 -0.806 1.00 0.00 H new ATOM 1626 N ASN B 81 1.421 13.070 -2.146 1.00 0.00 N ATOM 1627 CA ASN B 81 1.223 13.723 -3.428 1.00 0.00 C ATOM 1628 C ASN B 81 -0.162 14.335 -3.471 1.00 0.00 C ATOM 1629 O ASN B 81 -1.115 13.683 -3.865 1.00 0.00 O ATOM 1630 CB ASN B 81 1.387 12.742 -4.588 1.00 0.00 C ATOM 1631 CG ASN B 81 1.619 13.459 -5.909 1.00 0.00 C ATOM 1632 OD1 ASN B 81 2.308 14.471 -5.967 1.00 0.00 O ATOM 1633 ND2 ASN B 81 1.040 12.948 -6.978 1.00 0.00 N ATOM 0 H ASN B 81 0.720 12.365 -1.917 1.00 0.00 H new ATOM 0 HA ASN B 81 1.980 14.500 -3.536 1.00 0.00 H new ATOM 0 HB2 ASN B 81 2.225 12.076 -4.384 1.00 0.00 H new ATOM 0 HB3 ASN B 81 0.496 12.119 -4.665 1.00 0.00 H new ATOM 0 HD21 ASN B 81 1.160 13.396 -7.886 1.00 0.00 H new ATOM 0 HD22 ASN B 81 0.473 12.104 -6.897 1.00 0.00 H new ATOM 1640 N GLU B 82 -0.251 15.588 -3.069 1.00 0.00 N ATOM 1641 CA GLU B 82 -1.514 16.336 -3.029 1.00 0.00 C ATOM 1642 C GLU B 82 -2.375 16.103 -4.272 1.00 0.00 C ATOM 1643 O GLU B 82 -3.570 15.817 -4.178 1.00 0.00 O ATOM 1644 CB GLU B 82 -1.239 17.846 -2.899 1.00 0.00 C ATOM 1645 CG GLU B 82 0.240 18.237 -2.823 1.00 0.00 C ATOM 1646 CD GLU B 82 1.042 17.857 -4.060 1.00 0.00 C ATOM 1647 OE1 GLU B 82 0.490 17.911 -5.180 1.00 0.00 O ATOM 1648 OE2 GLU B 82 2.219 17.469 -3.902 1.00 0.00 O ATOM 0 H GLU B 82 0.554 16.130 -2.756 1.00 0.00 H new ATOM 0 HA GLU B 82 -2.061 15.970 -2.160 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -1.689 18.355 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -1.742 18.215 -2.005 1.00 0.00 H new ATOM 0 HG2 GLU B 82 0.314 19.314 -2.671 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.688 17.760 -1.951 1.00 0.00 H new ATOM 1655 N SER B 83 -1.747 16.202 -5.426 1.00 0.00 N ATOM 1656 CA SER B 83 -2.423 16.060 -6.705 1.00 0.00 C ATOM 1657 C SER B 83 -3.032 14.670 -6.962 1.00 0.00 C ATOM 1658 O SER B 83 -4.032 14.564 -7.679 1.00 0.00 O ATOM 1659 CB SER B 83 -1.435 16.412 -7.818 1.00 0.00 C ATOM 1660 OG SER B 83 -0.098 16.344 -7.345 1.00 0.00 O ATOM 0 H SER B 83 -0.747 16.384 -5.506 1.00 0.00 H new ATOM 0 HA SER B 83 -3.272 16.743 -6.687 1.00 0.00 H new ATOM 0 HB2 SER B 83 -1.565 15.727 -8.656 1.00 0.00 H new ATOM 0 HB3 SER B 83 -1.643 17.415 -8.191 1.00 0.00 H new ATOM 0 HG SER B 83 0.518 16.571 -8.072 1.00 0.00 H new ATOM 1666 N THR B 84 -2.473 13.602 -6.389 1.00 0.00 N ATOM 1667 CA THR B 84 -3.001 12.260 -6.665 1.00 0.00 C ATOM 1668 C THR B 84 -3.253 11.409 -5.417 1.00 0.00 C ATOM 1669 O THR B 84 -3.791 10.315 -5.532 1.00 0.00 O ATOM 1670 CB THR B 84 -2.041 11.475 -7.584 1.00 0.00 C ATOM 1671 OG1 THR B 84 -0.863 11.109 -6.860 1.00 0.00 O ATOM 1672 CG2 THR B 84 -1.642 12.296 -8.798 1.00 0.00 C ATOM 0 H THR B 84 -1.679 13.633 -5.750 1.00 0.00 H new ATOM 0 HA THR B 84 -3.963 12.437 -7.145 1.00 0.00 H new ATOM 0 HB THR B 84 -2.564 10.581 -7.925 1.00 0.00 H new ATOM 0 HG1 THR B 84 -0.440 10.337 -7.291 1.00 0.00 H new ATOM 0 HG21 THR B 84 -0.966 11.714 -9.424 1.00 0.00 H new ATOM 0 HG22 THR B 84 -2.533 12.556 -9.370 1.00 0.00 H new ATOM 0 HG23 THR B 84 -1.141 13.207 -8.472 1.00 0.00 H new ATOM 1680 N ALA B 85 -2.910 11.925 -4.245 1.00 0.00 N ATOM 1681 CA ALA B 85 -3.043 11.187 -2.985 1.00 0.00 C ATOM 1682 C ALA B 85 -4.397 10.516 -2.835 1.00 0.00 C ATOM 1683 O ALA B 85 -4.494 9.294 -2.836 1.00 0.00 O ATOM 1684 CB ALA B 85 -2.794 12.115 -1.805 1.00 0.00 C ATOM 0 H ALA B 