USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 885 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 123 CYS SG : rot -13:sc= 1.02 USER MOD Set 1.2: B 124 GLN : amide:sc= -0.162 X(o=0.86,f=0.88) USER MOD Set 2.1: B 72 HIS : no HE2:sc= 0.279 K(o=-0.97,f=-6.3!) USER MOD Set 2.2: B 116 ASN : amide:sc= -1.25 K(o=-0.97,f=-1.6) USER MOD Set 3.1: B 54 TYR OH : rot -60:sc= -0.165 USER MOD Set 3.2: B 61 GLN :FLIP amide:sc= 1.6 F(o=0.43,f=1.4) USER MOD Single : A 9 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.32) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0263 F(o=-0.89,f=-0.026) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -81:sc= 0.51 USER MOD Single : A 31 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.2) USER MOD Single : A 32 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.58) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ -151:sc= 1.77 (180deg=0.941) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0.00757 USER MOD Single : B 46 LYS NZ :NH3+ -168:sc= 1.18 (180deg=0.837) USER MOD Single : B 47 THR OG1 : rot 98:sc= 1.22 USER MOD Single : B 48 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.28) USER MOD Single : B 55 GLN : amide:sc= -2.96! C(o=-3!,f=-2.5!) USER MOD Single : B 56 ASN : amide:sc= 1.09 K(o=1.1,f=-0.16) USER MOD Single : B 57 SER OG : rot 110:sc= -0.576 USER MOD Single : B 65 LYS NZ :NH3+ -171:sc=-0.00491 (180deg=-0.0809) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= 1.13 K(o=1.1,f=-1.9) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 LYS NZ :NH3+ 176:sc= 0.414 (180deg=0.408) USER MOD Single : B 75 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0976) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot 71:sc= 0.553 USER MOD Single : B 97 GLN : amide:sc= -0.683 X(o=-0.68,f=-0.57) USER MOD Single : B 98 LYS NZ :NH3+ 171:sc= -0.148 (180deg=-0.248) USER MOD Single : B 103 ASN : amide:sc= 0.866 K(o=0.87,f=-0.052) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= 1.39 K(o=1.4,f=-4.8!) USER MOD Single : B 107 THR OG1 : rot -12:sc= 1.17 USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 129 LYS NZ :NH3+ 170:sc=-0.00527 (180deg=-0.115) USER MOD Single : B 131 ASN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLU A 8 10.365 0.120 -8.041 1.00 0.00 N ATOM 104 CA GLU A 8 9.611 1.118 -7.296 1.00 0.00 C ATOM 105 C GLU A 8 8.774 0.436 -6.225 1.00 0.00 C ATOM 106 O GLU A 8 8.769 0.849 -5.068 1.00 0.00 O ATOM 107 CB GLU A 8 8.711 1.931 -8.233 1.00 0.00 C ATOM 108 CG GLU A 8 7.895 1.073 -9.189 1.00 0.00 C ATOM 109 CD GLU A 8 7.045 1.892 -10.134 1.00 0.00 C ATOM 110 OE1 GLU A 8 7.590 2.408 -11.132 1.00 0.00 O1- ATOM 111 OE2 GLU A 8 5.829 2.021 -9.886 1.00 0.00 O ATOM 0 HA GLU A 8 10.314 1.802 -6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.033 2.539 -7.635 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.329 2.618 -8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.569 0.442 -9.768 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.252 0.408 -8.613 1.00 0.00 H new ATOM 118 N ASN A 9 8.104 -0.641 -6.625 1.00 0.00 N ATOM 119 CA ASN A 9 7.246 -1.418 -5.737 1.00 0.00 C ATOM 120 C ASN A 9 8.000 -1.880 -4.498 1.00 0.00 C ATOM 121 O ASN A 9 7.419 -2.006 -3.425 1.00 0.00 O ATOM 122 CB ASN A 9 6.689 -2.634 -6.474 1.00 0.00 C ATOM 123 CG ASN A 9 7.777 -3.412 -7.178 1.00 0.00 C ATOM 124 OD1 ASN A 9 8.445 -4.253 -6.581 1.00 0.00 O ATOM 125 ND2 ASN A 9 7.961 -3.130 -8.453 1.00 0.00 N ATOM 0 H ASN A 9 8.141 -1.001 -7.579 1.00 0.00 H new ATOM 0 HA ASN A 9 6.427 -0.772 -5.421 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.177 -3.285 -5.765 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.946 -2.309 -7.202 1.00 0.00 H new ATOM 0 HD21 ASN A 9 8.682 -3.618 -8.984 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.382 -2.424 -8.908 1.00 0.00 H new ATOM 132 N SER A 10 9.297 -2.112 -4.653 1.00 0.00 N ATOM 133 CA SER A 10 10.139 -2.545 -3.548 1.00 0.00 C ATOM 134 C SER A 10 10.091 -1.535 -2.400 1.00 0.00 C ATOM 135 O SER A 10 10.223 -1.898 -1.234 1.00 0.00 O ATOM 136 CB SER A 10 11.573 -2.735 -4.036 1.00 0.00 C ATOM 137 OG SER A 10 11.607 -3.591 -5.170 1.00 0.00 O ATOM 0 H SER A 10 9.790 -2.006 -5.540 1.00 0.00 H new ATOM 0 HA SER A 10 9.763 -3.497 -3.173 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.007 -1.768 -4.290 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.182 -3.157 -3.237 1.00 0.00 H new ATOM 0 HG SER A 10 12.534 -3.700 -5.470 1.00 0.00 H new ATOM 143 N GLN A 11 9.894 -0.266 -2.740 1.00 0.00 N ATOM 144 CA GLN A 11 9.749 0.781 -1.740 1.00 0.00 C ATOM 145 C GLN A 11 8.304 0.850 -1.257 1.00 0.00 C ATOM 146 O GLN A 11 8.041 1.069 -0.075 1.00 0.00 O ATOM 147 CB GLN A 11 10.172 2.130 -2.322 1.00 0.00 C ATOM 148 CG GLN A 11 11.586 2.143 -2.876 1.00 0.00 C ATOM 149 CD GLN A 11 12.644 1.847 -1.827 1.00 0.00 C ATOM 150 OE1 GLN A 11 12.391 2.239 -0.587 1.00 0.00 O flip ATOM 151 NE2 GLN A 11 13.693 1.281 -2.136 1.00 0.00 N flip ATOM 0 H GLN A 11 9.831 0.061 -3.704 1.00 0.00 H new ATOM 0 HA GLN A 11 10.393 0.546 -0.893 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.478 2.406 -3.116 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.089 2.892 -1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.662 1.407 -3.677 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.786 3.118 -3.319 1.00 0.00 H new ATOM 0 HE21 GLN A 11 13.852 0.994 -3.102 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.403 1.099 -1.426 1.00 0.00 H new ATOM 160 N LEU A 12 7.375 0.657 -2.193 1.00 0.00 N ATOM 161 CA LEU A 12 5.943 0.674 -1.897 1.00 0.00 C ATOM 162 C LEU A 12 5.586 -0.343 -0.818 1.00 0.00 C ATOM 163 O LEU A 12 4.906 -0.015 0.150 1.00 0.00 O ATOM 164 CB LEU A 12 5.132 0.357 -3.158 1.00 0.00 C ATOM 165 CG LEU A 12 4.876 1.523 -4.125 1.00 0.00 C ATOM 166 CD1 LEU A 12 6.167 2.184 -4.568 1.00 0.00 C ATOM 167 CD2 LEU A 12 4.110 1.020 -5.331 1.00 0.00 C ATOM 0 H LEU A 12 7.593 0.485 -3.174 1.00 0.00 H new ATOM 0 HA LEU A 12 5.699 1.674 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.648 -0.432 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.168 -0.047 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 12 4.288 2.275 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.941 3.003 -5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.694 2.573 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.795 1.452 -5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.928 1.847 -6.017 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.693 0.250 -5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.157 0.600 -5.008 1.00 0.00 H new ATOM 179 N LEU A 13 6.060 -1.572 -1.001 1.00 0.00 N ATOM 180 CA LEU A 13 5.716 -2.688 -0.118 1.00 0.00 C ATOM 181 C LEU A 13 6.003 -2.360 1.340 1.00 0.00 C ATOM 182 O LEU A 13 5.130 -2.484 2.199 1.00 0.00 O ATOM 183 CB LEU A 13 6.506 -3.936 -0.513 1.00 0.00 C ATOM 184 CG LEU A 13 6.420 -4.329 -1.986 1.00 0.00 C ATOM 185 CD1 LEU A 13 7.235 -5.582 -2.244 1.00 0.00 C ATOM 186 CD2 LEU A 13 4.973 -4.524 -2.410 1.00 0.00 C ATOM 0 H LEU A 13 6.691 -1.824 -1.762 1.00 0.00 H new ATOM 0 HA LEU A 13 4.647 -2.872 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.554 -3.777 -0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.154 -4.773 0.090 1.00 0.00 H new ATOM 0 HG LEU A 13 6.836 -3.519 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.165 -5.851 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.278 -5.398 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.849 -6.399 -1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.937 -4.803 -3.463 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.521 -5.313 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.422 -3.595 -2.262 1.00 0.00 H new ATOM 198 N ASP A 14 7.231 -1.947 1.610 1.00 0.00 N ATOM 199 CA ASP A 14 7.654 -1.630 2.966 1.00 0.00 C ATOM 200 C ASP A 14 6.909 -0.416 3.500 1.00 0.00 C ATOM 201 O ASP A 14 6.550 -0.369 4.674 1.00 0.00 O ATOM 202 CB ASP A 14 9.162 -1.392 3.014 1.00 0.00 C ATOM 203 CG ASP A 14 9.952 -2.676 2.866 1.00 0.00 C ATOM 204 OD1 ASP A 14 9.831 -3.344 1.817 1.00 0.00 O1- ATOM 205 OD2 ASP A 14 10.693 -3.036 3.806 1.00 0.00 O ATOM 0 H ASP A 14 7.957 -1.823 0.904 1.00 0.00 H new ATOM 0 HA ASP A 14 7.414 -2.482 3.602 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.444 -0.701 2.220 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.422 -0.915 3.959 1.00 0.00 H new ATOM 210 N PHE A 15 6.666 0.553 2.626 1.00 0.00 N ATOM 211 CA PHE A 15 5.920 1.749 2.991 1.00 0.00 C ATOM 212 C PHE A 15 4.514 1.376 3.452 1.00 0.00 C ATOM 213 O PHE A 15 4.110 1.697 4.568 1.00 0.00 O ATOM 214 CB PHE A 15 5.855 2.710 1.798 1.00 0.00 C ATOM 215 CG PHE A 15 5.170 4.016 2.093 1.00 0.00 C ATOM 216 CD1 PHE A 15 5.856 5.048 2.710 1.00 0.00 C ATOM 217 CD2 PHE A 15 3.841 4.212 1.746 1.00 0.00 C ATOM 218 CE1 PHE A 15 5.231 6.251 2.977 1.00 0.00 C ATOM 219 CE2 PHE A 15 3.214 5.413 2.011 1.00 0.00 C ATOM 220 CZ PHE A 15 3.909 6.434 2.628 1.00 0.00 C ATOM 0 H PHE A 15 6.977 0.533 1.655 1.00 0.00 H new ATOM 0 HA PHE A 15 6.432 2.247 3.815 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.869 2.914 1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.334 2.217 0.977 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.891 4.911 2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.292 3.417 1.264 1.00 0.00 H new ATOM 0 HE1 PHE A 15 5.778 7.048 3.459 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.179 5.554 1.736 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.419 7.373 2.837 1.00 0.00 H new ATOM 230 N ILE A 16 3.789 0.668 2.593 1.00 0.00 N ATOM 231 CA ILE A 16 2.429 0.238 2.893 1.00 0.00 C ATOM 232 C ILE A 16 2.402 -0.636 4.146 1.00 0.00 C ATOM 233 O ILE A 16 1.468 -0.573 4.949 1.00 0.00 O ATOM 234 CB ILE A 16 1.829 -0.543 1.702 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.847 0.321 0.440 1.00 0.00 C ATOM 236 CG2 ILE A 16 0.409 -0.992 2.013 1.00 0.00 C ATOM 237 CD1 ILE A 16 1.512 -0.441 -0.823 1.00 0.00 C ATOM 0 H ILE A 16 4.125 0.378 1.675 1.00 0.00 H new ATOM 0 HA ILE A 16 1.828 1.130 3.071 1.00 0.00 H new ATOM 0 HB ILE A 16 2.439 -1.430 1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.136 1.139 0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.834 0.770 0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.006 -1.540 1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.416 -1.639 2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.213 -0.119 2.211 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.544 0.237 -1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.237 -1.242 -0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.513 -0.868 -0.736 1.00 0.00 H new ATOM 249 N ARG A 17 3.446 -1.436 4.315 1.00 0.00 N ATOM 250 CA ARG A 17 3.566 -2.307 5.472 1.00 0.00 C ATOM 251 C ARG A 17 3.679 -1.490 6.757 1.00 0.00 C ATOM 252 O ARG A 17 3.015 -1.787 7.750 1.00 0.00 O ATOM 253 CB ARG A 17 4.775 -3.230 5.313 1.00 0.00 C ATOM 254 CG ARG A 17 4.973 -4.198 6.467 1.00 0.00 C ATOM 255 CD ARG A 17 6.102 -5.172 6.180 1.00 0.00 C ATOM 256 NE ARG A 17 6.363 -6.065 7.311 1.00 0.00 N ATOM 257 CZ ARG A 17 7.381 -6.927 7.370 1.00 0.00 C ATOM 258 NH1 ARG A 17 8.278 -6.976 6.393 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 7.515 -7.724 8.424 1.00 0.00 N ATOM 0 H ARG A 17 4.225 -1.498 3.660 1.00 0.00 H new ATOM 0 HA ARG A 17 2.666 -2.918 5.539 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.665 -3.799 4.390 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.672 -2.620 5.206 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.192 -3.641 7.378 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.050 -4.750 6.645 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.853 -5.766 5.301 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.008 -4.615 5.942 1.00 0.00 H new ATOM 0 HE ARG A 17 5.725 -6.026 8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.192 -6.353 5.590 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.053 -7.637 6.445 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.840 -7.677 9.188 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.292 -8.383 8.470 1.00 0.00 H new ATOM 273 N GLU A 18 4.506 -0.453 6.727 1.00 0.00 N ATOM 274 CA GLU A 18 4.686 0.416 7.885 1.00 0.00 C ATOM 275 C GLU A 18 3.403 1.161 8.225 1.00 0.00 C ATOM 276 O GLU A 18 3.140 1.453 9.393 1.00 0.00 O ATOM 277 CB GLU A 18 5.828 1.400 7.652 1.00 0.00 C ATOM 278 CG GLU A 18 7.184 0.724 7.634 1.00 0.00 C ATOM 279 CD GLU A 18 8.340 1.703 7.645 1.00 0.00 C ATOM 280 OE1 GLU A 18 8.141 2.870 8.043 1.00 0.00 O ATOM 281 OE2 GLU A 18 9.466 1.295 7.290 1.00 0.00 O1- ATOM 0 H GLU A 18 5.063 -0.192 5.914 1.00 0.00 H new ATOM 0 HA GLU A 18 4.942 -0.217 8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.671 1.916 6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.815 2.159 8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.266 0.066 8.499 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.257 0.095 6.747 1.00 0.00 H new ATOM 288 N LEU A 19 2.604 1.462 7.209 1.00 0.00 N ATOM 289 CA LEU A 19 1.306 2.088 7.418 1.00 0.00 C ATOM 290 C LEU A 19 0.432 1.229 8.316 1.00 0.00 C ATOM 291 O LEU A 19 -0.049 1.680 9.358 1.00 0.00 O ATOM 292 CB LEU A 19 0.575 2.276 6.091 1.00 0.00 C ATOM 293 CG LEU A 19 0.733 3.627 5.400 1.00 0.00 C ATOM 294 CD1 LEU A 19 2.191 3.949 5.138 1.00 0.00 C ATOM 295 CD2 LEU A 19 -0.049 3.610 4.102 1.00 0.00 C ATOM 0 H LEU A 19 2.833 1.282 6.231 1.00 0.00 H new ATOM 0 HA LEU A 19 1.487 3.056 