USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 MET CE :methyl -156:sc= -3.08! (180deg=-4.7!) USER MOD Set 1.2: A 112 ASN : amide:sc= -1.13 K(o=-4.2,f=-3.2) USER MOD Set 2.1: A 14 SER OG : rot -26:sc= 0.635 USER MOD Set 2.2: A 90 THR OG1 : rot -102:sc= -0.534! USER MOD Set 2.3: A 110 ASN : amide:sc= 0.95 K(o=1.1,f=-2) USER MOD Set 3.1: A 80 SER OG : rot -69:sc= 0.983 USER MOD Set 3.2: A 82 ASN : amide:sc= 0 X(o=0.98,f=0.94) USER MOD Set 4.1: A 16 HIS : no HE2:sc= -4! K(o=-5.1!,f=-1.2) USER MOD Set 4.2: A 108 CYS SG : rot -160:sc= -1.14 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0119 USER MOD Single : A 17 ASN : amide:sc= -0.571 K(o=-0.57,f=-6.6!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 CYS SG : rot 79:sc= -0.0897 USER MOD Single : A 32 THR OG1 : rot 80:sc= 0.361 USER MOD Single : A 35 TYR OH : rot -105:sc= 1.86 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.0542 K(o=-0.054,f=-0.59) USER MOD Single : A 43 LYS NZ :NH3+ -104:sc= 1.26 (180deg=-0.932) USER MOD Single : A 44 ASN : amide:sc= 0.11 K(o=0.11,f=-13!) USER MOD Single : A 49 CYS SG : rot -51:sc= -4.02! USER MOD Single : A 50 HIS : no HE2:sc= 0.252 K(o=0.25,f=-6.3!) USER MOD Single : A 54 GLN : amide:sc= -2.36! C(o=-2.4!,f=-2.8!) USER MOD Single : A 55 GLN : amide:sc= -0.493 X(o=-0.49,f=0) USER MOD Single : A 60 SER OG : rot 79:sc= 0.34 USER MOD Single : A 62 GLN : amide:sc= -5.65! K(o=-5.7!,f=-1.1) USER MOD Single : A 63 GLN : amide:sc= 0.928 K(o=0.93,f=-0.81) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.0672 K(o=-0.067,f=-2.6!) USER MOD Single : A 73 SER OG : rot 110:sc= 0.622 USER MOD Single : A 75 MET CE :methyl -164:sc= 0 (180deg=-0.00304) USER MOD Single : A 81 LYS NZ :NH3+ -170:sc= 1.17 (180deg=1.05) USER MOD Single : A 83 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.2) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 75:sc= 0.00959 USER MOD Single : A 94 THR OG1 : rot 40:sc= -2.57! USER MOD Single : A 96 GLN : amide:sc= -1.57 K(o=-1.6,f=-2.3!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -87:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -2.495 10.998 -10.479 1.00 0.00 N ATOM 108 CA PRO A 9 -2.524 9.678 -11.112 1.00 0.00 C ATOM 109 C PRO A 9 -2.978 8.609 -10.121 1.00 0.00 C ATOM 110 O PRO A 9 -2.780 8.757 -8.915 1.00 0.00 O ATOM 111 CB PRO A 9 -1.065 9.437 -11.533 1.00 0.00 C ATOM 112 CG PRO A 9 -0.415 10.777 -11.489 1.00 0.00 C ATOM 113 CD PRO A 9 -1.131 11.545 -10.418 1.00 0.00 C ATOM 0 HA PRO A 9 -3.220 9.632 -11.949 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.571 8.738 -10.858 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.010 9.006 -12.533 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.648 10.689 -11.263 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.495 11.282 -12.452 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.677 11.392 -9.439 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.117 12.618 -10.611 1.00 0.00 H new ATOM 121 N THR A 10 -3.570 7.531 -10.621 1.00 0.00 N ATOM 122 CA THR A 10 -4.133 6.510 -9.751 1.00 0.00 C ATOM 123 C THR A 10 -3.096 5.464 -9.356 1.00 0.00 C ATOM 124 O THR A 10 -3.409 4.285 -9.170 1.00 0.00 O ATOM 125 CB THR A 10 -5.344 5.832 -10.404 1.00 0.00 C ATOM 126 OG1 THR A 10 -5.055 5.508 -11.771 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.564 6.733 -10.326 1.00 0.00 C ATOM 0 H THR A 10 -3.672 7.343 -11.618 1.00 0.00 H new ATOM 0 HA THR A 10 -4.462 7.016 -8.843 1.00 0.00 H new ATOM 0 HB THR A 10 -5.558 4.911 -9.862 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.835 5.074 -12.176 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.414 6.236 -10.794 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.796 