85 -2.531 12.866 -4.135 1.00 0.00 H new ATOM 0 HA ALA B 85 -2.293 10.397 -3.003 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -2.895 11.556 -0.875 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -1.787 12.527 -1.873 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -3.521 12.927 -1.821 1.00 0.00 H new ATOM 1690 N VAL B 86 -5.425 11.329 -2.699 1.00 0.00 N ATOM 1691 CA VAL B 86 -6.792 10.842 -2.545 1.00 0.00 C ATOM 1692 C VAL B 86 -7.166 9.831 -3.635 1.00 0.00 C ATOM 1693 O VAL B 86 -7.668 8.745 -3.346 1.00 0.00 O ATOM 1694 CB VAL B 86 -7.780 12.025 -2.591 1.00 0.00 C ATOM 1695 CG1 VAL B 86 -9.225 11.541 -2.581 1.00 0.00 C ATOM 1696 CG2 VAL B 86 -7.524 12.972 -1.430 1.00 0.00 C ATOM 0 H VAL B 86 -5.343 12.346 -2.691 1.00 0.00 H new ATOM 0 HA VAL B 86 -6.851 10.339 -1.580 1.00 0.00 H new ATOM 0 HB VAL B 86 -7.618 12.564 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -9.896 12.399 -2.614 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -9.403 10.908 -3.450 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -9.411 10.970 -1.672 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -8.229 13.802 -1.475 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -7.653 12.437 -0.489 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -6.506 13.357 -1.492 1.00 0.00 H new ATOM 1706 N LYS B 87 -6.864 10.187 -4.875 1.00 0.00 N ATOM 1707 CA LYS B 87 -7.195 9.356 -6.032 1.00 0.00 C ATOM 1708 C LYS B 87 -6.467 8.013 -6.016 1.00 0.00 C ATOM 1709 O LYS B 87 -7.086 6.965 -6.200 1.00 0.00 O ATOM 1710 CB LYS B 87 -6.860 10.103 -7.329 1.00 0.00 C ATOM 1711 CG LYS B 87 -7.928 11.099 -7.778 1.00 0.00 C ATOM 1712 CD LYS B 87 -8.055 12.288 -6.830 1.00 0.00 C ATOM 1713 CE LYS B 87 -6.807 13.160 -6.833 1.00 0.00 C ATOM 1714 NZ LYS B 87 -6.572 13.808 -8.152 1.00 0.00 N ATOM 0 H LYS B 87 -6.385 11.056 -5.111 1.00 0.00 H new ATOM 0 HA LYS B 87 -8.264 9.152 -5.981 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -5.918 10.635 -7.195 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -6.704 9.374 -8.124 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -7.686 11.460 -8.778 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -8.889 10.589 -7.847 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -8.917 12.889 -7.117 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -8.241 11.926 -5.819 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -6.902 13.928 -6.065 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -5.941 12.552 -6.570 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -5.751 14.443 -8.085 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -6.387 13.078 -8.869 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -7.413 14.356 -8.424 1.00 0.00 H new ATOM 1728 N GLU B 88 -5.164 8.041 -5.782 1.00 0.00 N ATOM 1729 CA GLU B 88 -4.377 6.820 -5.783 1.00 0.00 C ATOM 1730 C GLU B 88 -4.632 6.004 -4.519 1.00 0.00 C ATOM 1731 O GLU B 88 -4.552 4.779 -4.542 1.00 0.00 O ATOM 1732 CB GLU B 88 -2.890 7.148 -5.960 1.00 0.00 C ATOM 1733 CG GLU B 88 -2.581 7.740 -7.332 1.00 0.00 C ATOM 1734 CD GLU B 88 -1.107 7.713 -7.696 1.00 0.00 C ATOM 1735 OE1 GLU B 88 -0.361 8.623 -7.273 1.00 0.00 O ATOM 1736 OE2 GLU B 88 -0.686 6.803 -8.438 1.00 0.00 O ATOM 0 H GLU B 88 -4.633 8.890 -5.590 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.686 6.205 -6.628 