7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.916 1.502 5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.488 2.105 6.262 1.00 0.00 H new ATOM 0 HG LEU A 19 0.344 4.406 6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.267 4.918 4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.732 3.980 6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.624 3.181 4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.058 4.572 3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.334 2.820 3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.102 3.426 4.314 1.00 0.00 H new ATOM 307 N GLY A 20 0.225 -0.011 7.896 1.00 0.00 N ATOM 308 CA GLY A 20 -0.617 -0.917 8.646 1.00 0.00 C ATOM 309 C GLY A 20 -0.017 -1.293 9.983 1.00 0.00 C ATOM 310 O GLY A 20 -0.725 -1.745 10.884 1.00 0.00 O ATOM 0 H GLY A 20 0.627 -0.406 7.046 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.591 -0.454 8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.785 -1.821 8.060 1.00 0.00 H new ATOM 314 N ASP A 21 1.290 -1.107 10.111 1.00 0.00 N ATOM 315 CA ASP A 21 1.988 -1.428 11.344 1.00 0.00 C ATOM 316 C ASP A 21 1.586 -0.474 12.465 1.00 0.00 C ATOM 317 O ASP A 21 1.447 -0.886 13.616 1.00 0.00 O ATOM 318 CB ASP A 21 3.501 -1.369 11.128 1.00 0.00 C ATOM 319 CG ASP A 21 4.276 -1.788 12.359 1.00 0.00 C ATOM 320 OD1 ASP A 21 4.585 -0.921 13.199 1.00 0.00 O ATOM 321 OD2 ASP A 21 4.584 -2.989 12.488 1.00 0.00 O1- ATOM 0 H ASP A 21 1.887 -0.734 9.373 1.00 0.00 H new ATOM 0 HA ASP A 21 1.707 -2.440 11.636 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.772 -2.016 10.294 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.786 -0.354 10.850 1.00 0.00 H new ATOM 326 N VAL A 22 1.383 0.796 12.123 1.00 0.00 N ATOM 327 CA VAL A 22 1.056 1.804 13.125 1.00 0.00 C ATOM 328 C VAL A 22 -0.421 2.183 13.098 1.00 0.00 C ATOM 329 O VAL A 22 -0.954 2.682 14.086 1.00 0.00 O ATOM 330 CB VAL A 22 1.906 3.078 12.951 1.00 0.00 C ATOM 331 CG1 VAL A 22 3.328 2.829 13.419 1.00 0.00 C ATOM 332 CG2 VAL A 22 1.900 3.539 11.501 1.00 0.00 C ATOM 0 H VAL A 22 1.439 1.148 11.167 1.00 0.00 H new ATOM 0 HA VAL A 22 1.284 1.351 14.090 1.00 0.00 H new ATOM 0 HB VAL A 22 1.468 3.868 13.562 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.918 3.737 13.291 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.320 2.547 14.472 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.769 2.024 12.831 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.506 4.439 11.403 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.312 2.753 10.868 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.877 3.755 11.192 1.00 0.00 H new ATOM 342 N GLY A 23 -1.083 1.957 11.971 1.00 0.00 N ATOM 343 CA GLY A 23 -2.515 2.153 11.920 1.00 0.00 C ATOM 344 C GLY A 23 -2.901 3.260 10.971 1.00 0.00 C ATOM 345 O GLY A 23 -3.809 4.040 11.240 1.00 0.00 O ATOM 0 H GLY A 23 -0.657 1.644 11.099 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.997 1.226 11.610 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.885 2.386 12.919 1.00 0.00 H new ATOM 349 N LEU A 24 -2.188 3.344 9.866 1.00 0.00 N ATOM 350 CA LEU A 24 -2.439 4.365 8.863 1.00 0.00 C ATOM 351 C LEU A 24 -3.310 3.801 7.754 1.00 0.00 C ATOM 352 O LEU A 24 -3.891 4.535 6.955 1.00 0.00 O ATOM 353 CB LEU A 24 -1.111 4.875 8.303 1.00 0.00 C ATOM 354 CG LEU A 24 -0.429 5.985 9.116 1.00 0.00 C ATOM 355 CD1 LEU A 24 -0.655 5.820 10.604 1.00 0.00 C ATOM 356 CD2 LEU A 24 1.056 6.024 8.818 1.00 0.00 C ATOM 0 H LEU A 24 -1.422 2.711 9.637 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.967 5.201 9.322 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.423 4.033 8.224 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.282 5.243 7.291 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.882 6.930 8.815 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.155 6.627 11.140 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.724 5.852 10.815 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.249 4.862 10.930 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.524 6.816 9.403 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.505 5.066 9.080 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.209 6.218 7.756 1.00 0.00 H new ATOM 368 N LEU A 25 -3.406 2.484 7.733 1.00 0.00 N ATOM 369 CA LEU A 25 -4.210 1.790 6.746 1.00 0.00 C ATOM 370 C LEU A 25 -5.548 1.387 7.327 1.00 0.00 C ATOM 371 O LEU A 25 -6.465 1.037 6.588 1.00 0.00 O ATOM 372 CB LEU A 25 -3.485 0.546 6.263 1.00 0.00 C ATOM 373 CG LEU A 25 -2.665 0.714 5.001 1.00 0.00 C ATOM 374 CD1 LEU A 25 -1.915 -0.567 4.718 1.00 0.00 C ATOM 375 CD2 LEU A 25 -3.552 1.101 3.831 1.00 0.00 C ATOM 0 H LEU A 25 -2.932 1.870 8.395 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.375 2.469 5.910 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.826 0.199 7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.222 -0.239 6.094 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.945 1.520 5.143 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.324 -0.449 3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.254 -0.794 5.555 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.626 -1.383 4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.942 1.216 2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.296 0.322 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.055 2.043 4.052 1.00 0.00 H new ATOM 387 N GLU A 26 -5.642 1.435 8.648 1.00 0.00 N ATOM 388 CA GLU A 26 -6.841 1.010 9.350 1.00 0.00 C ATOM 389 C GLU A 26 -8.079 1.702 8.788 1.00 0.00 C ATOM 390 O GLU A 26 -8.143 2.931 8.678 1.00 0.00 O ATOM 391 CB GLU A 26 -6.719 1.254 10.858 1.00 0.00 C ATOM 392 CG GLU A 26 -6.676 2.719 11.243 1.00 0.00 C ATOM 393 CD GLU A 26 -6.657 2.928 12.743 1.00 0.00 C ATOM 394 OE1 GLU A 26 -7.742 2.911 13.360 1.00 0.00 O ATOM 395 OE2 GLU A 26 -5.561 3.112 13.314 1.00 0.00 O1- ATOM 0 H GLU A 26 -4.895 1.767 9.258 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.952 -0.063 9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.562 0.781 11.362 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.815 0.766 11.223 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.791 3.180 10.805 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.543 3.227 10.820 1.00 0.00 H new ATOM 402 N TYR A 27 -9.035 0.888 8.403 1.00 0.00 N ATOM 403 CA TYR A 27 -10.259 1.361 7.783 1.00 0.00 C ATOM 404 C TYR A 27 -11.443 0.557 8.292 1.00 0.00 C ATOM 405 O TYR A 27 -11.273 -0.391 9.061 1.00 0.00 O ATOM 406 CB TYR A 27 -10.165 1.225 6.258 1.00 0.00 C ATOM 407 CG TYR A 27 -9.965 -0.203 5.783 1.00 0.00 C ATOM 408 CD1 TYR A 27 -8.696 -0.761 5.712 1.00 0.00 C ATOM 409 CD2 TYR A 27 -11.047 -0.993 5.413 1.00 0.00 C ATOM 410 CE1 TYR A 27 -8.509 -2.060 5.288 1.00 0.00 C ATOM 411 CE2 TYR A 27 -10.866 -2.297 4.989 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.594 -2.826 4.930 1.00 0.00 C ATOM 413 OH TYR A 27 -9.405 -4.124 4.507 1.00 0.00 O ATOM 0 H TYR A 27 -8.989 -0.125 8.510 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.398 2.411 8.041 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.075 1.623 5.810 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.338 1.837 5.898 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.839 -0.167 5.994 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.045 -0.582 5.457 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.513 -2.475 5.237 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.717 -2.898 4.705 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.272 -4.528 4.292 1.00 0.00 H new ATOM 423 N GLU A 28 -12.630 0.929 7.851 1.00 0.00 N ATOM 424 CA GLU A 28 -13.834 0.187 8.161 1.00 0.00 C ATOM 425 C GLU A 28 -14.800 0.316 6.997 1.00 0.00 C ATOM 426 O GLU A 28 -14.973 1.403 6.451 1.00 0.00 O ATOM 427 CB GLU A 28 -14.471 0.704 9.453 1.00 0.00 C ATOM 428 CG GLU A 28 -15.643 -0.136 9.933 1.00 0.00 C ATOM 429 CD GLU A 28 -15.271 -1.591 10.123 1.00 0.00 C ATOM 430 OE1 GLU A 28 -14.759 -1.945 11.203 1.00 0.00 O1- ATOM 431 OE2 GLU A 28 -15.485 -2.390 9.189 1.00 0.00 O ATOM 0 H GLU A 28 -12.785 1.752 7.269 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.586 -0.863 8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.712 0.734 10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -14.809 1.728 9.297 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -16.014 0.267 10.875 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -16.458 -0.063 9.213 1.00 0.00 H new ATOM 438 N LEU A 29 -15.399 -0.791 6.600 1.00 0.00 N ATOM 439 CA LEU A 29 -16.300 -0.798 5.459 1.00 0.00 C ATOM 440 C LEU A 29 -17.699 -1.212 5.876 1.00 0.00 C ATOM 441 O LEU A 29 -17.875 -2.157 6.646 1.00 0.00 O ATOM 442 CB LEU A 29 -15.793 -1.759 4.381 1.00 0.00 C ATOM 443 CG LEU A 29 -14.391 -1.476 3.849 1.00 0.00 C ATOM 444 CD1 LEU A 29 -13.974 -2.565 2.878 1.00 0.00 C ATOM 445 CD2 LEU A 29 -14.334 -0.116 3.174 1.00 0.00 C ATOM 0 H LEU A 29 -15.279 -1.698 7.050 1.00 0.00 H new ATOM 0 HA LEU A 29 -16.333 0.215 5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -15.811 -2.771 4.785 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.491 -1.738 3.544 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.698 -1.467 4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.972 -2.355 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.976 -3.528 3.389 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.674 -2.596 2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.325 0.064 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -15.037 -0.094 2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.599 0.659 3.893 1.00 0.00 H new ATOM 457 N SER A 30 -18.686 -0.494 5.376 1.00 0.00 N ATOM 458 CA SER A 30 -20.076 -0.867 5.571 1.00 0.00 C ATOM 459 C SER A 30 -20.491 -1.884 4.516 1.00 0.00 C ATOM 460 O SER A 30 -19.706 -2.193 3.617 1.00 0.00 O ATOM 461 CB SER A 30 -20.968 0.371 5.489 1.00 0.00 C ATOM 462 OG SER A 30 -20.745 1.072 4.278 1.00 0.00 O ATOM 0 H SER A 30 -18.551 0.356 4.828 1.00 0.00 H new ATOM 0 HA SER A 30 -20.189 -1.315 6.558 1.00 0.00 H new ATOM 0 HB2 SER A 30 -22.015 0.076 5.556 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.767 1.027 6.336 1.00 0.00 H new ATOM 0 HG SER A 30 -19.945 1.631 4.366 1.00 0.00 H new ATOM 468 N GLN A 31 -21.708 -2.403 4.610 1.00 0.00 N ATOM 469 CA GLN A 31 -22.201 -3.345 3.615 1.00 0.00 C ATOM 470 C GLN A 31 -22.163 -2.715 2.229 1.00 0.00 C ATOM 471 O GLN A 31 -21.769 -3.359 1.259 1.00 0.00 O ATOM 472 CB GLN A 31 -23.621 -3.801 3.950 1.00 0.00 C ATOM 473 CG GLN A 31 -23.707 -4.662 5.199 1.00 0.00 C ATOM 474 CD GLN A 31 -22.863 -5.919 5.103 1.00 0.00 C ATOM 475 OE1 GLN A 31 -23.324 -6.957 4.631 1.00 0.00 O ATOM 476 NE2 GLN A 31 -21.626 -5.839 5.558 1.00 0.00 N ATOM 0 H GLN A 31 -22.367 -2.190 5.359 1.00 0.00 H new ATOM 0 HA GLN A 31 -21.552 -4.220 3.624 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -24.254 -2.923 4.080 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.022 -4.361 3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -23.385 -4.078 6.061 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -24.747 -4.940 5.373 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -21.280 -4.960 5.942 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -21.017 -6.656 5.525 1.00 0.00 H new ATOM 485 N GLN A 32 -22.548 -1.446 2.157 1.00 0.00 N ATOM 486 CA GLN A 32 -22.516 -0.696 0.910 1.00 0.00 C ATOM 487 C GLN A 32 -21.097 -0.617 0.356 1.00 0.00 C ATOM 488 O GLN A 32 -20.858 -0.924 -0.811 1.00 0.00 O ATOM 489 CB GLN A 32 -23.055 0.714 1.138 1.00 0.00 C ATOM 490 CG GLN A 32 -23.383 1.449 -0.148 1.00 0.00 C ATOM 491 CD GLN A 32 -24.402 0.699 -0.972 1.00 0.00 C ATOM 492 OE1 GLN A 32 -24.053 -0.109 -1.833 1.00 0.00 O ATOM 493 NE2 GLN A 32 -25.670 0.938 -0.697 1.00 0.00 N ATOM 0 H GLN A 32 -22.889 -0.912 2.957 1.00 0.00 H new ATOM 0 HA GLN A 32 -23.142 -1.215 0.185 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -23.952 0.657 1.754 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -22.319 1.290 1.699 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -23.764 2.443 0.087 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -22.473 1.587 -0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -25.916 1.616 0.024 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -26.404 0.445 -1.206 1.00 0.00 H new ATOM 502 N GLU A 33 -20.160 -0.218 1.207 1.00 0.00 N ATOM 503 CA GLU A 33 -18.768 -0.062 0.801 1.00 0.00 C ATOM 504 C GLU A 33 -18.160 -1.402 0.397 1.00 0.00 C ATOM 505 O GLU A 33 -17.301 -1.465 -0.474 1.00 0.00 O ATOM 506 CB GLU A 33 -17.956 0.565 1.930 1.00 0.00 C ATOM 507 CG GLU A 33 -18.407 1.971 2.282 1.00 0.00 C ATOM 508 CD GLU A 33 -17.716 2.511 3.513 1.00 0.00 C ATOM 509 OE1 GLU A 33 -18.202 2.243 4.633 1.00 0.00 O ATOM 510 OE2 GLU A 33 -16.693 3.214 3.371 1.00 0.00 O1- ATOM 0 H GLU A 33 -20.339 0.004 2.186 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.741 0.598 -0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -18.030 -0.066 2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.905 0.589 1.643 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.210 2.634 1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -19.485 1.973 2.444 1.00 0.00 H new ATOM 517 N LYS A 34 -18.622 -2.472 1.021 1.00 0.00 N ATOM 518 CA LYS A 34 -18.134 -3.802 0.695 1.00 0.00 C ATOM 519 C LYS A 34 -18.772 -4.299 -0.596 1.00 0.00 C ATOM 520 O LYS A 34 -18.146 -5.006 -1.385 1.00 0.00 O ATOM 521 CB LYS A 34 -18.427 -4.774 1.839 1.00 0.00 C ATOM 522 CG LYS A 34 -17.566 -4.542 3.067 1.00 0.00 C ATOM 523 CD LYS A 34 -17.938 -5.489 4.193 1.00 0.00 C ATOM 524 CE LYS A 34 -17.034 -5.305 5.400 1.00 0.00 C ATOM 525 NZ LYS A 34 -17.435 -6.180 6.531 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.331 -2.447 1.753 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.055 -3.749 0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -19.477 -4.687 2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -18.275 -5.794 1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -16.516 -4.678 2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.680 -3.512 3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -18.974 -5.319 4.485 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.871 -6.518 3.841 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.004 -5.524 5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.062 -4.263 5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.794 -6.024 7.