6.942 -9.282 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.359 7.669 -10.846 1.00 0.00 H new ATOM 135 N GLU A 11 -1.856 5.902 -9.261 1.00 0.00 N ATOM 136 CA GLU A 11 -0.807 5.105 -8.671 1.00 0.00 C ATOM 137 C GLU A 11 -0.059 5.964 -7.666 1.00 0.00 C ATOM 138 O GLU A 11 0.298 7.102 -7.968 1.00 0.00 O ATOM 139 CB GLU A 11 0.153 4.600 -9.751 1.00 0.00 C ATOM 140 CG GLU A 11 1.315 3.787 -9.207 1.00 0.00 C ATOM 141 CD GLU A 11 2.301 3.396 -10.282 1.00 0.00 C ATOM 142 OE1 GLU A 11 3.163 4.229 -10.636 1.00 0.00 O ATOM 143 OE2 GLU A 11 2.223 2.256 -10.782 1.00 0.00 O ATOM 0 H GLU A 11 -1.551 6.818 -9.590 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.240 4.238 -8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.404 3.990 -10.462 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.546 5.454 -10.303 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.830 4.364 -8.439 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.931 2.887 -8.726 1.00 0.00 H new ATOM 150 N PHE A 12 0.177 5.430 -6.479 1.00 0.00 N ATOM 151 CA PHE A 12 0.903 6.171 -5.464 1.00 0.00 C ATOM 152 C PHE A 12 1.897 5.273 -4.761 1.00 0.00 C ATOM 153 O PHE A 12 1.630 4.094 -4.523 1.00 0.00 O ATOM 154 CB PHE A 12 -0.055 6.810 -4.444 1.00 0.00 C ATOM 155 CG PHE A 12 -0.648 5.868 -3.426 1.00 0.00 C ATOM 156 CD1 PHE A 12 -1.745 5.084 -3.739 1.00 0.00 C ATOM 157 CD2 PHE A 12 -0.123 5.793 -2.141 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.307 4.242 -2.795 1.00 0.00 C ATOM 159 CE2 PHE A 12 -0.680 4.948 -1.194 1.00 0.00 C ATOM 160 CZ PHE A 12 -1.775 4.174 -1.520 1.00 0.00 C ATOM 0 H PHE A 12 -0.120 4.496 -6.197 1.00 0.00 H new ATOM 0 HA PHE A 12 1.446 6.974 -5.963 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.480 7.598 -3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.870 7.288 -4.988 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.168 5.130 -4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.730 6.401 -1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.163 3.637 -3.055 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.257 4.895 -0.202 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.215 3.518 -0.783 1.00 0.00 H new ATOM 170 N ILE A 13 3.052 5.828 -4.452 1.00 0.00 N ATOM 171 CA ILE A 13 4.054 5.099 -3.714 1.00 0.00 C ATOM 172 C ILE A 13 3.918 5.414 -2.229 1.00 0.00 C ATOM 173 O ILE A 13 3.667 6.557 -1.838 1.00 0.00 O ATOM 174 CB ILE A 13 5.484 5.424 -4.205 1.00 0.00 C ATOM 175 CG1 ILE A 13 6.480 4.416 -3.634 1.00 0.00 C ATOM 176 CG2 ILE A 13 5.882 6.846 -3.830 1.00 0.00 C ATOM 177 CD1 ILE A 13 7.904 4.653 -4.086 1.00 0.00 C ATOM 0 H ILE A 13 3.316 6.781 -4.702 1.00 0.00 H new ATOM 0 HA ILE A 13 3.892 4.034 -3.882 1.00 0.00 H new ATOM 0 HB ILE A 13 5.497 5.350 -5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.441 4.456 -2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.176 3.411 -3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.892 7.047 -4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.188 7.551 -4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.852 6.959 -2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.556 3.901 -3.643 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.957 4.584 -5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.226 5.645 -3.769 1.00 0.00 H new ATOM 189 N SER A 14 4.039 4.393 -1.413 1.00 0.00 N ATOM 190 CA SER A 14 3.914 4.557 0.020 1.00 0.00 C ATOM 191 C SER A 14 4.992 3.766 0.746 1.00 0.00 C ATOM 192 O SER A 14 5.269 2.619 0.403 1.00 0.00 O ATOM 193 CB SER A 14 2.521 4.119 0.472 1.00 0.00 C ATOM 194 OG SER A 14 2.216 2.816 0.001 1.00 0.00 O ATOM 0 H SER A 14 4.224 3.437 -1.716 1.00 0.00 H new ATOM 