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.582 7.852 -5.187 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.302 6.241 -5.818 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.142 7.191 -8.088 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.933 8.771 -7.360 1.00 0.00 H new ATOM 1743 N ARG B 89 -4.968 6.685 -3.427 1.00 0.00 N ATOM 1744 CA ARG B 89 -5.256 6.012 -2.165 1.00 0.00 C ATOM 1745 C ARG B 89 -6.449 5.080 -2.341 1.00 0.00 C ATOM 1746 O ARG B 89 -6.478 3.978 -1.789 1.00 0.00 O ATOM 1747 CB ARG B 89 -5.533 7.035 -1.057 1.00 0.00 C ATOM 1748 CG ARG B 89 -5.414 6.476 0.358 1.00 0.00 C ATOM 1749 CD ARG B 89 -6.769 6.378 1.049 1.00 0.00 C ATOM 1750 NE ARG B 89 -7.694 7.416 0.596 1.00 0.00 N ATOM 1751 CZ ARG B 89 -8.805 7.161 -0.093 1.00 0.00 C ATOM 1752 NH1 ARG B 89 -9.202 5.906 -0.268 1.00 0.00 N ATOM 1753 NH2 ARG B 89 -9.535 8.155 -0.581 1.00 0.00 N ATOM 0 H ARG B 89 -5.047 7.701 -3.391 1.00 0.00 H new ATOM 0 HA ARG B 89 -4.386 5.425 -1.872 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -4.838 7.868 -1.166 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -6.537 7.437 -1.193 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -4.954 5.489 0.320 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -4.753 7.113 0.945 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -7.203 5.397 0.857 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -6.632 6.460 2.127 1.00 0.00 H new ATOM 0 HE ARG B 89 -7.477 8.387 0.820 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -8.656 5.139 0.125 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.053 5.709 -0.795 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -9.247 9.122 -0.430 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -10.385 7.953 -1.108 1.00 0.00 H new ATOM 1767 N ASP B 90 -7.431 5.528 -3.116 1.00 0.00 N ATOM 1768 CA ASP B 90 -8.616 4.723 -3.382 1.00 0.00 C ATOM 1769 C ASP B 90 -8.297 3.589 -4.343 1.00 0.00 C ATOM 1770 O ASP B 90 -8.725 2.460 -4.133 1.00 0.00 O ATOM 1771 CB ASP B 90 -9.760 5.578 -3.941 1.00 0.00 C ATOM 1772 CG ASP B 90 -10.658 6.123 -2.849 1.00 0.00 C ATOM 1773 OD1 ASP B 90 -11.158 5.316 -2.032 1.00 0.00 O ATOM 1774 OD2 ASP B 90 -10.843 7.352 -2.772 1.00 0.00 O ATOM 0 H ASP B 90 -7.429 6.442 -3.569 1.00 0.00 H new ATOM 0 HA ASP B 90 -8.940 4.298 -2.432 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -9.344 6.407 -4.514 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -10.354 4.979 -4.632 1.00 0.00 H new ATOM 1779 N ALA B 91 -7.496 3.881 -5.363 1.00 0.00 N ATOM 1780 CA ALA B 91 -7.133 2.884 -6.371 1.00 0.00 C ATOM 1781 C ALA B 91 -6.367 1.717 -5.754 1.00 0.00 C ATOM 1782 O ALA B 91 -6.540 0.561 -6.145 1.00 0.00 O ATOM 1783 CB ALA B 91 -6.314 3.532 -7.477 1.00 0.00 C ATOM 0 H ALA B 91 -7.084 4.801 -5.516 1.00 0.00 H new ATOM 0 HA ALA B 91 -8.054 2.486 -6.796 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.049 2.781 -8.221 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -6.900 4.321 -7.949 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.405 3.959 -7.054 1.00 0.00 H new ATOM 1789 N VAL B 92 -5.533 2.029 -4.779 1.00 0.00 N ATOM 1790 CA VAL B 92 -4.736 1.019 -4.095 1.00 0.00 C ATOM 1791 C VAL B 92 -5.626 0.226 -3.154 1.00 0.00 C ATOM 1792 O VAL B 92 -5.593 -1.002 -3.141 1.00 0.00 O ATOM 1793 CB VAL B 92 -3.564 1.641 -3.300 1.00 0.00 C ATOM 1794 CG1 VAL B 92 -2.763 0.563 -2.588 