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.409 -5.954 6.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.384 -7.176 6.235 1.00 0.00 H new ATOM 539 N ASP A 35 -20.011 -3.883 -0.823 1.00 0.00 N ATOM 540 CA ASP A 35 -20.787 -4.338 -1.969 1.00 0.00 C ATOM 541 C ASP A 35 -20.192 -3.821 -3.273 1.00 0.00 C ATOM 542 O ASP A 35 -20.269 -4.480 -4.306 1.00 0.00 O ATOM 543 CB ASP A 35 -22.238 -3.870 -1.832 1.00 0.00 C ATOM 544 CG ASP A 35 -23.156 -4.477 -2.876 1.00 0.00 C ATOM 545 OD1 ASP A 35 -23.551 -5.650 -2.718 1.00 0.00 O1- ATOM 546 OD2 ASP A 35 -23.490 -3.783 -3.859 1.00 0.00 O ATOM 0 H ASP A 35 -20.504 -3.224 -0.221 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.759 -5.427 -1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.605 -4.128 -0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -22.273 -2.784 -1.913 1.00 0.00 H new ATOM 551 N VAL A 36 -19.576 -2.650 -3.215 1.00 0.00 N ATOM 552 CA VAL A 36 -19.007 -2.035 -4.403 1.00 0.00 C ATOM 553 C VAL A 36 -17.608 -2.575 -4.695 1.00 0.00 C ATOM 554 O VAL A 36 -17.136 -2.522 -5.830 1.00 0.00 O ATOM 555 CB VAL A 36 -18.950 -0.497 -4.277 1.00 0.00 C ATOM 556 CG1 VAL A 36 -20.345 0.075 -4.071 1.00 0.00 C ATOM 557 CG2 VAL A 36 -18.028 -0.076 -3.144 1.00 0.00 C ATOM 0 H VAL A 36 -19.458 -2.108 -2.359 1.00 0.00 H new ATOM 0 HA VAL A 36 -19.665 -2.292 -5.233 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.546 -0.098 -5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -20.284 1.160 -3.984 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.975 -0.186 -4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -20.777 -0.338 -3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.006 1.012 -3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.394 -0.490 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -17.022 -0.448 -3.337 1.00 0.00 H new ATOM 567 N LEU A 37 -16.951 -3.103 -3.670 1.00 0.00 N ATOM 568 CA LEU A 37 -15.586 -3.598 -3.817 1.00 0.00 C ATOM 569 C LEU A 37 -15.576 -5.088 -4.117 1.00 0.00 C ATOM 570 O LEU A 37 -14.974 -5.529 -5.096 1.00 0.00 O ATOM 571 CB LEU A 37 -14.781 -3.320 -2.548 1.00 0.00 C ATOM 572 CG LEU A 37 -14.783 -1.863 -2.095 1.00 0.00 C ATOM 573 CD1 LEU A 37 -13.963 -1.692 -0.827 1.00 0.00 C ATOM 574 CD2 LEU A 37 -14.254 -0.960 -3.198 1.00 0.00 C ATOM 0 H LEU A 37 -17.338 -3.200 -2.731 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.127 -3.074 -4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.177 -3.937 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.750 -3.633 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.812 -1.575 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.978 -0.646 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.387 -2.307 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.934 -2.000 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.263 0.075 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.234 -1.251 -3.448 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.886 -1.056 -4.081 1.00 0.00 H new ATOM 659 N LYS B 43 -0.876 8.393 12.900 1.00 0.00 N ATOM 660 CA LYS B 43 0.388 7.972 13.494 1.00 0.00 C ATOM 661 C LYS B 43 1.516 8.174 12.494 1.00 0.00 C ATOM 662 O LYS B 43 1.268 8.471 11.326 1.00 0.00 O ATOM 663 CB LYS B 43 0.324 6.498 13.919 1.00 0.00 C ATOM 664 CG LYS B 43 -0.933 6.139 14.701 1.00 0.00 C ATOM 665 CD LYS B 43 -2.063 5.696 13.777 1.00 0.00 C ATOM 666 CE LYS B 43 -3.422 6.138 14.292 1.00 0.00 C ATOM 667 NZ LYS B 43 -4.541 5.581 13.482 1.00 0.00 N1+ ATOM 0 HA LYS B 43 0.575 8.578 14.380 1.00 0.00 H new ATOM 0 HB2 LYS B 43 0.379 5.870 13.030 1.00 0.00 H new ATOM 0 HB3 LYS B 43 1.198 6.266 14.528 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -0.707 5.341 15.408 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -1.257 7.000 15.285 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -1.900 6.108 12.781 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -2.047 4.611 13.679 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -3.535 5.823 15.329 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -3.476 7.227 14.282 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -5.351 6.233 13.514 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -4.231 5.463 12.496 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -4.824 4.658 13.869 1.00 0.00 H new ATOM 681 N THR B 44 2.749 8.027 12.952 1.00 0.00 N ATOM 682 CA THR B 44 3.902 8.187 12.082 1.00 0.00 C ATOM 683 C THR B 44 4.467 6.845 11.658 1.00 0.00 C ATOM 684 O THR B 44 4.130 5.809 12.231 1.00 0.00 O ATOM 685 CB THR B 44 5.005 9.009 12.757 1.00 0.00 C ATOM 686 OG1 THR B 44 5.074 8.700 14.154 1.00 0.00 O ATOM 687 CG2 THR B 44 4.761 10.490 12.557 1.00 0.00 C ATOM 0 H THR B 44 2.976 7.798 13.920 1.00 0.00 H new ATOM 0 HA THR B 44 3.554 8.721 11.198 1.00 0.00 H new ATOM 0 HB THR B 44 5.958 8.750 12.296 1.00 0.00 H new ATOM 0 HG1 THR B 44 5.784 9.231 14.572 1.00 0.00 H new ATOM 0 HG21 THR B 44 5.554 11.058 13.043 1.00 0.00 H new ATOM 0 HG22 THR B 44 4.753 10.717 11.491 1.00 0.00 H new ATOM 0 HG23 THR B 44 3.800 10.763 12.993 1.00 0.00 H new ATOM 695 N LEU B 45 5.335 6.874 10.661 1.00 0.00 N ATOM 696 CA LEU B 45 5.908 5.655 10.116 1.00 0.00 C ATOM 697 C LEU B 45 7.051 5.137 10.970 1.00 0.00 C ATOM 698 O LEU B 45 7.424 5.747 11.973 1.00 0.00 O ATOM 699 CB LEU B 45 6.388 5.875 8.683 1.00 0.00 C ATOM 700 CG LEU B 45 5.281 6.212 7.693 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.819 6.262 6.279 1.00 0.00 C ATOM 702 CD2 LEU B 45 4.173 5.193 7.804 1.00 0.00 C ATOM 0 H LEU B 45 5.659 7.730 10.212 1.00 0.00 H new ATOM 0 HA LEU B 45 5.119 4.903 10.117 1.00 0.00 H new ATOM 0 HB2 LEU B 45 7.121 6.682 8.678 1.00 0.00 H new ATOM 0 HB3 LEU B 45 6.902 4.976 8.343 1.00 0.00 H new ATOM 0 HG LEU B 45 4.883 7.198 7.933 1.00 0.00 H new ATOM 0 HD11 LEU B 45 5.010 6.504 5.590 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.594 7.025 6.211 1.00 0.00 H new ATOM 0 HD13 LEU B 45 6.241 5.292 6.016 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.382 5.437 7.094 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.567 4.201 7.582 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.768 5.204 8.816 1.00 0.00 H new ATOM 714 N LYS B 46 7.609 4.017 10.555 1.00 0.00 N ATOM 715 CA LYS B 46 8.660 3.367 11.309 1.00 0.00 C ATOM 716 C LYS B 46 10.009 3.904 10.857 1.00 0.00 C ATOM 717 O LYS B 46 10.850 4.294 11.670 1.00 0.00 O ATOM 718 CB LYS B 46 8.602 1.853 11.101 1.00 0.00 C ATOM 719 CG LYS B 46 7.194 1.264 11.135 1.00 0.00 C ATOM 720 CD LYS B 46 6.407 1.698 12.359 1.00 0.00 C ATOM 721 CE LYS B 46 7.032 1.200 13.653 1.00 0.00 C ATOM 722 NZ LYS B 46 7.067 -0.286 13.720 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.349 3.536 9.694 1.00 0.00 H new ATOM 0 HA LYS B 46 8.523 3.576 12.370 1.00 0.00 H new ATOM 0 HB2 LYS B 46 9.060 1.613 10.141 1.00 0.00 H new ATOM 0 HB3 LYS B 46 9.203 1.370 11.871 1.00 0.00 H new ATOM 0 HG2 LYS B 46 6.656 1.566 10.236 1.00 0.00 H new ATOM 0 HG3 LYS B 46 7.259 0.176 11.117 1.00 0.00 H new ATOM 0 HD2 LYS B 46 6.347 2.786 12.382 1.00 0.00 H new ATOM 0 HD3 LYS B 46 5.386 1.324 12.283 1.00 0.00 H new ATOM 0 HE2 LYS B 46 8.046 1.591 13.740 1.00 0.00 H new ATOM 0 HE3 LYS B 46 6.467 1.588 14.501 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 7.307 -0.584 14.687 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 6.134 -0.667 13.462 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 7.784 -0.647 13.058 1.00 0.00 H new ATOM 736 N THR B 47 10.198 3.932 9.549 1.00 0.00 N ATOM 737 CA THR B 47 11.403 4.475 8.963 1.00 0.00 C ATOM 738 C THR B 47 11.242 5.972 8.732 1.00 0.00 C ATOM 739 O THR B 47 10.277 6.412 8.115 1.00 0.00 O ATOM 740 CB THR B 47 11.720 3.794 7.620 1.00 0.00 C ATOM 741 OG1 THR B 47 11.776 2.373 7.793 1.00 0.00 O ATOM 742 CG2 THR B 47 13.041 4.301 7.064 1.00 0.00 C ATOM 0 H THR B 47 9.523 3.580 8.870 1.00 0.00 H new ATOM 0 HA THR B 47 12.224 4.291 9.656 1.00 0.00 H new ATOM 0 HB THR B 47 10.928 4.038 6.912 1.00 0.00 H new ATOM 0 HG1 THR B 47 10.921 1.977 7.524 1.00 0.00 H new ATOM 0 HG21 THR B 47 13.249 3.809 6.114 1.00 0.00 H new ATOM 0 HG22 THR B 47 12.981 5.378 6.909 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.842 4.080 7.770 1.00 0.00 H new ATOM 750 N LYS B 48 12.194 6.744 9.231 1.00 0.00 N ATOM 751 CA LYS B 48 12.164 8.193 9.096 1.00 0.00 C ATOM 752 C LYS B 48 12.298 8.609 7.638 1.00 0.00 C ATOM 753 O LYS B 48 11.687 9.587 7.207 1.00 0.00 O ATOM 754 CB LYS B 48 13.280 8.818 9.930 1.00 0.00 C ATOM 755 CG LYS B 48 13.309 10.343 9.891 1.00 0.00 C ATOM 756 CD LYS B 48 11.957 10.963 10.232 1.00 0.00 C ATOM 757 CE LYS B 48 11.484 10.571 11.622 1.00 0.00 C ATOM 758 NZ LYS B 48 10.230 11.271 11.998 1.00 0.00 N1+ ATOM 0 H LYS B 48 13.004 6.388 9.738 1.00 0.00 H new ATOM 0 HA LYS B 48 11.202 8.552 9.462 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.170 8.494 10.965 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.239 8.438 9.577 1.00 0.00 H new ATOM 0 HG2 LYS B 48 14.059 10.707 10.593 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.616 10.672 8.898 1.00 0.00 H new ATOM 0 HD2 LYS B 48 12.029 12.049 10.167 1.00 0.00 H new ATOM 0 HD3 LYS B 48 11.218 10.648 9.495 1.00 0.00 H new ATOM 0 HE2 LYS B 48 11.324 9.494 11.661 1.00 0.00 H new ATOM 0 HE3 LYS B 48 12.262 10.804 12.349 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.950 10.989 12.959 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 10.384 12.299 11.970 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 9.476 11.016 11.329 1.00 0.00 H new ATOM 772 N ALA B 49 13.088 7.855 6.879 1.00 0.00 N ATOM 773 CA ALA B 49 13.245 8.107 5.451 1.00 0.00 C ATOM 774 C ALA B 49 11.920 7.929 4.722 1.00 0.00 C ATOM 775 O ALA B 49 11.735 8.436 3.623 1.00 0.00 O ATOM 776 CB ALA B 49 14.303 7.184 4.859 1.00 0.00 C ATOM 0 H ALA B 49 13.629 7.065 7.229 1.00 0.00 H new ATOM 0 HA ALA B 49 13.572 9.139 5.322 1.00 0.00 H new ATOM 0 HB1 ALA B 49 14.407 7.386 3.793 1.00 0.00 H new ATOM 0 HB2 ALA B 49 15.257 7.358 5.356 1.00 0.00 H new ATOM 0 HB3 ALA B 49 14.003 6.146 5.004 1.00 0.00 H new ATOM 782 N PHE B 50 11.003 7.202 5.351 1.00 0.00 N ATOM 783 CA PHE B 50 9.672 6.987 4.805 1.00 0.00 C ATOM 784 C PHE B 50 8.685 7.973 5.419 1.00 0.00 C ATOM 785 O PHE B 50 7.864 8.570 4.718 1.00 0.00 O ATOM 786 CB PHE B 50 9.210 5.553 5.087 1.00 0.00 C ATOM 787 CG PHE B 50 9.799 4.511 4.175 1.00 0.00 C ATOM 788 CD1 PHE B 50 11.099 4.617 3.708 1.00 0.00 C ATOM 789 CD2 PHE B 50 9.042 3.418 3.793 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.632 3.651 2.873 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.568 2.450 2.958 1.00 0.00 C ATOM 792 CZ PHE B 50 10.865 2.567 2.498 1.00 0.00 C ATOM 0 H PHE B 50 11.162 6.748 6.250 1.00 0.00 H new ATOM 0 HA PHE B 50 9.710 7.145 3.727 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.463 5.300 6.117 1.00 0.00 H new ATOM 0 HB3 PHE B 50 8.124 5.514 5.007 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.703 5.463 3.999 1.00 0.00 H new ATOM 0 HD2 PHE B 50 8.028 3.320 4.151 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.647 3.745 2.515 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.965 1.603 2.666 1.00 0.00 H new ATOM 0 HZ PHE B 50 11.278 1.812 1.846 1.00 0.00 H new ATOM 802 N ASP B 51 8.786 8.137 6.737 1.00 0.00 N ATOM 803 CA ASP B 51 7.903 9.026 7.495 1.00 0.00 C ATOM 804 C ASP B 51 7.948 10.439 6.936 1.00 0.00 C ATOM 805 O ASP B 51 6.935 11.135 6.901 1.00 0.00 O ATOM 806 CB ASP B 51 8.305 9.040 8.974 1.00 0.00 C ATOM 807 CG ASP B 51 7.423 9.941 9.812 1.00 0.00 C ATOM 808 OD1 ASP B 51 6.196 9.712 9.847 1.00 0.00 O ATOM 809 OD2 ASP B 51 7.966 10.865 10.463 1.00 0.00 O1- ATOM 0 H ASP B 51 9.481 7.659 7.310 1.00 0.00 H new ATOM 0 HA ASP B 51 6.884 8.649 7.404 1.00 0.00 H new ATOM 0 HB2 ASP B 51 8.259 8.025 9.368 1.00 0.00 H new ATOM 0 HB3 ASP B 51 9.340 9.369 9.061 1.00 0.00 H new ATOM 814 N ASP B 52 9.131 10.841 6.483 1.00 0.00 N ATOM 815 CA ASP B 52 9.333 12.160 5.896 1.00 0.00 C ATOM 816 C ASP B 52 8.296 12.453 4.821 1.00 0.00 C ATOM 817 O ASP B 52 7.623 13.477 4.863 1.00 0.00 O ATOM 818 CB ASP B 52 10.737 12.266 5.302 1.00 0.00 C ATOM 819 CG ASP B 52 10.984 13.608 4.638 1.00 0.00 C ATOM 820 OD1 ASP B 52 11.317 14.577 5.353 1.00 0.00 O ATOM 821 OD2 ASP B 52 10.857 13.693 3.400 1.00 0.00 O1- ATOM 0 H ASP B 52 9.972 10.265 6.512 1.00 0.00 H new ATOM 0 HA ASP B 52 9.220 12.898 6.690 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.474 12.112 6.090 1.00 0.00 H new ATOM 0 HB3 ASP B 52 10.881 11.470 4.571 1.00 0.00 H new ATOM 826 N ILE B 53 8.139 11.533 3.885 1.00 0.00 N ATOM 827 CA ILE B 53 7.229 11.735 