0 HA SER A 14 4.047 5.610 0.268 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.466 4.137 1.560 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.777 4.825 0.103 1.00 0.00 H new ATOM 0 HG SER A 14 2.731 2.633 -0.812 1.00 0.00 H new ATOM 200 N ARG A 15 5.603 4.382 1.737 1.00 0.00 N ATOM 201 CA ARG A 15 6.643 3.734 2.507 1.00 0.00 C ATOM 202 C ARG A 15 6.124 3.508 3.916 1.00 0.00 C ATOM 203 O ARG A 15 5.515 4.403 4.505 1.00 0.00 O ATOM 204 CB ARG A 15 7.902 4.603 2.519 1.00 0.00 C ATOM 205 CG ARG A 15 8.350 5.027 1.128 1.00 0.00 C ATOM 206 CD ARG A 15 9.524 5.986 1.181 1.00 0.00 C ATOM 207 NE ARG A 15 9.837 6.537 -0.138 1.00 0.00 N ATOM 208 CZ ARG A 15 10.898 7.301 -0.394 1.00 0.00 C ATOM 209 NH1 ARG A 15 11.760 7.589 0.575 1.00 0.00 N ATOM 210 NH2 ARG A 15 11.093 7.784 -1.618 1.00 0.00 N ATOM 0 H ARG A 15 5.395 5.337 2.029 1.00 0.00 H new ATOM 0 HA ARG A 15 6.906 2.775 2.060 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.716 5.493 3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.710 4.054 3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.627 4.145 0.551 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.518 5.500 0.607 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.298 6.800 1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.398 5.468 1.575 1.00 0.00 H new ATOM 0 HE ARG A 15 9.204 6.323 -0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.610 7.225 1.516 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.572 8.174 0.378 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.430 7.570 -2.363 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.906 8.369 -1.812 1.00 0.00 H new ATOM 224 N HIS A 16 6.323 2.314 4.447 1.00 0.00 N ATOM 225 CA HIS A 16 5.742 1.980 5.734 1.00 0.00 C ATOM 226 C HIS A 16 6.602 1.011 6.527 1.00 0.00 C ATOM 227 O HIS A 16 7.504 0.365 5.992 1.00 0.00 O ATOM 228 CB HIS A 16 4.323 1.407 5.561 1.00 0.00 C ATOM 229 CG HIS A 16 4.205 0.145 4.755 1.00 0.00 C ATOM 230 ND1 HIS A 16 3.209 -0.041 3.821 1.00 0.00 N ATOM 231 CD2 HIS A 16 4.911 -1.012 4.781 1.00 0.00 C ATOM 232 CE1 HIS A 16 3.305 -1.253 3.313 1.00 0.00 C ATOM 233 NE2 HIS A 16 4.330 -1.865 3.873 1.00 0.00 N ATOM 0 H HIS A 16 6.873 1.571 4.015 1.00 0.00 H new ATOM 0 HA HIS A 16 5.688 2.909 6.302 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.907 1.220 6.551 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.701 2.170 5.093 1.00 0.00 H new ATOM 0 HD1 HIS A 16 2.506 0.652 3.563 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.770 -1.224 5.400 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.653 -1.675 2.563 1.00 0.00 H new ATOM 242 N ASN A 17 6.276 0.907 7.803 1.00 0.00 N ATOM 243 CA ASN A 17 6.898 -0.052 8.697 1.00 0.00 C ATOM 244 C ASN A 17 6.312 -1.430 8.417 1.00 0.00 C ATOM 245 O ASN A 17 5.168 -1.531 7.957 1.00 0.00 O ATOM 246 CB ASN A 17 6.658 0.371 10.156 1.00 0.00 C ATOM 247 CG ASN A 17 6.017 -0.712 11.007 1.00 0.00 C ATOM 248 OD1 ASN A 17 4.799 -0.869 11.014 1.00 0.00 O ATOM 249 ND2 ASN A 17 6.828 -1.458 11.737 1.00 0.00 N ATOM 0 H ASN A 17 5.568 1.489 8.250 1.00 0.00 H new ATOM 0 HA ASN A 17 7.975 -0.087 8.532 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.610 0.657 10.604 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.021 1.256 10.169 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.447 -2.194 12.332 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.835 -1.298 11.705 1.00 0.00 H new ATOM 256 N ILE A 18 7.099 -2.468 8.705 1.00 0.00 N ATOM 257 CA ILE A 18 6.827 -3.842 8.260 1.00 0.00 C ATOM 258 C ILE A 18 5.410 -4.317 8.574 1.00 0.00 C ATOM 259 O ILE A 18 4.851 -5.122 7.830 1.00 0.00 O ATOM 260 CB ILE A 18 7.831 -4.844 8.870 