1.00 0.00 C ATOM 1795 CG2 VAL B 92 -2.655 2.444 -4.211 1.00 0.00 C ATOM 0 H VAL B 92 -5.387 2.980 -4.439 1.00 0.00 H new ATOM 0 HA VAL B 92 -4.307 0.364 -4.854 1.00 0.00 H new ATOM 0 HB VAL B 92 -3.989 2.313 -2.554 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -1.944 1.023 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -3.411 0.026 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -2.359 -0.134 -3.322 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -1.839 2.870 -3.627 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -2.246 1.792 -4.983 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -3.225 3.247 -4.678 1.00 0.00 H new ATOM 1805 N LYS B 93 -6.433 0.949 -2.382 1.00 0.00 N ATOM 1806 CA LYS B 93 -7.363 0.338 -1.442 1.00 0.00 C ATOM 1807 C LYS B 93 -8.250 -0.658 -2.171 1.00 0.00 C ATOM 1808 O LYS B 93 -8.391 -1.808 -1.757 1.00 0.00 O ATOM 1809 CB LYS B 93 -8.229 1.422 -0.796 1.00 0.00 C ATOM 1810 CG LYS B 93 -9.384 0.883 0.029 1.00 0.00 C ATOM 1811 CD LYS B 93 -10.711 1.029 -0.702 1.00 0.00 C ATOM 1812 CE LYS B 93 -11.149 2.481 -0.774 1.00 0.00 C ATOM 1813 NZ LYS B 93 -11.995 2.753 -1.966 1.00 0.00 N ATOM 0 H LYS B 93 -6.460 1.969 -2.391 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.800 -0.183 -0.667 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.600 2.043 -0.158 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.626 2.069 -1.578 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -9.208 -0.168 0.259 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.431 1.414 0.980 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.619 0.625 -1.710 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.475 0.442 -0.192 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -11.703 2.737 0.129 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -10.269 3.124 -0.801 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -11.702 3.651 -2.402 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -11.883 1.981 -2.654 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -12.992 2.817 -1.677 1.00 0.00 H new ATOM 1827 N ASP B 94 -8.826 -0.183 -3.262 1.00 0.00 N ATOM 1828 CA ASP B 94 -9.705 -0.965 -4.112 1.00 0.00 C ATOM 1829 C ASP B 94 -9.058 -2.269 -4.553 1.00 0.00 C ATOM 1830 O ASP B 94 -9.613 -3.347 -4.349 1.00 0.00 O ATOM 1831 CB ASP B 94 -10.090 -0.125 -5.329 1.00 0.00 C ATOM 1832 CG ASP B 94 -11.365 0.668 -5.111 1.00 0.00 C ATOM 1833 OD1 ASP B 94 -11.446 1.405 -4.102 1.00 0.00 O ATOM 1834 OD2 ASP B 94 -12.289 0.547 -5.938 1.00 0.00 O ATOM 0 H ASP B 94 -8.693 0.775 -3.587 1.00 0.00 H new ATOM 0 HA ASP B 94 -10.595 -1.229 -3.540 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -9.276 0.561 -5.565 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -10.216 -0.779 -6.192 1.00 0.00 H new ATOM 1839 N LEU B 95 -7.877 -2.170 -5.142 1.00 0.00 N ATOM 1840 CA LEU B 95 -7.162 -3.352 -5.609 1.00 0.00 C ATOM 1841 C LEU B 95 -6.834 -4.283 -4.447 1.00 0.00 C ATOM 1842 O LEU B 95 -7.039 -5.494 -4.535 1.00 0.00 O ATOM 1843 CB LEU B 95 -5.878 -2.948 -6.345 1.00 0.00 C ATOM 1844 CG LEU B 95 -5.822 -3.318 -7.836 1.00 0.00 C ATOM 1845 CD1 LEU B 95 -7.069 -2.836 -8.564 1.00 0.00 C ATOM 1846 CD2 LEU B 95 -4.580 -2.725 -8.479 1.00 0.00 C ATOM 0 H LEU B 95 -7.393 -1.288 -5.309 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.810 -3.886 -6.304 