2.768 1.00 0.00 C ATOM 828 C ILE B 53 5.786 11.776 3.245 1.00 0.00 C ATOM 829 O ILE B 53 4.999 12.596 2.780 1.00 0.00 O ATOM 830 CB ILE B 53 7.385 10.636 1.699 1.00 0.00 C ATOM 831 CG1 ILE B 53 8.810 10.629 1.155 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.387 10.817 0.564 1.00 0.00 C ATOM 833 CD1 ILE B 53 9.728 9.682 1.879 1.00 0.00 C ATOM 0 H ILE B 53 8.629 10.639 3.875 1.00 0.00 H new ATOM 0 HA ILE B 53 7.487 12.693 2.317 1.00 0.00 H new ATOM 0 HB ILE B 53 7.179 9.676 2.173 1.00 0.00 H new ATOM 0 HG12 ILE B 53 8.785 10.361 0.099 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.219 11.637 1.218 1.00 0.00 H new ATOM 0 HG21 ILE B 53 6.525 10.025 -0.172 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.373 10.771 0.961 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.547 11.785 0.089 1.00 0.00 H new ATOM 0 HD11 ILE B 53 10.723 9.731 1.437 1.00 0.00 H new ATOM 0 HD12 ILE B 53 9.784 9.962 2.931 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.343 8.666 1.794 1.00 0.00 H new ATOM 845 N TYR B 54 5.457 10.913 4.195 1.00 0.00 N ATOM 846 CA TYR B 54 4.105 10.843 4.728 1.00 0.00 C ATOM 847 C TYR B 54 3.716 12.167 5.384 1.00 0.00 C ATOM 848 O TYR B 54 2.560 12.585 5.325 1.00 0.00 O ATOM 849 CB TYR B 54 3.993 9.694 5.736 1.00 0.00 C ATOM 850 CG TYR B 54 2.582 9.445 6.224 1.00 0.00 C ATOM 851 CD1 TYR B 54 1.649 8.816 5.409 1.00 0.00 C ATOM 852 CD2 TYR B 54 2.183 9.838 7.494 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.358 8.589 5.847 1.00 0.00 C ATOM 854 CE2 TYR B 54 0.896 9.613 7.939 1.00 0.00 C ATOM 855 CZ TYR B 54 -0.013 8.989 7.113 1.00 0.00 C ATOM 856 OH TYR B 54 -1.300 8.772 7.551 1.00 0.00 O ATOM 0 H TYR B 54 6.110 10.250 4.613 1.00 0.00 H new ATOM 0 HA TYR B 54 3.417 10.654 3.904 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.375 8.782 5.277 1.00 0.00 H new ATOM 0 HB3 TYR B 54 4.631 9.911 6.593 1.00 0.00 H new ATOM 0 HD1 TYR B 54 1.937 8.499 4.417 1.00 0.00 H new ATOM 0 HD2 TYR B 54 2.892 10.328 8.145 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -0.356 8.101 5.201 1.00 0.00 H new ATOM 0 HE2 TYR B 54 0.603 9.925 8.931 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.930 9.232 6.957 1.00 0.00 H new ATOM 866 N GLN B 55 4.690 12.836 5.988 1.00 0.00 N ATOM 867 CA GLN B 55 4.441 14.105 6.661 1.00 0.00 C ATOM 868 C GLN B 55 4.544 15.271 5.684 1.00 0.00 C ATOM 869 O GLN B 55 3.950 16.327 5.895 1.00 0.00 O ATOM 870 CB GLN B 55 5.438 14.308 7.806 1.00 0.00 C ATOM 871 CG GLN B 55 5.497 13.146 8.783 1.00 0.00 C ATOM 872 CD GLN B 55 4.144 12.797 9.369 1.00 0.00 C ATOM 873 OE1 GLN B 55 3.282 13.662 9.542 1.00 0.00 O ATOM 874 NE2 GLN B 55 3.950 11.527 9.678 1.00 0.00 N ATOM 0 H GLN B 55 5.660 12.521 6.026 1.00 0.00 H new ATOM 0 HA GLN B 55 3.429 14.074 7.065 1.00 0.00 H new ATOM 0 HB2 GLN B 55 6.431 14.468 7.386 1.00 0.00 H new ATOM 0 HB3 GLN B 55 5.172 15.214 8.350 1.00 0.00 H new ATOM 0 HG2 GLN B 55 5.903 12.271 8.275 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.185 13.393 9.592 1.00 0.00 H new ATOM 0 HE21 GLN B 55 4.691 10.844 9.518 1.00 0.00 H new ATOM 0 HE22 GLN B 55 3.059 11.229 10.076 1.00 0.00 H new ATOM 883 N ASN B 56 5.285 15.067 4.605 1.00 0.00 N ATOM 884 CA ASN B 56 5.577 16.137 3.656 1.00 0.00 C ATOM 885 C ASN B 56 4.766 16.004 2.375 1.00 0.00 C ATOM 886 O ASN B 56 5.097 16.613 1.358 1.00 0.00 O ATOM 887 CB ASN B 56 7.068 16.149 3.314 1.00 0.00 C ATOM 888 CG ASN B 56 7.909 16.793 4.401 1.00 0.00 C ATOM 889 OD1 ASN B 56 8.159 17.996 4.378 1.00 0.00 O ATOM 890 ND2 ASN B 56 8.342 16.002 5.366 1.00 0.00 N ATOM 0 H ASN B 56 5.698 14.167 4.362 1.00 0.00 H new ATOM 0 HA ASN B 56 5.298 17.075 4.135 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.409 15.126 3.154 1.00 0.00 H new ATOM 0 HB3 ASN B 56 7.218 16.686 2.377 1.00 0.00 H new ATOM 0 HD21 ASN B 56 8.904 16.385 6.126 1.00 0.00 H new ATOM 0 HD22 ASN B 56 8.114 15.008 5.351 1.00 0.00 H new ATOM 897 N SER B 57 3.709 15.211 2.418 1.00 0.00 N ATOM 898 CA SER B 57 2.874 15.022 1.248 1.00 0.00 C ATOM 899 C SER B 57 1.411 14.940 1.646 1.00 0.00 C ATOM 900 O SER B 57 0.928 13.898 2.095 1.00 0.00 O ATOM 901 CB SER B 57 3.285 13.760 0.487 1.00 0.00 C ATOM 902 OG SER B 57 2.616 13.682 -0.758 1.00 0.00 O ATOM 0 H SER B 57 3.412 14.692 3.244 1.00 0.00 H new ATOM 0 HA SER B 57 3.011 15.881 0.592 1.00 0.00 H new ATOM 0 HB2 SER B 57 4.363 13.762 0.326 1.00 0.00 H new ATOM 0 HB3 SER B 57 3.054 12.878 1.085 1.00 0.00 H new ATOM 0 HG SER B 57 3.257 13.831 -1.484 1.00 0.00 H new ATOM 908 N ALA B 58 0.708 16.045 1.485 1.00 0.00 N ATOM 909 CA ALA B 58 -0.711 16.089 1.776 1.00 0.00 C ATOM 910 C ALA B 58 -1.499 15.413 0.663 1.00 0.00 C ATOM 911 O ALA B 58 -2.624 14.956 0.875 1.00 0.00 O ATOM 912 CB ALA B 58 -1.166 17.523 1.964 1.00 0.00 C ATOM 0 H ALA B 58 1.099 16.927 1.153 1.00 0.00 H new ATOM 0 HA ALA B 58 -0.896 15.548 2.704 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.234 17.540 2.182 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -0.619 17.973 2.793 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -0.973 18.089 1.053 1.00 0.00 H new ATOM 918 N GLU B 59 -0.888 15.325 -0.515 1.00 0.00 N ATOM 919 CA GLU B 59 -1.534 14.711 -1.664 1.00 0.00 C ATOM 920 C GLU B 59 -1.437 13.193 -1.574 1.00 0.00 C ATOM 921 O GLU B 59 -2.256 12.474 -2.139 1.00 0.00 O ATOM 922 CB GLU B 59 -0.914 15.232 -2.964 1.00 0.00 C ATOM 923 CG GLU B 59 0.606 15.209 -2.982 1.00 0.00 C ATOM 924 CD GLU B 59 1.191 15.748 -4.274 1.00 0.00 C ATOM 925 OE1 GLU B 59 0.456 15.826 -5.281 1.00 0.00 O1- ATOM 926 OE2 GLU B 59 2.390 16.100 -4.287 1.00 0.00 O ATOM 0 H GLU B 59 0.054 15.672 -0.696 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.590 14.981 -1.665 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -1.285 14.633 -3.796 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -1.253 16.254 -3.131 1.00 0.00 H new ATOM 0 HG2 GLU B 59 0.983 15.797 -2.145 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.950 14.186 -2.833 1.00 0.00 H new ATOM 933 N LEU B 60 -0.435 12.717 -0.847 1.00 0.00 N ATOM 934 CA LEU B 60 -0.295 11.294 -0.570 1.00 0.00 C ATOM 935 C LEU B 60 -1.175 10.935 0.626 1.00 0.00 C ATOM 936 O LEU B 60 -1.780 9.864 0.679 1.00 0.00 O ATOM 937 CB LEU B 60 1.184 10.970 -0.295 1.00 0.00 C ATOM 938 CG LEU B 60 1.608 9.493 -0.374 1.00 0.00 C ATOM 939 CD1 LEU B 60 1.261 8.741 0.900 1.00 0.00 C ATOM 940 CD2 LEU B 60 0.971 8.820 -1.578 1.00 0.00 C ATOM 0 H LEU B 60 0.296 13.299 -0.437 1.00 0.00 H new ATOM 0 HA LEU B 60 -0.616 10.703 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.791 11.534 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU B 60 1.431 11.339 0.700 1.00 0.00 H new ATOM 0 HG LEU B 60 2.692 9.467 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.576 7.702 0.806 1.00 0.00 H new ATOM 0 HD12 LEU B 60 1.774 9.201 1.745 1.00 0.00 H new ATOM 0 HD13 LEU B 60 0.184 8.781 1.064 1.00 0.00 H new ATOM 0 HD21 LEU B 60 1.282 7.776 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -0.114 8.872 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU B 60 1.288 9.328 -2.489 1.00 0.00 H new ATOM 952 N GLN B 61 -1.264 11.869 1.567 1.00 0.00 N ATOM 953 CA GLN B 61 -2.031 11.684 2.785 1.00 0.00 C ATOM 954 C GLN B 61 -3.525 11.562 2.496 1.00 0.00 C ATOM 955 O GLN B 61 -4.217 10.746 3.107 1.00 0.00 O ATOM 956 CB GLN B 61 -1.783 12.859 3.739 1.00 0.00 C ATOM 957 CG GLN B 61 -2.583 12.774 5.026 1.00 0.00 C ATOM 958 CD GLN B 61 -2.158 11.609 5.891 1.00 0.00 C ATOM 959 OE1 GLN B 61 -2.676 10.434 5.578 1.00 0.00 O flip ATOM 960 NE2 GLN B 61 -1.338 11.757 6.798 1.00 0.00 N flip ATOM 0 H GLN B 61 -0.803 12.777 1.502 1.00 0.00 H new ATOM 0 HA GLN B 61 -1.702 10.755 3.249 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -0.721 12.901 3.983 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -2.030 13.790 3.228 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.465 13.701 5.586 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -3.642 12.679 4.787 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -0.966 12.684 7.003 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -1.031 10.952 7.344 1.00 0.00 H new ATOM 969 N GLU B 62 -4.017 12.363 1.559 1.00 0.00 N ATOM 970 CA GLU B 62 -5.451 12.443 1.307 1.00 0.00 C ATOM 971 C GLU B 62 -5.977 11.172 0.653 1.00 0.00 C ATOM 972 O GLU B 62 -7.163 10.861 0.751 1.00 0.00 O ATOM 973 CB GLU B 62 -5.783 13.654 0.438 1.00 0.00 C ATOM 974 CG GLU B 62 -5.269 13.562 -0.986 1.00 0.00 C ATOM 975 CD GLU B 62 -5.751 14.716 -1.835 1.00 0.00 C ATOM 976 OE1 GLU B 62 -5.079 15.769 -1.852 1.00 0.00 O1- ATOM 977 OE2 GLU B 62 -6.820 14.583 -2.470 1.00 0.00 O ATOM 0 H GLU B 62 -3.448 12.964 0.963 1.00 0.00 H new ATOM 0 HA GLU B 62 -5.943 12.556 2.273 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -6.865 13.783 0.413 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -5.366 14.546 0.905 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -4.179 13.547 -0.978 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -5.597 12.622 -1.430 1.00 0.00 H new ATOM 984 N LEU B 63 -5.089 10.438 0.005 1.00 0.00 N ATOM 985 CA LEU B 63 -5.470 9.221 -0.695 1.00 0.00 C ATOM 986 C LEU B 63 -5.803 8.114 0.301 1.00 0.00 C ATOM 987 O LEU B 63 -6.657 7.269 0.044 1.00 0.00 O ATOM 988 CB LEU B 63 -4.340 8.786 -1.628 1.00 0.00 C ATOM 989 CG LEU B 63 -3.880 9.861 -2.617 1.00 0.00 C ATOM 990 CD1 LEU B 63 -2.656 9.394 -3.380 1.00 0.00 C ATOM 991 CD2 LEU B 63 -4.999 10.223 -3.583 1.00 0.00 C ATOM 0 H LEU B 63 -4.096 10.664 -0.052 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.361 9.418 -1.291 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.487 8.477 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -4.667 7.911 -2.189 1.00 0.00 H new ATOM 0 HG LEU B 63 -3.616 10.753 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -2.344 10.171 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -1.847 9.189 -2.679 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -2.896 8.486 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -4.648 10.988 -4.276 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.298 9.337 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -5.854 10.604 -3.024 1.00 0.00 H new ATOM 1003 N LEU B 64 -5.154 8.154 1.456 1.00 0.00 N ATOM 1004 CA LEU B 64 -5.371 7.157 2.499 1.00 0.00 C ATOM 1005 C LEU B 64 -6.606 7.482 3.330 1.00 0.00 C ATOM 1006 O LEU B 64 -6.907 6.803 4.314 1.00 0.00 O ATOM 1007 CB LEU B 64 -4.141 7.067 3.399 1.00 0.00 C ATOM 1008 CG LEU B 64 -2.925 6.401 2.757 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -1.671 6.719 3.550 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -3.134 4.897 2.667 1.00 0.00 C ATOM 0 H LEU B 64 -4.469 8.870 1.697 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.536 6.194 2.016 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -3.863 8.073 3.713 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -4.407 6.514 4.300 1.00 0.00 H new ATOM 0 HG LEU B 64 -2.803 6.793 1.747 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -0.812 6.238 3.081 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -1.517 7.798 3.570 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -1.782 6.350 4.570 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -2.260 4.435 2.208 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -3.276 4.489 3.668 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -4.016 4.688 2.061 1.00 0.00 H new ATOM 1022 N LYS B 65 -7.318 8.526 2.935 1.00 0.00 N ATOM 1023 CA LYS B 65 -8.553 8.899 3.604 1.00 0.00 C ATOM 1024 C LYS B 65 -9.733 8.176 2.966 1.00 0.00 C ATOM 1025 O LYS B 65 -10.807 8.076 3.555 1.00 0.00 O ATOM 1026 CB LYS B 65 -8.758 10.411 3.534 1.00 0.00 C ATOM 1027 CG LYS B 65 -7.650 11.201 4.211 1.00 0.00 C ATOM 1028 CD LYS B 65 -7.855 12.698 4.054 1.00 0.00 C ATOM 1029 CE LYS B 65 -6.705 13.487 4.663 1.00 0.00 C ATOM 1030 NZ LYS B 65 -6.616 13.299 6.134 1.00 0.00 N1+ ATOM 0 H LYS B 65 -7.061 9.130 2.154 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.486 8.606 4.652 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -8.824 10.714 2.489 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -9.711 10.663 3.999 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -7.616 10.947 5.270 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -6.688 10.918 3.784 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -7.946 12.944 2.996 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -8.790 12.990 4.531 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -5.768 13.176 4.201 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -6.835 14.546 4.440 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -5.923 13.966 6.528 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -7.547 13.474 6.563 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -6.316 12.325 6.342 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.520 7.668 1.758 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.549 6.922 1.050 1.00 0.00 C ATOM 1046 C TYR B 66 -10.459 5.447 1.415 1.00 0.00 C ATOM 1047 O TYR B 66 -9.415 4.816 1.230 1.00 0.00 O ATOM 1048 CB TYR B 66 -10.389 7.082 -0.464 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.368 8.517 -0.935 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -11.540 9.253 -1.040 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -9.173 9.134 -1.275 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -11.522 10.564 -1.471 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -9.145 10.444 -1.707 1.00 0.00 C ATOM 1054 CZ TYR B 66 -10.322 11.155 -1.803 1.00 0.00 C ATOM 1055 OH TYR B 66 -10.296 12.463 -2.232 1.00 0.00 O ATOM 0 H TYR B 66 -8.641 7.760 1.249 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.522 7.315 1.343 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -9.464 6.596 -0.774 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -11.206 6.560 -0.962 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -12.482 8.792 -0.780 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -8.249 8.580 -1.200 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -12.443 11.123 -1.548 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -8.206 10.910 -1.968 1.00 0.00 H new ATOM 0 HH TYR B 66 -9.372 12.726 -2.424 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.556 4.903 1.927 1.00 0.00 N ATOM 1066 CA ASN B 67 -11.600 3.509 2.363 1.00 0.00 C ATOM 1067 C ASN B 67 -11.395 2.560 1.193 1.00 0.00 C ATOM 1068 O ASN B 67 -10.911 1.451 1.371 1.00 0.00 O ATOM 1069 CB ASN B 67 -12.934 3.180 3.045 1.00 0.00 C ATOM 1070 CG ASN B 67 -13.139 3.917 4.352 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -12.181 4.273 5.040 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -14.393 4.134 4.713 1.00 0.00 N ATOM 0 H ASN B 67 -12.433 5.408 2.052 1.00 0.00 H new ATOM 0 HA ASN B 67 -10.790 3.376 3.080 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -13.751 3.425 2.366 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.984 2.107 3.230 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -14.596 4.613 5.591 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -15.157 3.823 4.114 1.00 0.00 H new ATOM 1079 N THR B 68 -11.748 3.012 -0.002 1.00 0.00 N ATOM 1080 CA THR B 68 -11.621 2.198 -1.204 1.00 0.00 C ATOM 1081 C THR B 68 -10.150 2.012 -1.550 1.00 0.00 C ATOM 1082 O THR B 68 -9.713 0.941 -1.980 1.00 0.00 O ATOM 1083 CB THR B 68 -12.353 2.871 -2.387 1.00 0.00 C ATOM 1084 OG1 THR B 68 -13.760 2.933 -2.115 1.00 0.00 O ATOM 1085 CG2 THR B 68 -12.110 2.133 -3.697 1.00 0.00 C ATOM 0 H THR B 68 -12.127 3.945 -0.166 1.00 0.00 H new ATOM 0 HA THR B 68 -12.074 1.224 -1.017 1.00 0.00 H new ATOM 0 HB THR B 68 -11.953 3.879 -2.496 1.00 0.00 H new ATOM 0 HG1 THR B 68 -14.220 3.362 -2.867 1.00 0.00 H new ATOM 0 HG21 THR B 68 -12.642 2.638 -4.503 1.00 0.00 H new ATOM 0 HG22 THR B 68 -11.042 2.124 -3.917 1.00 0.00 H new ATOM 0 HG23 THR B 68 -12.472 1.108 -3.610 1.00 0.00 H new ATOM 1093 N VAL B 69 -9.397 3.062 -1.308 1.00 0.00 N ATOM 1094 CA VAL B 69 -7.988 3.103 -1.627 1.00 0.00 C ATOM 1095 C VAL B 69 -7.190 2.293 -0.620 1.00 0.00 C ATOM 1096 O VAL B 69 -6.480 1.348 -0.974 1.00 0.00 O ATOM 1097 CB VAL B 69 -7.508 4.562 -1.625 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -6.019 4.658 -1.889 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -8.290 5.356 -2.650 1.00 0.00 C ATOM 0 H VAL B 69 -9.749 3.919 -0.881 1.00 0.00 H new ATOM 0 HA VAL B 69 -7.835 2.669 -2.615 1.00 0.00 H new ATOM 0 HB VAL B 69 -7.686 4.982 -0.635 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -5.715 5.705 -1.880 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -5.476 4.116 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -5.793 4.223 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.948 6.391 -2.647 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -8.135 4.926 -3.639 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -9.351 5.324 -2.403 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.345 2.652 0.641 1.00 0.00 N ATOM 1110 CA LYS B 70 -6.616 2.006 1.721 1.00 0.00 C ATOM 1111 C LYS B 70 -7.025 0.539 1.873 1.00 0.00 C ATOM 1112 O LYS B 70 -6.264 -0.271 2.400 1.00 0.00 O ATOM 1113 CB LYS B 70 -6.824 2.784 3.023 1.00 0.00 C ATOM 1114 CG LYS B 70 -8.255 2.797 3.526 1.00 0.00 C ATOM 1115 CD LYS B 70 -8.471 3.919 4.533 1.00 0.00 C ATOM 1116 CE LYS B 70 -7.440 3.879 5.652 1.00 0.00 C ATOM 1117 NZ LYS B 70 -7.592 5.020 6.589 1.00 0.00 N1+ ATOM 0 H LYS B 70 -7.975 3.394 0.946 1.00 0.00 H new ATOM 0 HA LYS B 70 -5.554 2.013 1.478 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -6.185 2.354 3.794 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -6.495 3.812 2.873 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -8.938 2.922 2.686 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -8.490 1.838 3.989 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -8.417 4.881 4.023 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -9.472 3.839 4.957 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -7.538 2.943 6.202 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -6.438 3.893 5.223 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -6.916 4.918 7.372 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -7.407 5.910 6.085 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -8.561 5.032 6.967 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.218 0.198 1.389 1.00 0.00 N ATOM 1132 CA PHE B 71 -8.679 -1.187 1.383 1.00 0.00 C ATOM 1133 C PHE B 71 -7.733 -2.064 0.574 1.00 0.00 C ATOM 1134 O PHE B 71 -7.265 -3.099 1.047 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.095 -1.275 0.803 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.518 -2.663 0.407 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -10.838 -3.609 1.365 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -10.599 -3.015 -0.931 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.230 -4.881 0.996 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -10.990 -4.285 -1.306 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.305 -5.220 -0.341 1.00 0.00 C ATOM 0 H PHE B 71 -8.883 0.864 0.996 1.00 0.00 H new ATOM 0 HA PHE B 71 -8.694 -1.546 2.412 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -10.801 -0.889 1.539 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.158 -0.626 -0.070 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -10.781 -3.350 2.412 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.353 -2.287 -1.690 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -11.478 -5.611 1.753 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -11.049 -4.546 -2.352 1.00 0.00 H new ATOM 0 HZ PHE B 71 -11.610 -6.215 -0.631 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.443 -1.628 -0.645 1.00 0.00 N ATOM 1152 CA HIS B 72 -6.627 -2.410 -1.564 1.00 0.00 C ATOM 1153 C HIS B 72 -5.170 -2.436 -1.119 1.00 0.00 C ATOM 1154 O HIS B 72 -4.450 -3.397 -1.384 1.00 0.00 O ATOM 1155 CB HIS B 72 -6.746 -1.856 -2.988 1.00 0.00 C ATOM 1156 CG HIS B 72 -8.079 -2.122 -3.622 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -9.087 -1.185 -3.690 1.00 0.00 N ATOM 1158 CD2 HIS B 72 -8.567 -3.236 -4.221 1.00 0.00 C ATOM 1159 CE1 HIS B 72 -10.135 -1.711 -4.292 1.00 0.00 C ATOM 1160 NE2 HIS B 72 -9.847 -2.953 -4.626 1.00 0.00 N ATOM 0 H HIS B 72 -7.762 -0.735 -1.021 1.00 0.00 H new ATOM 0 HA HIS B 72 -6.997 -3.435 -1.557 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -6.570 -0.780 -2.967 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -5.964 -2.295 -3.607 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -9.031 -0.232 -3.330 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -8.045 -4.172 -4.355 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -11.072 -1.209 -4.480 1.00 0.00 H new ATOM 1169 N LEU B 73 -4.749 -1.390 -0.424 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.389 -1.318 0.084 1.00 0.00 C ATOM 1171 C LEU B 73 -3.207 -2.239 1.285 1.00 0.00 C ATOM 1172 O LEU B 73 -2.237 -2.985 1.363 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.037 0.120 0.462 1.00 0.00 C ATOM 1174 CG LEU B 73 -2.965 1.100 -0.708 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -2.713 2.511 -0.206 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -1.876 0.681 -1.687 1.00 0.00 C ATOM 0 H LEU B 73 -5.329 -0.581 -0.200 1.00 0.00 H new ATOM 0 HA LEU B 73 -2.714 -1.649 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -3.777 0.483 1.175 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.075 0.119 0.974 1.00 0.00 H new ATOM 0 HG LEU B 73 -3.922 1.086 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -2.665 3.195 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.524 2.811 0.457 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -1.769 2.540 0.338 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -1.838 1.390 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -0.913 0.668 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.096 -0.315 -2.072 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.146 -2.198 2.217 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.083 -3.058 3.390 1.00 0.00 C ATOM 1190 C ALA B 74 -4.182 -4.534 3.009 1.00 0.00 C ATOM 1191 O ALA B 74 -3.727 -5.404 3.755 1.00 0.00 O ATOM 1192 CB ALA B 74 -5.156 -2.669 4.387 1.00 0.00 C ATOM 0 H ALA B 74 -4.958 -1.581 2.185 1.00 0.00 H new ATOM 0 HA ALA B 74 -3.111 -2.917 3.863 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -5.096 -3.321 5.259 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -5.007 -1.635 4.697 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.137 -2.771 3.924 1.00 0.00 H new ATOM 1198 N LYS B 75 -4.766 -4.817 1.847 1.00 0.00 N ATOM 1199 CA LYS B 75 -4.758 -6.164 1.303 1.00 0.00 C ATOM 1200 C LYS B 75 -3.328 -6.674 1.139 1.00 0.00 C ATOM 1201 O LYS B 75 -3.015 -7.797 1.534 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.473 -6.202 -0.052 1.00 0.00 C ATOM 1203 CG LYS B 75 -6.975 -5.963 0.021 1.00 0.00 C ATOM 1204 CD LYS B 75 -7.757 -7.265 0.121 1.00 0.00 C ATOM 1205 CE LYS B 75 -7.604 -7.939 1.476 1.00 0.00 C ATOM 1206 NZ LYS B 75 -8.272 -7.172 2.562 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.249 -4.130 1.268 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.286 -6.810 2.004 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.029 -5.450 -0.704 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.294 -7.172 -0.516 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.201 -5.338 0.885 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.298 -5.414 -0.863 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -8.812 -7.065 -0.064 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -7.420 -7.947 -0.660 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -8.025 -8.943 1.430 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -6.545 -8.048 1.709 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -8.321 -7.757 3.421 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -7.728 -6.308 2.762 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -9.234 -6.914 2.264 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.458 -5.838 0.581 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.082 -6.247 0.336 1.00 0.00 C ATOM 1222 C VAL B 76 -0.291 -6.267 1.641 1.00 0.00 C ATOM 1223 O VAL B 76 0.650 -7.039 1.789 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.368 -5.356 -0.713 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.269 -5.118 -1.913 1.00 0.00 C ATOM 1226 CG2 VAL B 76 0.097 -4.034 -0.121 1.00 0.00 C ATOM 0 H VAL B 76 -2.679 -4.885 0.293 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.123 -7.254 -0.079 1.00 0.00 H new ATOM 0 HB VAL B 76 0.522 -5.893 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -0.751 -4.491 -2.638 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.521 -6.073 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.182 -4.619 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.591 -3.444 -0.893 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -0.763 -3.484 0.262 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.796 -4.226 0.693 1.00 0.00 H new ATOM 1236 N TYR B 77 -0.700 -5.434 2.597 1.00 0.00 N ATOM 1237 CA TYR B 77 -0.080 -5.418 3.919 1.00 0.00 C ATOM 1238 C TYR B 77 -0.186 -6.791 4.575 1.00 0.00 C ATOM 1239 O TYR B 77 0.759 -7.268 5.211 1.00 0.00 O ATOM 1240 CB TYR B 77 -0.733 -4.353 4.807 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.333 -4.442 6.265 1.00 0.00 C ATOM 1242 CD1 TYR B 77 1.003 -4.517 6.638 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.294 -4.467 7.266 1.00 0.00 C ATOM 1244 CE1 TYR B 77 1.369 -4.611 7.966 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -0.936 -4.561 8.596 1.00 0.00 C ATOM 1246 CZ TYR B 77 0.397 -4.632 8.942 1.00 0.00 C ATOM 1247 OH TYR B 77 0.758 -4.728 10.266 1.00 0.00 O ATOM 0 H TYR B 77 -1.458 -4.762 2.480 1.00 0.00 H new ATOM 0 HA TYR B 77 0.975 -5.170 3.800 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.469 -3.366 4.427 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -1.816 -4.445 4.731 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.768 -4.502 5.876 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.339 -4.412 7.000 1.00 0.00 H new ATOM 0 HE1 TYR B 77 2.413 -4.668 8.238 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -1.697 -4.579 9.362 1.00 0.00 H new ATOM 0 HH TYR B 77 -0.047 -4.729 10.825 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.333 -7.433 4.403 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.529 -8.776 4.923 1.00 0.00 C ATOM 1259 C ARG B 78 -0.586 -9.748 4.228 1.00 0.00 C ATOM 1260 O ARG B 78 -0.100 -10.707 4.831 1.00 0.00 O ATOM 1261 CB ARG B 78 -2.972 -9.219 4.744 1.00 0.00 C ATOM 1262 CG ARG B 78 -3.951 -8.328 5.477 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.216 -9.076 5.817 1.00 0.00 C ATOM 1264 NE ARG B 78 -4.981 -10.130 6.805 1.00 0.00 N ATOM 1265 CZ ARG B 78 -5.777 -11.186 6.972 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -6.824 -11.361 6.176 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -5.516 -12.074 