1.00 0.00 C ATOM 261 CG1 ILE A 18 7.791 -4.785 10.400 1.00 0.00 C ATOM 262 CG2 ILE A 18 9.238 -4.568 8.352 1.00 0.00 C ATOM 263 CD1 ILE A 18 8.643 -5.838 11.069 1.00 0.00 C ATOM 0 H ILE A 18 7.951 -2.381 9.258 1.00 0.00 H new ATOM 0 HA ILE A 18 6.938 -3.812 7.176 1.00 0.00 H new ATOM 0 HB ILE A 18 7.545 -5.850 8.564 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.124 -3.800 10.726 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.759 -4.899 10.733 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.934 -5.283 8.791 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.252 -4.668 7.267 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.535 -3.556 8.627 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.565 -5.735 12.151 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.297 -6.828 10.773 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.682 -5.711 10.766 1.00 0.00 H new ATOM 275 N GLU A 19 4.834 -3.815 9.659 1.00 0.00 N ATOM 276 CA GLU A 19 3.499 -4.222 10.077 1.00 0.00 C ATOM 277 C GLU A 19 2.441 -3.694 9.117 1.00 0.00 C ATOM 278 O GLU A 19 1.317 -4.193 9.084 1.00 0.00 O ATOM 279 CB GLU A 19 3.225 -3.721 11.493 1.00 0.00 C ATOM 280 CG GLU A 19 4.185 -4.289 12.523 1.00 0.00 C ATOM 281 CD GLU A 19 4.055 -3.615 13.869 1.00 0.00 C ATOM 282 OE1 GLU A 19 3.070 -3.892 14.587 1.00 0.00 O ATOM 283 OE2 GLU A 19 4.941 -2.807 14.217 1.00 0.00 O ATOM 0 H GLU A 19 5.272 -3.123 10.267 1.00 0.00 H new ATOM 0 HA GLU A 19 3.451 -5.311 10.065 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.290 -2.633 11.506 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.205 -3.983 11.773 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.001 -5.357 12.636 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.207 -4.178 12.162 1.00 0.00 H new ATOM 290 N GLY A 20 2.823 -2.707 8.318 1.00 0.00 N ATOM 291 CA GLY A 20 1.893 -2.086 7.401 1.00 0.00 C ATOM 292 C GLY A 20 1.578 -0.656 7.786 1.00 0.00 C ATOM 293 O GLY A 20 0.652 -0.054 7.246 1.00 0.00 O ATOM 0 H GLY A 20 3.768 -2.324 8.290 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.310 -2.106 6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.970 -2.665 7.375 1.00 0.00 H new ATOM 297 N ILE A 21 2.364 -0.099 8.702 1.00 0.00 N ATOM 298 CA ILE A 21 2.095 1.238 9.229 1.00 0.00 C ATOM 299 C ILE A 21 2.814 2.293 8.402 1.00 0.00 C ATOM 300 O ILE A 21 4.040 2.385 8.438 1.00 0.00 O ATOM 301 CB ILE A 21 2.534 1.362 10.703 1.00 0.00 C ATOM 302 CG1 ILE A 21 1.882 0.264 11.550 1.00 0.00 C ATOM 303 CG2 ILE A 21 2.186 2.740 11.256 1.00 0.00 C ATOM 304 CD1 ILE A 21 0.370 0.320 11.575 1.00 0.00 C ATOM 0 H ILE A 21 3.190 -0.550 9.095 1.00 0.00 H new ATOM 0 HA ILE A 21 1.019 1.399 9.170 1.00 0.00 H new ATOM 0 HB ILE A 21 3.616 1.239 10.749 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.193 -0.708 11.167 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.255 0.338 12.572 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.504 2.806 12.296 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.696 3.506 10.672 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.109 2.895 11.196 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.014 -0.490 12.195 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.048 1.276 11.987 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.015 0.214 10.561 1.00 0.00 H new ATOM 316 N PHE A 22 2.053 3.082 7.659 1.00 0.00 N ATOM 317 CA PHE A 22 2.623 4.046 6.722 1.00 0.00 C ATOM 318 C PHE A 22 3.338 5.183 7.440 1.00 0.00 C ATOM 319 O PHE A 22 2.830 5.734 8.417 1.00 0.00 O ATOM 320 CB PHE A 22 1.534 4.605 5.809 1.00 0.00 C ATOM 321 CG PHE A 22 0.892 3.558 4.951 1.00 0.00 C ATOM 322 CD1 PHE A 22 -0.220 2.863 5.396 1.00 