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.751 -1.869 -6.252 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -5.030 -3.413 -5.842 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.778 -4.404 -7.914 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.004 -3.110 -9.617 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.951 -3.300 -8.122 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.146 -1.752 -8.475 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.553 -2.995 -9.535 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.603 -1.640 -8.382 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.692 -3.115 -7.982 1.00 0.00 H new ATOM 1858 N LEU B 96 -6.375 -3.709 -3.345 1.00 0.00 N ATOM 1859 CA LEU B 96 -5.997 -4.491 -2.178 1.00 0.00 C ATOM 1860 C LEU B 96 -7.186 -5.203 -1.541 1.00 0.00 C ATOM 1861 O LEU B 96 -7.142 -6.413 -1.329 1.00 0.00 O ATOM 1862 CB LEU B 96 -5.302 -3.612 -1.153 1.00 0.00 C ATOM 1863 CG LEU B 96 -3.934 -3.125 -1.598 1.00 0.00 C ATOM 1864 CD1 LEU B 96 -3.302 -2.248 -0.533 1.00 0.00 C ATOM 1865 CD2 LEU B 96 -3.034 -4.301 -1.928 1.00 0.00 C ATOM 0 H LEU B 96 -6.255 -2.702 -3.235 1.00 0.00 H new ATOM 0 HA LEU B 96 -5.307 -5.261 -2.522 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -5.933 -2.750 -0.938 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.195 -4.169 -0.222 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.060 -2.525 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -2.323 -1.911 -0.873 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -3.940 -1.383 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -3.189 -2.819 0.389 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.058 -3.934 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -2.916 -4.928 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.480 -4.886 -2.732 1.00 0.00 H new ATOM 1877 N GLN B 97 -8.255 -4.462 -1.264 1.00 0.00 N ATOM 1878 CA GLN B 97 -9.444 -5.031 -0.631 1.00 0.00 C ATOM 1879 C GLN B 97 -10.074 -6.111 -1.503 1.00 0.00 C ATOM 1880 O GLN B 97 -10.763 -6.998 -1.007 1.00 0.00 O ATOM 1881 CB GLN B 97 -10.478 -3.940 -0.325 1.00 0.00 C ATOM 1882 CG GLN B 97 -11.172 -3.384 -1.558 1.00 0.00 C ATOM 1883 CD GLN B 97 -12.438 -2.616 -1.225 1.00 0.00 C ATOM 1884 OE1 GLN B 97 -13.393 -2.616 -1.999 1.00 0.00 O ATOM 1885 NE2 GLN B 97 -12.457 -1.953 -0.078 1.00 0.00 N ATOM 0 H GLN B 97 -8.324 -3.465 -1.468 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.125 -5.487 0.306 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.230 -4.346 0.351 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -9.984 -3.123 0.201 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -10.484 -2.728 -2.091 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.417 -4.205 -2.232 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -11.645 -1.977 0.538 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -13.284 -1.419 0.189 1.00 0.00 H new ATOM 1894 N GLN B 98 -9.842 -6.032 -2.804 1.00 0.00 N ATOM 1895 CA GLN B 98 -10.386 -7.012 -3.729 1.00 0.00 C ATOM 1896 C GLN B 98 -9.506 -8.256 -3.804 1.00 0.00 C ATOM 1897 O GLN B 98 -9.998 -9.370 -3.990 1.00 0.00 O ATOM 1898 CB GLN B 98 -10.523 -6.406 -5.121 1.00 0.00 C ATOM 1899 CG GLN B 98 -11.707 -5.466 -5.269 1.00 0.00 C ATOM 1900 CD GLN B 98 -11.851 -4.937 -6.681 1.00 0.00 C ATOM 1901 OE1 GLN B 98 -11.546 -5.634 -7.649 1.00 0.00 O ATOM 