7.923 1.00 0.00 N ATOM 0 H ARG B 78 -2.138 -7.047 3.910 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.306 -8.769 5.990 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -3.217 -9.225 3.682 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -3.081 -10.243 5.102 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -3.491 -7.951 6.390 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -4.191 -7.462 4.860 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -5.958 -8.377 6.202 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -5.632 -9.515 4.910 1.00 0.00 H new ATOM 0 HE ARG B 78 -4.158 -10.052 7.402 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -7.020 -10.687 5.436 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -7.433 -12.169 6.304 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -4.705 -11.949 8.528 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -6.127 -12.881 8.049 1.00 0.00 H new ATOM 1281 N ILE B 79 -0.309 -9.469 2.961 1.00 0.00 N ATOM 1282 CA ILE B 79 0.602 -10.281 2.172 1.00 0.00 C ATOM 1283 C ILE B 79 2.032 -10.130 2.670 1.00 0.00 C ATOM 1284 O ILE B 79 2.750 -11.111 2.797 1.00 0.00 O ATOM 1285 CB ILE B 79 0.554 -9.910 0.681 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.870 -10.032 0.143 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.503 -10.798 -0.109 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.990 -9.647 -1.311 1.00 0.00 C ATOM 0 H ILE B 79 -0.708 -8.678 2.456 1.00 0.00 H new ATOM 0 HA ILE B 79 0.278 -11.315 2.287 1.00 0.00 H new ATOM 0 HB ILE B 79 0.872 -8.873 0.569 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -1.213 -11.059 0.270 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.531 -9.400 0.736 1.00 0.00 H new ATOM 0 HG21 ILE B 79 1.461 -10.527 -1.164 1.00 0.00 H new ATOM 0 HG22 ILE B 79 2.520 -10.663 0.260 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.209 -11.841 0.010 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -2.026 -9.756 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.677 -8.611 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -0.354 -10.296 -1.913 1.00 0.00 H new ATOM 1300 N LEU B 80 2.445 -8.902 2.967 1.00 0.00 N ATOM 1301 CA LEU B 80 3.792 -8.671 3.488 1.00 0.00 C ATOM 1302 C LEU B 80 3.963 -9.307 4.862 1.00 0.00 C ATOM 1303 O LEU B 80 5.074 -9.383 5.385 1.00 0.00 O ATOM 1304 CB LEU B 80 4.138 -7.177 3.569 1.00 0.00 C ATOM 1305 CG LEU B 80 4.573 -6.506 2.257 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.388 -7.460 1.398 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.377 -5.968 1.494 1.00 0.00 C ATOM 0 H LEU B 80 1.878 -8.061 2.859 1.00 0.00 H new ATOM 0 HA LEU B 80 4.479 -9.139 2.783 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.268 -6.645 3.953 1.00 0.00 H new ATOM 0 HB3 LEU B 80 4.937 -7.050 4.299 1.00 0.00 H new ATOM 0 HG LEU B 80 5.211 -5.660 2.512 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.682 -6.958 0.476 1.00 0.00 H new ATOM 0 HD12 LEU B 80 6.280 -7.769 1.943 1.00 0.00 H new ATOM 0 HD13 LEU B 80 4.787 -8.337 1.158 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.716 -5.499 0.570 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.698 -6.787 1.257 1.00 0.00 H new ATOM 0 HD23 LEU B 80 2.857 -5.231 2.106 1.00 0.00 H new ATOM 1319 N SER B 81 2.863 -9.759 5.444 1.00 0.00 N ATOM 1320 CA SER B 81 2.920 -10.453 6.712 1.00 0.00 C ATOM 1321 C SER B 81 3.019 -11.964 6.485 1.00 0.00 C ATOM 1322 O SER B 81 3.943 -12.607 6.984 1.00 0.00 O ATOM 1323 CB SER B 81 1.680 -10.110 7.538 1.00 0.00 C ATOM 1324 OG SER B 81 1.540 -8.703 7.682 1.00 0.00 O ATOM 0 H SER B 81 1.925 -9.656 5.057 1.00 0.00 H new ATOM 0 HA SER B 81 3.807 -10.134 7.259 1.00 0.00 H new ATOM 0 HB2 SER B 81 0.792 -10.520 7.057 1.00 0.00 H new ATOM 0 HB3 SER B 81 1.753 -10.575 8.521 1.00 0.00 H new ATOM 0 HG SER B 81 1.283 -8.310 6.822 1.00 0.00 H new ATOM 1509 N LEU B 96 9.261 -13.998 -0.758 1.00 0.00 N ATOM 1510 CA LEU B 96 8.193 -14.414 -1.647 1.00 0.00 C ATOM 1511 C LEU B 96 6.941 -13.582 -1.379 1.00 0.00 C ATOM 1512 O LEU B 96 6.153 -13.325 -2.288 1.00 0.00 O ATOM 1513 CB LEU B 96 7.934 -15.929 -1.513 1.00 0.00 C ATOM 1514 CG LEU B 96 6.984 -16.391 -0.402 1.00 0.00 C ATOM 1515 CD1 LEU B 96 5.530 -16.271 -0.838 1.00 0.00 C ATOM 1516 CD2 LEU B 96 7.301 -17.823 -0.018 1.00 0.00 C ATOM 0 HA LEU B 96 8.490 -14.237 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU B 96 7.539 -16.288 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU B 96 8.894 -16.422 -1.361 1.00 0.00 H new ATOM 0 HG LEU B 96 7.128 -15.746 0.464 1.00 0.00 H new ATOM 0 HD11 LEU B 96 4.879 -16.606 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU B 96 5.306 -15.231 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU B 96 5.362 -16.890 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU B 96 6.623 -18.146 0.772 1.00 0.00 H new ATOM 0 HD22 LEU B 96 7.179 -18.468 -0.888 1.00 0.00 H new ATOM 0 HD23 LEU B 96 8.329 -17.885 0.338 1.00 0.00 H new ATOM 1528 N GLN B 97 6.779 -13.138 -0.133 1.00 0.00 N ATOM 1529 CA GLN B 97 5.672 -12.257 0.222 1.00 0.00 C ATOM 1530 C GLN B 97 5.776 -10.951 -0.555 1.00 0.00 C ATOM 1531 O GLN B 97 4.767 -10.387 -0.976 1.00 0.00 O ATOM 1532 CB GLN B 97 5.648 -11.956 1.726 1.00 0.00 C ATOM 1533 CG GLN B 97 5.547 -13.189 2.616 1.00 0.00 C ATOM 1534 CD GLN B 97 4.349 -14.066 2.298 1.00 0.00 C ATOM 1535 OE1 GLN B 97 4.379 -15.279 2.495 1.00 0.00 O ATOM 1536 NE2 GLN B 97 3.277 -13.461 1.823 1.00 0.00 N ATOM 0 H GLN B 97 7.398 -13.374 0.643 1.00 0.00 H new ATOM 0 HA GLN B 97 4.746 -12.770 -0.037 1.00 0.00 H new ATOM 0 HB2 GLN B 97 6.553 -11.407 1.988 1.00 0.00 H new ATOM 0 HB3 GLN B 97 4.804 -11.300 1.939 1.00 0.00 H new ATOM 0 HG2 GLN B 97 6.458 -13.779 2.512 1.00 0.00 H new ATOM 0 HG3 GLN B 97 5.490 -12.872 3.657 1.00 0.00 H new ATOM 0 HE21 GLN B 97 3.286 -12.452 1.671 1.00 0.00 H new ATOM 0 HE22 GLN B 97 2.439 -14.002 1.608 1.00 0.00 H new ATOM 1545 N LYS B 98 7.009 -10.480 -0.741 1.00 0.00 N ATOM 1546 CA LYS B 98 7.272 -9.293 -1.551 1.00 0.00 C ATOM 1547 C LYS B 98 6.692 -9.464 -2.948 1.00 0.00 C ATOM 1548 O LYS B 98 6.043 -8.563 -3.473 1.00 0.00 O ATOM 1549 CB LYS B 98 8.782 -9.028 -1.651 1.00 0.00 C ATOM 1550 CG LYS B 98 9.337 -8.050 -0.619 1.00 0.00 C ATOM 1551 CD LYS B 98 8.983 -8.444 0.804 1.00 0.00 C ATOM 1552 CE LYS B 98 9.768 -7.632 1.826 1.00 0.00 C ATOM 1553 NZ LYS B 98 9.633 -6.164 1.615 1.00 0.00 N1+ ATOM 0 H LYS B 98 7.844 -10.906 -0.339 1.00 0.00 H new ATOM 0 HA LYS B 98 6.795 -8.441 -1.066 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.309 -9.977 -1.550 1.00 0.00 H new ATOM 0 HB3 LYS B 98 9.003 -8.645 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS B 98 10.421 -7.997 -0.719 1.00 0.00 H new ATOM 0 HG3 LYS B 98 8.949 -7.052 -0.823 1.00 0.00 H new ATOM 0 HD2 LYS B 98 7.915 -8.299 0.967 1.00 0.00 H new ATOM 0 HD3 LYS B 98 9.186 -9.505 0.949 1.00 0.00 H new ATOM 0 HE2 LYS B 98 9.423 -7.885 2.828 1.00 0.00 H new ATOM 0 HE3 LYS B 98 10.821 -7.908 1.773 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 10.056 -5.657 2.419 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 10.123 -5.893 0.738 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 8.626 -5.915 1.540 1.00 0.00 H new ATOM 1567 N GLU B 99 6.909 -10.638 -3.530 1.00 0.00 N ATOM 1568 CA GLU B 99 6.433 -10.928 -4.875 1.00 0.00 C ATOM 1569 C GLU B 99 4.913 -10.893 -4.922 1.00 0.00 C ATOM 1570 O GLU B 99 4.322 -10.218 -5.764 1.00 0.00 O ATOM 1571 CB GLU B 99 6.920 -12.303 -5.328 1.00 0.00 C ATOM 1572 CG GLU B 99 6.705 -12.566 -6.808 1.00 0.00 C ATOM 1573 CD GLU B 99 7.133 -13.956 -7.220 1.00 0.00 C ATOM 1574 OE1 GLU B 99 8.338 -14.165 -7.465 1.00 0.00 O1- ATOM 1575 OE2 GLU B 99 6.263 -14.846 -7.307 1.00 0.00 O ATOM 0 H GLU B 99 7.414 -11.406 -3.088 1.00 0.00 H new ATOM 0 HA GLU B 99 6.830 -10.166 -5.545 1.00 0.00 H new ATOM 0 HB2 GLU B 99 7.982 -12.396 -5.101 1.00 0.00 H new ATOM 0 HB3 GLU B 99 6.403 -13.070 -4.752 1.00 0.00 H new ATOM 0 HG2 GLU B 99 5.651 -12.428 -7.048 1.00 0.00 H new ATOM 0 HG3 GLU B 99 7.263 -11.831 -7.389 1.00 0.00 H new ATOM 1582 N LEU B 100 4.285 -11.623 -4.010 1.00 0.00 N ATOM 1583 CA LEU B 100 2.829 -11.700 -3.962 1.00 0.00 C ATOM 1584 C LEU B 100 2.220 -10.326 -3.702 1.00 0.00 C ATOM 1585 O LEU B 100 1.136 -10.014 -4.196 1.00 0.00 O ATOM 1586 CB LEU B 100 2.361 -12.692 -2.890 1.00 0.00 C ATOM 1587 CG LEU B 100 2.306 -14.169 -3.309 1.00 0.00 C ATOM 1588 CD1 LEU B 100 1.335 -14.366 -4.463 1.00 0.00 C ATOM 1589 CD2 LEU B 100 3.687 -14.684 -3.683 1.00 0.00 C ATOM 0 H LEU B 100 4.760 -12.171 -3.293 1.00 0.00 H new ATOM 0 HA LEU B 100 2.488 -12.056 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU B 100 3.025 -12.605 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.367 -12.393 -2.558 1.00 0.00 H new ATOM 0 HG LEU B 100 1.949 -14.745 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU B 100 1.312 -15.419 -4.743 1.00 0.00 H new ATOM 0 HD12 LEU B 100 0.338 -14.050 -4.157 1.00 0.00 H new ATOM 0 HD13 LEU B 100 1.659 -13.770 -5.317 1.00 0.00 H new ATOM 0 HD21 LEU B 100 3.618 -15.732 -3.975 1.00 0.00 H new ATOM 0 HD22 LEU B 100 4.080 -14.100 -4.515 1.00 0.00 H new ATOM 0 HD23 LEU B 100 4.355 -14.590 -2.827 1.00 0.00 H new ATOM 1601 N ALA B 101 2.925 -9.508 -2.930 1.00 0.00 N ATOM 1602 CA ALA B 101 2.485 -8.149 -2.662 1.00 0.00 C ATOM 1603 C ALA B 101 2.457 -7.339 -3.955 1.00 0.00 C ATOM 1604 O ALA B 101 1.441 -6.732 -4.293 1.00 0.00 O ATOM 1605 CB ALA B 101 3.382 -7.492 -1.619 1.00 0.00 C ATOM 0 H ALA B 101 3.804 -9.764 -2.480 1.00 0.00 H new ATOM 0 HA ALA B 101 1.473 -8.180 -2.259 1.00 0.00 H new ATOM 0 HB1 ALA B 101 3.037 -6.475 -1.431 1.00 0.00 H new ATOM 0 HB2 ALA B 101 3.343 -8.065 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA B 101 4.408 -7.465 -1.986 1.00 0.00 H new ATOM 1611 N VAL B 102 3.565 -7.367 -4.698 1.00 0.00 N ATOM 1612 CA VAL B 102 3.655 -6.654 -5.975 1.00 0.00 C ATOM 1613 C VAL B 102 2.618 -7.182 -6.966 1.00 0.00 C ATOM 1614 O VAL B 102 2.067 -6.425 -7.770 1.00 0.00 O ATOM 1615 CB VAL B 102 5.061 -6.774 -6.606 1.00 0.00 C ATOM 1616 CG1 VAL B 102 5.161 -5.932 -7.871 1.00 0.00 C ATOM 1617 CG2 VAL B 102 6.135 -6.367 -5.614 1.00 0.00 C ATOM 0 H VAL B 102 4.411 -7.874 -4.439 1.00 0.00 H new ATOM 0 HA VAL B 102 3.459 -5.603 -5.761 1.00 0.00 H new ATOM 0 HB VAL B 102 5.219 -7.818 -6.875 1.00 0.00 H new ATOM 0 HG11 VAL B 102 6.159 -6.033 -8.297 1.00 0.00 H new ATOM 0 HG12 VAL B 102 4.421 -6.274 -8.595 1.00 0.00 H new ATOM 0 HG13 VAL B 102 4.974 -4.886 -7.628 1.00 0.00 H new ATOM 0 HG21 VAL B 102 7.116 -6.460 -6.081 1.00 0.00 H new ATOM 0 HG22 VAL B 102 5.975 -5.333 -5.308 1.00 0.00 H new ATOM 0 HG23 VAL B 102 6.087 -7.015 -4.739 1.00 0.00 H new ATOM 1627 N ASN B 103 2.351 -8.484 -6.893 1.00 0.00 N ATOM 1628 CA ASN B 103 1.341 -9.123 -7.739 1.00 0.00 C ATOM 1629 C ASN B 103 0.000 -8.405 -7.634 1.00 0.00 C ATOM 1630 O ASN B 103 -0.722 -8.272 -8.620 1.00 0.00 O ATOM 1631 CB ASN B 103 1.169 -10.596 -7.353 1.00 0.00 C ATOM 1632 CG ASN B 103 2.024 -11.537 -8.178 1.00 0.00 C ATOM 1633 OD1 ASN B 103 1.575 -12.077 -9.190 1.00 0.00 O ATOM 1634 ND2 ASN B 103 3.259 -11.747 -7.761 1.00 0.00 N ATOM 0 H ASN B 103 2.823 -9.122 -6.253 1.00 0.00 H new ATOM 0 HA ASN B 103 1.688 -9.061 -8.771 1.00 0.00 H new ATOM 0 HB2 ASN B 103 1.419 -10.720 -6.299 1.00 0.00 H new ATOM 0 HB3 ASN B 103 0.121 -10.874 -7.467 1.00 0.00 H new ATOM 0 HD21 ASN B 103 3.874 -12.373 -8.281 1.00 0.00 H new ATOM 0 HD22 ASN B 103 3.599 -11.283 -6.918 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.318 -7.923 -6.439 1.00 0.00 N ATOM 1642 CA TYR B 104 -1.573 -7.225 -6.213 1.00 0.00 C ATOM 1643 C TYR B 104 -1.541 -5.822 -6.800 1.00 0.00 C ATOM 1644 O TYR B 104 -2.504 -5.392 -7.426 1.00 0.00 O ATOM 1645 CB TYR B 104 -1.904 -7.174 -4.724 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.760 -8.331 -4.264 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -2.363 -9.645 -4.477 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -3.970 -8.106 -3.621 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -3.149 -10.703 -4.061 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.761 -9.157 -3.202 1.00 0.00 C ATOM 1651 CZ TYR B 104 -4.346 -10.454 -3.424 1.00 0.00 C ATOM 1652 OH TYR B 104 -5.133 -11.504 -3.011 1.00 0.00 O ATOM 0 H TYR B 104 0.276 -8.003 -5.614 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.357 -7.784 -6.723 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -0.976 -7.167 -4.152 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.420 -6.239 -4.505 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.426 -9.843 -4.975 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -4.298 -7.092 -3.446 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.827 -11.719 -4.234 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -5.699 -8.965 -2.703 1.00 0.00 H new ATOM 0 HH TYR B 104 -5.941 -11.157 -2.579 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.430 -5.116 -6.628 1.00 0.00 N ATOM 1663 CA LEU B 105 -0.302 -3.766 -7.182 1.00 0.00 C ATOM 1664 C LEU B 105 -0.425 -3.792 -8.704 1.00 0.00 C ATOM 1665 O LEU B 105 -0.809 -2.801 -9.323 1.00 0.00 O ATOM 1666 CB LEU B 105 1.021 -3.099 -6.776 1.00 0.00 C ATOM 1667 CG LEU B 105 1.097 -2.562 -5.338 1.00 0.00 C ATOM 1668 CD1 LEU B 105 -0.124 -1.718 -5.008 1.00 0.00 C ATOM 1669 CD2 LEU B 105 1.253 -3.691 -4.336 1.00 0.00 C ATOM 0 H LEU B 105 0.388 -5.447 -6.117 1.00 0.00 H new ATOM 0 HA LEU B 105 -1.117 -3.173 -6.766 1.00 0.00 H new ATOM 0 HB2 LEU B 105 1.826 -3.821 -6.915 1.00 0.00 H