1902 NE2 GLN B 98 -12.303 -3.699 -6.808 1.00 0.00 N ATOM 0 H GLN B 98 -9.282 -5.301 -3.242 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.368 -7.304 -3.357 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -9.609 -5.864 -5.362 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.618 -7.211 -5.850 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.620 -5.989 -4.985 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.591 -4.629 -4.580 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -12.544 -3.157 -5.979 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -12.410 -3.288 -7.735 1.00 0.00 H new ATOM 1911 N LEU B 99 -8.205 -8.059 -3.676 1.00 0.00 N ATOM 1912 CA LEU B 99 -7.244 -9.157 -3.754 1.00 0.00 C ATOM 1913 C LEU B 99 -7.045 -9.860 -2.415 1.00 0.00 C ATOM 1914 O LEU B 99 -6.763 -11.055 -2.380 1.00 0.00 O ATOM 1915 CB LEU B 99 -5.906 -8.632 -4.273 1.00 0.00 C ATOM 1916 CG LEU B 99 -5.921 -8.215 -5.744 1.00 0.00 C ATOM 1917 CD1 LEU B 99 -4.828 -7.200 -6.028 1.00 0.00 C ATOM 1918 CD2 LEU B 99 -5.765 -9.432 -6.644 1.00 0.00 C ATOM 0 H LEU B 99 -7.783 -7.144 -3.516 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.650 -9.897 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.606 -7.776 -3.668 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.148 -9.403 -4.134 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.883 -7.748 -5.956 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.858 -6.918 -7.080 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.984 -6.315 -5.411 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.857 -7.637 -5.797 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.778 -9.117 -7.687 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.819 -9.927 -6.426 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.587 -10.125 -6.464 1.00 0.00 H new ATOM 1930 N LEU B 100 -7.206 -9.125 -1.324 1.00 0.00 N ATOM 1931 CA LEU B 100 -7.018 -9.676 0.019 1.00 0.00 C ATOM 1932 C LEU B 100 -7.821 -10.956 0.283 1.00 0.00 C ATOM 1933 O LEU B 100 -7.227 -11.974 0.627 1.00 0.00 O ATOM 1934 CB LEU B 100 -7.323 -8.627 1.086 1.00 0.00 C ATOM 1935 CG LEU B 100 -6.117 -7.795 1.511 1.00 0.00 C ATOM 1936 CD1 LEU B 100 -6.506 -6.791 2.580 1.00 0.00 C ATOM 1937 CD2 LEU B 100 -5.008 -8.703 2.011 1.00 0.00 C ATOM 0 H LEU B 100 -7.468 -8.139 -1.339 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.967 -9.959 0.077 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -8.097 -7.958 0.710 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -7.732 -9.127 1.964 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.754 -7.242 0.644 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -5.631 -6.209 2.868 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -7.274 -6.123 2.190 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -6.893 -7.319 3.451 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -4.152 -8.100 2.312 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -5.366 -9.277 2.866 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -4.709 -9.385 1.215 1.00 0.00 H new ATOM 1949 N PRO B 101 -9.164 -10.953 0.113 1.00 0.00 N ATOM 1950 CA PRO B 101 -9.994 -12.144 0.372 1.00 0.00 C ATOM 1951 C PRO B 101 -9.661 -13.328 -0.536 1.00 0.00 C ATOM 1952 O PRO B 101 -10.160 -14.432 -0.335 1.00 0.00 O ATOM 1953 CB PRO B 101 -11.423 -11.660 0.106 1.00 0.00 C ATOM 1954 CG PRO B 101 -11.267 -10.459 -0.758 1.00 0.00 C ATOM 1955 CD PRO B 101 -9.984 -9.812 -0.326 1.00 0.00 C ATOM 0 HA PRO B 101 -9.831 -12.518 1.383 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -12.015 -12.429 -0.390 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -11.936 -11.414 1.036 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -11.230 -10.737 -1.811 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -12.109 -9.778 -0.637 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.512 -9.268 -1.144 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -10.145 -9.097 0.481 1.00 0.00 H new ATOM 1963 N LYS B 102 -8.832 -13.093 -1.543 1.00 0.00 N ATOM 1964 CA LYS B 102 -8.443 -14.150 -2.465 1.00 0.00 C ATOM 1965 C LYS B 102 -7.231 -14.903 -1.938 1.00 0.00 C ATOM 1966 O LYS B 102 -7.088 -16.105 -2.154 1.00 0.00 O ATOM 1967 CB LYS B 102 -8.117 -13.571 -3.843 1.00 0.00 C ATOM 1968 CG LYS B 102 -9.257 -12.786 -4.465 1.00 0.00 C ATOM 1969 CD LYS B 102 -8.919 -12.363 -5.884 1.00 0.00 C ATOM 1970 CE LYS B 102 -10.124 -11.762 -6.583 1.00 0.00 C ATOM 1971 NZ LYS B 102 -10.143 -10.277 -6.489 1.00 0.00 N ATOM 0 H LYS B 102 -8.417 -12.183 -1.742 1.00 0.00 H new ATOM 0 HA LYS B 102 -9.283 -14.839 -2.554 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.246 -12.921 -3.757 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -7.842 -14.386 -4.513 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -10.162 -13.394 -4.469 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -9.468 -11.904 -3.860 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -8.107 -11.636 -5.865 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -8.562 -13.225 -6.447 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -10.119 -12.058 -7.632 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -11.036 -12.164 -6.142 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -11.117 -9.934 -6.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.789 -9.984 -5.556 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -9.537 -9.874 -7.232 1.00 0.00 H new ATOM 1985 N PHE B 103 -6.360 -14.182 -1.249 1.00 0.00 N ATOM 1986 CA PHE B 103 -5.139 -14.771 -0.707 1.00 0.00 C ATOM 1987 C PHE B 103 -5.239 -15.028 0.792 1.00 0.00 C ATOM 1988 O PHE B 103 -4.656 -15.981 1.304 1.00 0.00 O ATOM 1989 CB PHE B 103 -3.943 -13.869 -1.018 1.00 0.00 C ATOM 1990 CG PHE B 103 -3.699 -13.710 -2.493 1.00 0.00 C ATOM 1991 CD1 PHE B 103 -3.054 -14.704 -3.210 1.00 0.00 C ATOM 1992 CD2 PHE B 103 -4.128 -12.577 -3.162 1.00 0.00 C ATOM 1993 CE1 PHE B 103 -2.840 -14.570 -4.568 1.00 0.00 C ATOM 1994 CE2 PHE B 103 -3.914 -12.435 -4.520 1.00 0.00 C ATOM 1995 CZ PHE B 103 -3.272 -13.434 -5.224 1.00 0.00 C ATOM 0 H PHE B 103 -6.473 -13.188 -1.050 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.998 -15.739 -1.187 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -4.109 -12.887 -0.574 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -3.050 -14.283 -0.550 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.714 -15.594 -2.701 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -4.636 -11.795 -2.617 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -2.336 -15.352 -5.116 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -4.249 -11.544 -5.030 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.108 -13.327 -6.286 1.00 0.00 H new