new ATOM 0 HB3 LEU B 105 1.212 -2.273 -7.461 1.00 0.00 H new ATOM 0 HG LEU B 105 1.981 -1.927 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU B 105 -0.046 -1.350 -3.985 1.00 0.00 H new ATOM 0 HD12 LEU B 105 -0.179 -0.873 -5.695 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -1.024 -2.325 -5.108 1.00 0.00 H new ATOM 0 HD21 LEU B 105 1.304 -3.279 -3.328 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.399 -4.364 -4.410 1.00 0.00 H new ATOM 0 HD23 LEU B 105 2.169 -4.243 -4.549 1.00 0.00 H new ATOM 1681 N ASN B 106 -0.114 -4.939 -9.297 1.00 0.00 N ATOM 1682 CA ASN B 106 -0.247 -5.127 -10.741 1.00 0.00 C ATOM 1683 C ASN B 106 -1.710 -5.065 -11.179 1.00 0.00 C ATOM 1684 O ASN B 106 -2.005 -4.829 -12.349 1.00 0.00 O ATOM 1685 CB ASN B 106 0.371 -6.460 -11.166 1.00 0.00 C ATOM 1686 CG ASN B 106 1.849 -6.344 -11.490 1.00 0.00 C ATOM 1687 OD1 ASN B 106 2.225 -6.151 -12.645 1.00 0.00 O ATOM 1688 ND2 ASN B 106 2.698 -6.446 -10.480 1.00 0.00 N ATOM 0 H ASN B 106 0.234 -5.758 -8.799 1.00 0.00 H new ATOM 0 HA ASN B 106 0.288 -4.314 -11.231 1.00 0.00 H new ATOM 0 HB2 ASN B 106 0.234 -7.190 -10.368 1.00 0.00 H new ATOM 0 HB3 ASN B 106 -0.159 -6.840 -12.039 1.00 0.00 H new ATOM 0 HD21 ASN B 106 3.701 -6.364 -10.647 1.00 0.00 H new ATOM 0 HD22 ASN B 106 2.349 -6.606 -9.535 1.00 0.00 H new ATOM 1695 N THR B 107 -2.625 -5.258 -10.235 1.00 0.00 N ATOM 1696 CA THR B 107 -4.047 -5.200 -10.543 1.00 0.00 C ATOM 1697 C THR B 107 -4.621 -3.855 -10.103 1.00 0.00 C ATOM 1698 O THR B 107 -5.803 -3.571 -10.300 1.00 0.00 O ATOM 1699 CB THR B 107 -4.828 -6.350 -9.868 1.00 0.00 C ATOM 1700 OG1 THR B 107 -4.745 -6.252 -8.439 1.00 0.00 O ATOM 1701 CG2 THR B 107 -4.288 -7.702 -10.310 1.00 0.00 C ATOM 0 H THR B 107 -2.409 -5.454 -9.258 1.00 0.00 H new ATOM 0 HA THR B 107 -4.157 -5.311 -11.622 1.00 0.00 H new ATOM 0 HB THR B 107 -5.871 -6.264 -10.173 1.00 0.00 H new ATOM 0 HG1 THR B 107 -4.061 -5.594 -8.195 1.00 0.00 H new ATOM 0 HG21 THR B 107 -4.853 -8.496 -9.822 1.00 0.00 H new ATOM 0 HG22 THR B 107 -4.387 -7.798 -11.391 1.00 0.00 H new ATOM 0 HG23 THR B 107 -3.237 -7.782 -10.034 1.00 0.00 H new ATOM 1709 N LEU B 108 -3.759 -3.039 -9.505 1.00 0.00 N ATOM 1710 CA LEU B 108 -4.134 -1.708 -9.041 1.00 0.00 C ATOM 1711 C LEU B 108 -3.612 -0.644 -9.995 1.00 0.00 C ATOM 1712 O LEU B 108 -4.009 0.521 -9.930 1.00 0.00 O ATOM 1713 CB LEU B 108 -3.578 -1.449 -7.639 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.452 -1.903 -6.465 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -5.798 -1.198 -6.497 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -4.644 -3.408 -6.468 1.00 0.00 C ATOM 0 H LEU B 108 -2.784 -3.281 -9.329 1.00 0.00 H new ATOM 0 HA LEU B 108 -5.222 -1.658 -9.008 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -2.611 -1.946 -7.558 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -3.396 -0.379 -7.536 1.00 0.00 H new ATOM 0 HG LEU B 108 -3.936 -1.632 -5.544 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -6.404 -1.533 -5.656 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -5.646 -0.121 -6.428 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -6.310 -1.433 -7.430 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -5.268 -3.697 -5.623 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -5.128 -3.711 -7.397 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -3.674 -3.899 -6.387 1.00 0.00 H new ATOM 1728 N ARG B 109 -2.712 -1.060 -10.866 1.00 0.00 N ATOM 1729 CA ARG B 109 -2.139 -0.189 -11.874 1.00 0.00 C ATOM 1730 C ARG B 109 -3.157 0.073 -12.980 1.00 0.00 C ATOM 1731 O ARG B 109 -4.049 -0.747 -13.213 1.00 0.00 O ATOM 1732 CB ARG B 109 -0.877 -0.850 -12.439 1.00 0.00 C ATOM 1733 CG ARG B 109 -0.242 -0.116 -13.610 1.00 0.00 C ATOM 1734 CD ARG B 109 0.936 -0.896 -14.160 1.00 0.00 C ATOM 1735 NE ARG B 109 0.561 -2.273 -14.471 1.00 0.00 N ATOM 1736 CZ ARG B 109 1.327 -3.331 -14.226 1.00 0.00 C ATOM 1737 NH1 ARG B 109 2.554 -3.179 -13.743 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 0.865 -4.547 -14.469 1.00 0.00 N ATOM 0 H ARG B 109 -2.357 -2.016 -10.894 1.00 0.00 H new ATOM 0 HA ARG B 109 -1.873 0.770 -11.430 1.00 0.00 H new ATOM 0 HB2 ARG B 109 -0.140 -0.936 -11.640 1.00 0.00 H new ATOM 0 HB3 ARG B 109 -1.125 -1.863 -12.755 1.00 0.00 H new ATOM 0 HG2 ARG B 109 -0.983 0.034 -14.395 1.00 0.00 H new ATOM 0 HG3 ARG B 109 0.088 0.872 -13.290 1.00 0.00 H new ATOM 0 HD2 ARG B 109 1.311 -0.407 -15.059 1.00 0.00 H new ATOM 0 HD3 ARG B 109 1.748 -0.893 -13.433 1.00 0.00 H new ATOM 0 HE ARG B 109 -0.348 -2.433 -14.905 1.00 0.00 H new ATOM 0 HH11 ARG B 109 2.917 -2.244 -13.557 1.00 0.00 H new ATOM 0 HH12 ARG B 109 3.134 -3.997 -13.558 1.00 0.00 H new ATOM 0 HH21 ARG B 109 -0.076 -4.670 -14.843 1.00 0.00 H new ATOM 0 HH22 ARG B 109 1.450 -5.362 -14.282 1.00 0.00 H new ATOM 1752 N TYR B 110 -3.024 1.227 -13.633 1.00 0.00 N ATOM 1753 CA TYR B 110 -3.891 1.613 -14.744 1.00 0.00 C ATOM 1754 C TYR B 110 -4.057 0.460 -15.731 1.00 0.00 C ATOM 1755 O TYR B 110 -3.079 -0.052 -16.280 1.00 0.00 O ATOM 1756 CB TYR B 110 -3.302 2.840 -15.448 1.00 0.00 C ATOM 1757 CG TYR B 110 -4.084 3.307 -16.655 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -5.332 3.902 -16.517 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -3.566 3.161 -17.935 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -6.040 4.337 -17.621 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -4.268 3.592 -19.042 1.00 0.00 C ATOM 1762 CZ TYR B 110 -5.504 4.178 -18.881 1.00 0.00 C ATOM 1763 OH TYR B 110 -6.204 4.610 -19.985 1.00 0.00 O ATOM 0 H TYR B 110 -2.311 1.921 -13.406 1.00 0.00 H new ATOM 0 HA TYR B 110 -4.877 1.861 -14.352 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -3.241 3.659 -14.732 1.00 0.00 H new ATOM 0 HB3 TYR B 110 -2.283 2.611 -15.758 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -5.755 4.026 -15.531 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -2.597 2.702 -18.066 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -7.008 4.799 -17.497 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -3.850 3.470 -20.030 1.00 0.00 H new ATOM 0 HH TYR B 110 -5.685 4.424 -20.795 1.00 0.00 H new ATOM 1773 N GLY B 111 -5.301 0.054 -15.938 1.00 0.00 N ATOM 1774 CA GLY B 111 -5.577 -1.085 -16.785 1.00 0.00 C ATOM 1775 C GLY B 111 -5.639 -2.372 -15.990 1.00 0.00 C ATOM 1776 O GLY B 111 -4.901 -3.321 -16.264 1.00 0.00 O ATOM 0 H GLY B 111 -6.126 0.496 -15.532 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -6.523 -0.932 -17.304 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -4.804 -1.166 -17.549 1.00 0.00 H new ATOM 1780 N GLY B 112 -6.517 -2.407 -14.997 1.00 0.00 N ATOM 1781 CA GLY B 112 -6.628 -3.567 -14.152 1.00 0.00 C ATOM 1782 C GLY B 112 -8.063 -3.890 -13.809 1.00 0.00 C ATOM 1783 O GLY B 112 -8.994 -3.304 -14.366 1.00 0.00 O ATOM 0 H GLY B 112 -7.155 -1.646 -14.765 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -6.175 -4.423 -14.652 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -6.066 -3.400 -13.233 1.00 0.00 H new ATOM 1787 N ILE B 113 -8.235 -4.809 -12.880 1.00 0.00 N ATOM 1788 CA ILE B 113 -9.557 -5.293 -12.507 1.00 0.00 C ATOM 1789 C ILE B 113 -10.227 -4.387 -11.478 1.00 0.00 C ATOM 1790 O ILE B 113 -11.374 -3.980 -11.654 1.00 0.00 O ATOM 1791 CB ILE B 113 -9.501 -6.741 -11.970 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -8.464 -6.877 -10.849 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -9.180 -7.698 -13.104 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -8.391 -8.264 -10.248 1.00 0.00 C ATOM 0 H ILE B 113 -7.470 -5.242 -12.363 1.00 0.00 H new ATOM 0 HA ILE B 113 -10.157 -5.280 -13.417 1.00 0.00 H new ATOM 0 HB ILE B 113 -10.477 -6.991 -11.554 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -7.483 -6.609 -11.240 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -8.699 -6.162 -10.061 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -9.142 -8.717 -12.720 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -9.953 -7.627 -13.869 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -8.215 -7.437 -13.538 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -7.635 -8.281 -9.462 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -9.360 -8.529 -9.825 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -8.125 -8.983 -11.023 1.00 0.00 H new ATOM 1806 N HIS B 114 -9.511 -4.066 -10.409 1.00 0.00 N ATOM 1807 CA HIS B 114 -10.058 -3.234 -9.343 1.00 0.00 C ATOM 1808 C HIS B 114 -9.122 -2.071 -9.075 1.00 0.00 C ATOM 1809 O HIS B 114 -8.900 -1.689 -7.926 1.00 0.00 O ATOM 1810 CB HIS B 114 -10.242 -4.037 -8.048 1.00 0.00 C ATOM 1811 CG HIS B 114 -11.022 -5.301 -8.211 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -10.556 -6.526 -7.791 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -12.248 -5.525 -8.734 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -11.462 -7.449 -8.051 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -12.503 -6.868 -8.620 1.00 0.00 N ATOM 0 H HIS B 114 -8.549 -4.369 -10.256 1.00 0.00 H new ATOM 0 HA HIS B 114 -11.033 -2.869 -9.667 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -9.260 -4.280 -7.643 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -10.743 -3.407 -7.313 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -12.906 -4.783 -9.163 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -11.368 -8.503 -7.835 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -13.355 -7.340 -8.924 1.00 0.00 H new ATOM 1824 N TYR B 115 -8.571 -1.513 -10.140 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.569 -0.478 -10.006 1.00 0.00 C ATOM 1826 C TYR B 115 -8.214 0.840 -9.595 1.00 0.00 C ATOM 1827 O TYR B 115 -9.272 1.224 -10.101 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.755 -0.344 -11.304 1.00 0.00 C ATOM 1829 CG TYR B 115 -7.076 0.869 -12.150 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -8.055 0.815 -13.132 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -6.387 2.064 -11.971 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -8.341 1.919 -13.911 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -6.670 3.171 -12.744 1.00 0.00 C ATOM 1834 CZ TYR B 115 -7.646 3.094 -13.713 1.00 0.00 C ATOM 1835 OH TYR B 115 -7.927 4.197 -14.487 1.00 0.00 O ATOM 0 H TYR B 115 -8.802 -1.761 -11.102 1.00 0.00 H new ATOM 0 HA TYR B 115 -6.873 -0.759 -9.215 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.696 -0.317 -11.047 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -6.914 -1.238 -11.906 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -8.601 -0.103 -13.289 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -5.618 2.126 -11.215 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -9.105 1.863 -14.672 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -6.129 4.093 -12.590 1.00 0.00 H new ATOM 0 HH TYR B 115 -7.349 4.941 -14.218 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.578 1.508 -8.652 1.00 0.00 N ATOM 1846 CA ASN B 116 -8.057 2.782 -8.150 1.00 0.00 C ATOM 1847 C ASN B 116 -7.153 3.896 -8.642 1.00 0.00 C ATOM 1848 O ASN B 116 -5.928 3.777 -8.601 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.074 2.779 -6.620 1.00 0.00 C ATOM 1850 CG ASN B 116 -9.087 1.823 -6.022 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -8.856 1.258 -4.954 1.00 0.00 O ATOM 1852 ND2 ASN B 116 -10.220 1.653 -6.682 1.00 0.00 N ATOM 0 H ASN B 116 -6.716 1.184 -8.213 1.00 0.00 H new ATOM 0 HA ASN B 116 -9.071 2.943 -8.515 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -7.081 2.516 -6.255 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -8.287 3.788 -6.266 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -10.940 1.035 -6.308 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -10.374 2.140 -7.565 1.00 0.00 H new ATOM 1859 N GLU B 117 -7.764 4.975 -9.107 1.00 0.00 N ATOM 1860 CA GLU B 117 -7.021 6.119 -9.610 1.00 0.00 C ATOM 1861 C GLU B 117 -6.200 6.757 -8.495 1.00 0.00 C ATOM 1862 O GLU B 117 -5.147 7.340 -8.745 1.00 0.00 O ATOM 1863 CB GLU B 117 -7.972 7.148 -10.223 1.00 0.00 C ATOM 1864 CG GLU B 117 -9.001 7.690 -9.246 1.00 0.00 C ATOM 1865 CD GLU B 117 -9.896 8.737 -9.866 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -9.423 9.868 -10.095 1.00 0.00 O1- ATOM 1867 OE2 GLU B 117 -11.077 8.437 -10.127 1.00 0.00 O ATOM 0 H GLU B 117 -8.778 5.082 -9.146 1.00 0.00 H new ATOM 0 HA GLU B 117 -6.339 5.770 -10.386 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -7.388 7.979 -10.619 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -8.490 6.693 -11.067 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -9.613 6.868 -8.875 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -8.488 8.119 -8.385 1.00 0.00 H new ATOM 1874 N ALA B 118 -6.675 6.620 -7.261 1.00 0.00 N ATOM 1875 CA ALA B 118 -5.968 7.168 -6.118 1.00 0.00 C ATOM 1876 C ALA B 118 -4.755 6.313 -5.783 1.00 0.00 C ATOM 1877 O ALA B 118 -3.808 6.783 -5.166 1.00 0.00 O ATOM 1878 CB ALA B 118 -6.893 7.280 -4.921 1.00 0.00 C ATOM 0 H ALA B 118 -7.543 6.136 -7.032 1.00 0.00 H new ATOM 0 HA ALA B 118 -5.622 8.169 -6.374 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.344 7.693 -4.074 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -7.728 7.936 -5.167 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.272 6.292 -4.660 1.00 0.00 H new ATOM 1884 N ILE B 119 -4.787 5.055 -6.210 1.00 0.00 N ATOM 1885 CA ILE B 119 -3.657 4.156 -6.013 1.00 0.00 C ATOM 1886 C ILE B 119 -2.558 4.483 -7.015 1.00 0.00 C ATOM 1887 O ILE B 119 -1.369 4.432 -6.690 1.00 0.00 O ATOM 1888 CB ILE B 119 -4.072 2.672 -6.148 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.092 2.309 -5.065 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -2.855 1.757 -6.062 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -4.510 2.246 -3.675 1.00 0.00 C ATOM 0 H ILE B 119 -5.581 4.636 -6.694 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.286 4.303 -4.999 1.00 0.00 H new ATOM 0 HB ILE B 119 -4.532 2.531 -7.126 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -5.898 3.043 -5.078 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -5.536 1.343 -5.307 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.173 0.719 -6.160 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -2.159 2.001 -6.865 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -2.362 1.897 -5.100 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -5.293 1.983 -2.964 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -3.724 1.492 -3.644 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -4.092 3.217 -3.411 1.00 0.00 H new ATOM 1903 N GLU B 120 -2.962 4.840 -8.229 1.00 0.00 N ATOM 1904 CA GLU B 120 -2.014 5.299 -9.229 1.00 0.00 C ATOM 1905 C GLU B 120 -1.322 6.561 -8.731 1.00 0.00 C ATOM 1906 O GLU B 120 -0.094 6.652 -8.746 1.00 0.00 O ATOM 1907 CB GLU B 120 -2.706 5.558 -10.568 1.00 0.00 C ATOM 1908 CG GLU B 120 -1.765 6.092 -11.636 1.00 0.00 C ATOM 1909 CD GLU B 120 -2.404 6.153 -13.004 1.00 0.00 C ATOM 1910 OE1 GLU B 120 -3.233 7.057 -13.243 1.00 0.00 O ATOM 1911 OE2 GLU B 120 -2.069 5.304 -13.853 1.00 0.00 O1- ATOM 0 H GLU B 120 -3.933 4.820 -8.540 1.00 0.00 H new ATOM 0 HA GLU B 120 -1.270 4.519 -9.389 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -3.157 4.631 -10.921 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -3.517 6.271 -10.418 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -1.430 7.090 -11.352 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -0.879 5.459 -11.682 1.00 0.00 H new ATOM 1918 N GLU B 121 -2.114 7.519 -8.256 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.566 8.731 -7.666 1.00 0.00 C ATOM 1920 C GLU B 121 -0.691 8.379 -6.470 1.00 0.00 C ATOM 1921 O GLU B 121 0.401 8.921 -6.310 1.00 0.00 O ATOM 1922 CB GLU B 121 -2.683 9.676 -7.222 1.00 0.00 C ATOM 1923 CG GLU B 121 -3.562 10.170 -8.358 1.00 0.00 C ATOM 1924 CD GLU B 121 -4.540 11.231 -7.905 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -4.109 12.384 -7.690 1.00 0.00 O1- ATOM 1926 OE2 GLU B 121 -5.742 10.927 -7.752 1.00 0.00 O ATOM 0 H GLU B 121 -3.133 7.477 -8.269 1.00 0.00 H new ATOM 0 HA GLU B 121 -0.964 9.235 -8.423 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -3.307 9.165 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -2.239 10.535 -6.719 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -2.934 10.573 -9.152 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -4.111 9.329 -8.782 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.181 7.452 -5.649 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.469 6.995 -4.460 1.00 0.00 C ATOM 1935 C PHE B 122 0.951 6.572 -4.804 1.00 0.00 C ATOM 1936 O PHE B 122 1.911 7.155 -4.309 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.222 5.827 -3.808 1.00 0.00 C ATOM 1938 CG PHE B 122 -0.618 5.342 -2.519 1.00 0.00 C ATOM 1939 CD1 PHE B 122 -0.974 5.922 -1.312 1.00 0.00 C ATOM 1940 CD2 PHE B 122 0.300 4.302 -2.513 1.00 0.00 C ATOM 1941 CE1 PHE B 122 -0.425 5.476 -0.125 1.00 0.00 C ATOM 1942 CE2 PHE B 122 0.853 3.853 -1.330 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.490 4.441 -0.134 1.00 0.00 C ATOM 0 H PHE B 122 -2.083 6.997 -5.790 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.418 7.825 -3.755 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.251 6.133 -3.620 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.260 4.996 -4.513 1.00 0.00 H new ATOM 0 HD1 PHE B 122 -1.689 6.732 -1.299 1.00 0.00 H new ATOM 0 HD2 PHE B 122 0.586 3.838 -3.445 1.00 0.00 H new ATOM 0 HE1 PHE B 122 -0.711 5.936 0.809 1.00 0.00 H new ATOM 0 HE2 PHE B 122 1.568 3.044 -1.340 1.00 0.00 H new ATOM 0 HZ PHE B 122 0.921 4.092 0.793 1.00 0.00 H new ATOM 1953 N CYS B 123 1.081 5.573 -5.670 1.00 0.00 N ATOM 1954 CA CYS B 123 2.390 5.042 -6.009 1.00 0.00 C ATOM 1955 C CYS B 123 3.279 6.120 -6.623 1.00 0.00 C ATOM 1956 O CYS B 123 4.455 6.205 -6.292 1.00 0.00 O ATOM 1957 CB CYS B 123 2.272 3.836 -6.950 1.00 0.00 C ATOM 1958 SG CYS B 123 1.463 4.179 -8.531 1.00 0.00 S ATOM 0 H CYS B 123 0.301 5.119 -6.145 1.00 0.00 H new ATOM 0 HA CYS B 123 2.858 4.704 -5.084 1.00 0.00 H new ATOM 0 HB2 CYS B 123 3.271 3.448 -7.147 1.00 0.00 H new ATOM 0 HB3 CYS B 123 1.719 3.048 -6.439 1.00 0.00 H new ATOM 0 HG CYS B 123 0.872 5.335 -8.474 1.00 0.00 H new ATOM 1964 N GLN B 124 2.703 6.965 -7.473 1.00 0.00 N ATOM 1965 CA GLN B 124 3.466 8.001 -8.165 1.00 0.00 C ATOM 1966 C GLN B 124 4.078 8.999 -7.185 1.00 0.00 C ATOM 1967 O GLN B 124 5.296 9.169 -7.148 1.00 0.00 O ATOM 1968 CB GLN B 124 2.580 8.735 -9.170 1.00 0.00 C ATOM 1969 CG GLN B 124 2.206 7.903 -10.385 1.00 0.00 C ATOM 1970 CD GLN B 124 3.395 7.571 -11.255 1.00 0.00 C ATOM 1971 OE1 GLN B 124 3.770 8.347 -12.135 1.00 0.00 O ATOM 1972 NE2 GLN B 124 3.962 6.402 -11.047 1.00 0.00 N ATOM 0 H GLN B 124 1.709 6.953 -7.700 1.00 0.00 H new ATOM 0 HA GLN B 124 4.280 7.508 -8.696 1.00 0.00 H new ATOM 0 HB2 GLN B 124 1.668 9.057 -8.668 1.00 0.00 H new ATOM 0 HB3 GLN B 124 3.095 9.636 -9.504 1.00 0.00 H new ATOM 0 HG2 GLN B 124 1.734 6.978 -10.055 1.00 0.00 H new ATOM 0 HG3 GLN B 124 1.468 8.444 -10.977 1.00 0.00 H new ATOM 0 HE21 GLN B 124 3.617 5.792 -10.306 1.00 0.00 H new ATOM 0 HE22 GLN B 124 4.747 6.105 -11.627 1.00 0.00 H new ATOM 1981 N ILE B 125 3.232 9.644 -6.390 1.00 0.00 N ATOM 1982 CA ILE B 125 3.688 10.646 -5.425 1.00 0.00 C ATOM 1983 C ILE B 125 4.670 10.028 -4.434 1.00 0.00 C ATOM 1984 O ILE B 125 5.693 10.620 -4.086 1.00 0.00 O ATOM 1985 CB ILE B 125 2.494 11.240 -4.638 1.00 0.00 C ATOM 1986 CG1 ILE B 125 1.427 11.763 -5.601 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.962 12.355 -3.708 1.00 0.00 C ATOM 1988 CD1 ILE B 125 0.104 12.076 -4.930 1.00 0.00 C ATOM 0 H ILE B 125 2.223 9.493 -6.392 1.00 0.00 H new ATOM 0 HA ILE B 125 4.182 11.440 -5.986 1.00 0.00 H new ATOM 0 HB ILE B 125 2.057 10.447 -4.031 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.800 12.664 -6.088 1.00 0.00 H new ATOM 0 HG13 ILE B 125 1.262 11.023 -6.384 1.00 0.00 H new ATOM 0 HG21 ILE B 125 2.107 12.758 -3.165 1.00 0.00 H new ATOM 0 HG22 ILE B 125 3.688 11.957 -2.999 1.00 0.00 H new ATOM 0 HG23 ILE B 125 3.426 13.148 -4.295 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -0.604 12.442 -5.674 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -0.292 11.172 -4.466 1.00 0.00 H new ATOM 0 HD13 ILE B 125 0.255 12.839 -4.167 1.00 0.00 H new ATOM 2000 N LEU B 126 4.349 8.818 -4.008 1.00 0.00 N ATOM 2001 CA LEU B 126 5.098 8.123 -2.976 1.00 0.00 C ATOM 2002 C LEU B 126 6.464 7.653 -3.485 1.00 0.00 C ATOM 2003 O LEU B 126 7.504 8.061 -2.958 1.00 0.00 O ATOM 2004 CB LEU B 126 4.248 6.946 -2.485 1.00 0.00 C ATOM 2005 CG LEU B 126 4.788 6.120 -1.325 1.00 0.00 C ATOM 2006 CD1 LEU B 126 5.562 4.921 -1.830 1.00 0.00 C ATOM 2007 CD2 LEU B 126 5.640 6.975 -0.395 1.00 0.00 C ATOM 0 H LEU B 126 3.557 8.288 -4.371 1.00 0.00 H new ATOM 0 HA LEU B 126 5.302 8.804 -2.150 1.00 0.00 H new ATOM 0 HB2 LEU B 126 3.272 7.335 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU B 126 4.085 6.275 -3.328 1.00 0.00 H new ATOM 0 HG LEU B 126 3.939 5.751 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU B 126 5.937 4.347 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU B 126 4.906 4.292 -2.432 1.00 0.00 H new ATOM 0 HD13 LEU B 126 6.400 5.259 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU B 126 6.013 6.361 0.424 1.00 0.00 H new ATOM 0 HD22 LEU B 126 6.482 7.389 -0.950 1.00 0.00 H new ATOM 0 HD23 LEU B 126 5.036 7.788 0.007 1.00 0.00 H new ATOM 2019 N LEU B 127 6.455 6.807 -4.508 1.00 0.00 N ATOM 2020 CA LEU B 127 7.689 6.212 -5.032 1.00 0.00 C ATOM 2021 C LEU B 127 8.677 7.294 -5.448 1.00 0.00 C ATOM 2022 O LEU B 127 9.889 7.136 -5.296 1.00 0.00 O ATOM 2023 CB LEU B 127 7.391 5.277 -6.226 1.00 0.00 C ATOM 2024 CG LEU B 127 7.299 5.939 -7.615 1.00 0.00 C ATOM 2025 CD1 LEU B 127 8.674 6.027 -8.271 1.00 0.00 C ATOM 2026 CD2 LEU B 127 6.334 5.181 -8.515 1.00 0.00 C ATOM 0 H LEU B 127 5.608 6.514 -4.995 1.00 0.00 H new ATOM 0 HA LEU B 127 8.136 5.619 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU B 127 8.168 4.514 -6.263 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.449 4.764 -6.030 1.00 0.00 H new ATOM 0 HG LEU B 127 6.919 6.951 -7.475 1.00 0.00 H new ATOM 0 HD11 LEU B 127 8.581 6.498 -9.250 1.00 0.00 H new ATOM 0 HD12 LEU B 127 9.339 6.621 -7.644 1.00 0.00 H new ATOM 0 HD13 LEU B 127 9.086 5.025 -8.388 1.00 0.00 H new ATOM 0 HD21 LEU B 127 6.287 5.668 -9.489 1.00 0.00 H new ATOM 0 HD22 LEU B 127 6.681 4.155 -8.638 1.00 0.00 H new ATOM 0 HD23 LEU B 127 5.342 5.177 -8.063 1.00 0.00 H new ATOM 2038 N ASP B 128 8.146 8.394 -5.961 1.00 0.00 N ATOM 2039 CA ASP B 128 8.967 9.461 -6.512 1.00 0.00 C ATOM 2040 C ASP B 128 9.807 10.109 -5.423 1.00 0.00 C ATOM 2041 O ASP B 128 10.983 10.417 -5.623 1.00 0.00 O ATOM 2042 CB ASP B 128 8.076 10.503 -7.178 1.00 0.00 C ATOM 2043 CG ASP B 128 8.835 11.372 -8.158 1.00 0.00 C ATOM 2044 OD1 ASP B 128 9.139 10.896 -9.271 1.00 0.00 O ATOM 2045 OD2 ASP B 128 9.122 12.539 -7.828 1.00 0.00 O1- ATOM 0 H ASP B 128 7.143 8.571 -6.007 1.00 0.00 H new ATOM 0 HA ASP B 128 9.641 9.036 -7.256 1.00 0.00 H new ATOM 0 HB2 ASP B 128 7.261 10.000 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP B 128 7.624 11.133 -6.412 1.00 0.00 H new ATOM 2050 N LYS B 129 9.200 10.290 -4.261 1.00 0.00 N ATOM 2051 CA LYS B 129 9.892 10.876 -3.124 1.00 0.00 C ATOM 2052 C LYS B 129 10.817 9.850 -2.469 1.00 0.00 C ATOM 2053 O LYS B 129 11.859 10.205 -1.918 1.00 0.00 O ATOM 2054 CB LYS B 129 8.887 11.409 -2.105 1.00 0.00 C ATOM 2055 CG LYS B 129 7.978 12.507 -2.638 1.00 0.00 C ATOM 2056 CD LYS B 129 8.766 13.733 -3.074 1.00 0.00 C ATOM 2057 CE LYS B 129 7.843 14.860 -3.513 1.00 0.00 C ATOM 2058 NZ LYS B 129 7.072 15.431 -2.376 1.00 0.00 N1+ ATOM 0 H LYS B 129 8.228 10.039 -4.080 1.00 0.00 H new ATOM 0 HA LYS B 129 10.498 11.707 -3.484 1.00 0.00 H new ATOM 0 HB2 LYS B 129 8.270 10.582 -1.753 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.431 11.791 -1.241 1.00 0.00 H new ATOM 0 HG2 LYS B 129 7.404 12.125 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS B 129 7.261 12.791 -1.867 1.00 0.00 H new ATOM 0 HD2 LYS B 129 9.394 14.075 -2.251 1.00 0.00 H new ATOM 0 HD3 LYS B 129 9.432 13.466 -3.894 1.00 0.00 H new ATOM 0 HE2 LYS B 129 8.432 15.648 -3.982 1.00 0.00 H new ATOM 0 HE3 LYS B 129 7.151 14.487 -4.268 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 6.588 16.298 -2.685 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 6.367 14.738 -2.052 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 7.721 15.656 -1.595 1.00 0.00 H new ATOM 2072 N LEU B 130 10.437 8.576 -2.543 1.00 0.00 N ATOM 2073 CA LEU B 130 11.250 7.500 -1.982 1.00 0.00 C ATOM 2074 C LEU B 130 12.480 7.233 -2.841 1.00 0.00 C ATOM 2075 O LEU B 130 13.466 6.673 -2.371 1.00 0.00 O ATOM 2076 CB LEU B 130 10.435 6.215 -1.826 1.00 0.00 C ATOM 2077 CG LEU B 130 9.396 6.236 -0.705 1.00 0.00 C ATOM 2078 CD1 LEU B 130 8.631 4.929 -0.667 1.00 0.00 C ATOM 2079 CD2 LEU B 130 10.064 6.486 0.637 1.00 0.00 C ATOM 0 H LEU B 130 9.572 8.264 -2.985 1.00 0.00 H new ATOM 0 HA LEU B 130 11.579 7.825 -0.995 1.00 0.00 H new ATOM 0 HB2 LEU B 130 9.926 6.010 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU B 130 11.122 5.387 -1.648 1.00 0.00 H new ATOM 0 HG LEU B 130 8.696 7.047 -0.904 1.00 0.00 H new ATOM 0 HD11 LEU B 130 7.896 4.961 0.137 1.00 0.00 H new ATOM 0 HD12 LEU B 130 8.122 4.778 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU B 130 9.324 4.107 -0.492 1.00 0.00 H new ATOM 0 HD21 LEU B 130 9.309 6.498 1.423 1.00 0.00 H new ATOM 0 HD22 LEU B 130 10.785 5.693 0.838 1.00 0.00 H new ATOM 0 HD23 LEU B 130 10.578 7.447 0.614 1.00 0.00 H new ATOM 2091 N ASN B 131 12.419 7.620 -4.103 1.00 0.00 N ATOM 2092 CA ASN B 131 13.586 7.536 -4.966 1.00 0.00 C ATOM 2093 C ASN B 131 14.439 8.783 -4.815 1.00 0.00 C ATOM 2094 O ASN B 131 15.612 8.796 -5.175 1.00 0.00 O ATOM 2095 CB ASN B 131 13.181 7.345 -6.428 1.00 0.00 C ATOM 2096 CG ASN B 131 12.933 5.891 -6.771 1.00 0.00 C ATOM 2097 OD1 ASN B 131 13.846 5.177 -7.187 1.00 0.00 O ATOM 2098 ND2 ASN B 131 11.703 5.437 -6.591 1.00 0.00 N ATOM 0 H ASN B 131 11.582 7.993 -4.551 1.00 0.00 H new ATOM 0 HA ASN B 131 14.169 6.667 -4.663 1.00 0.00 H new ATOM 0 HB2 ASN B 131 12.279 7.923 -6.631 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.965 7.740 -7.074 1.00 0.00 H new ATOM 0 HD21 ASN B 131 11.483 4.463 -6.799 1.00 0.00 H new ATOM 0 HD22 ASN B 131 10.975 6.061 -6.244 1.00 0.00 H new ATOM 2105 N ALA B 132 13.843 9.822 -4.255 1.00 0.00 N ATOM 2106 CA ALA B 132 14.538 11.089 -4.066 1.00 0.00 C ATOM 2107 C ALA B 132 15.247 11.150 -2.720 1.00 0.00 C ATOM 2108 O ALA B 132 15.886 12.148 -2.389 1.00 0.00 O ATOM 2109 CB ALA B 132 13.569 12.253 -4.206 1.00 0.00 C ATOM 0 H ALA B 132 12.879 9.815 -3.922 1.00 0.00 H new ATOM 0 HA ALA B 132 15.299 11.164 -4.843 1.00 0.00 H new ATOM 0 HB1 ALA B 132 14.104 13.191 -4.062 1.00 0.00 H new ATOM 0 HB2 ALA B 132 13.124 12.238 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA B 132 12.783 12.165 -3.456 1.00 0.00 H new