0.00 C ATOM 323 CD2 PHE A 22 1.401 3.269 3.697 1.00 0.00 C ATOM 324 CE1 PHE A 22 -0.812 1.901 4.607 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.811 2.305 2.903 1.00 0.00 C ATOM 326 CZ PHE A 22 -0.297 1.622 3.358 1.00 0.00 C ATOM 0 H PHE A 22 1.033 3.075 7.685 1.00 0.00 H new ATOM 0 HA PHE A 22 3.363 3.518 6.121 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.769 5.086 6.418 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.964 5.376 5.170 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -0.628 3.077 6.373 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.268 3.802 3.336 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.679 1.366 4.966 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.217 2.086 1.926 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.761 0.870 2.737 1.00 0.00 H new ATOM 336 N THR A 23 4.522 5.517 6.947 1.00 0.00 N ATOM 337 CA THR A 23 5.323 6.591 7.512 1.00 0.00 C ATOM 338 C THR A 23 5.558 7.703 6.487 1.00 0.00 C ATOM 339 O THR A 23 5.861 8.843 6.848 1.00 0.00 O ATOM 340 CB THR A 23 6.676 6.053 8.018 1.00 0.00 C ATOM 341 OG1 THR A 23 7.228 5.136 7.061 1.00 0.00 O ATOM 342 CG2 THR A 23 6.518 5.358 9.362 1.00 0.00 C ATOM 0 H THR A 23 4.952 5.053 6.147 1.00 0.00 H new ATOM 0 HA THR A 23 4.769 7.007 8.354 1.00 0.00 H new ATOM 0 HB THR A 23 7.352 6.898 8.144 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.088 4.800 7.389 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.487 4.988 9.696 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.128 6.065 10.094 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.826 4.522 9.260 1.00 0.00 H new ATOM 350 N PHE A 24 5.419 7.370 5.204 1.00 0.00 N ATOM 351 CA PHE A 24 5.532 8.357 4.134 1.00 0.00 C ATOM 352 C PHE A 24 4.605 8.000 2.971 1.00 0.00 C ATOM 353 O PHE A 24 4.696 6.909 2.408 1.00 0.00 O ATOM 354 CB PHE A 24 6.983 8.450 3.643 1.00 0.00 C ATOM 355 CG PHE A 24 7.174 9.403 2.493 1.00 0.00 C ATOM 356 CD1 PHE A 24 7.147 10.773 2.699 1.00 0.00 C ATOM 357 CD2 PHE A 24 7.380 8.928 1.206 1.00 0.00 C ATOM 358 CE1 PHE A 24 7.322 11.650 1.645 1.00 0.00 C ATOM 359 CE2 PHE A 24 7.555 9.801 0.149 1.00 0.00 C ATOM 360 CZ PHE A 24 7.525 11.165 0.368 1.00 0.00 C ATOM 0 H PHE A 24 5.228 6.422 4.881 1.00 0.00 H new ATOM 0 HA PHE A 24 5.233 9.327 4.531 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.618 8.763 4.472 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.319 7.458 3.341 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.987 11.160 3.695 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.404 7.863 1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.300 12.715 1.820 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.715 9.417 -0.848 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.660 11.849 -0.457 1.00 0.00 H new ATOM 370 N VAL A 25 3.713 8.921 2.620 1.00 0.00 N ATOM 371 CA VAL A 25 2.773 8.707 1.524 1.00 0.00 C ATOM 372 C VAL A 25 2.771 9.902 0.570 1.00 0.00 C ATOM 373 O VAL A 25 2.792 11.055 1.006 1.00 0.00 O ATOM 374 CB VAL A 25 1.339 8.479 2.051 1.00 0.00 C ATOM 375 CG1 VAL A 25 0.353 8.361 0.899 1.00 0.00 C ATOM 376 CG2 VAL A 25 1.280 7.238 2.928 1.00 0.00 C ATOM 0 H VAL A 25 3.621 9.826 3.081 1.00 0.00 H new ATOM 0 HA VAL A 25 3.099 7.815 0.989 1.00 0.00 H new ATOM 0 HB VAL A 25 1.060 9.342 2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.650 8.201 1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.369 9.278 0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.632 7.519 0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.261 7.096 3.289 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.584 6.367 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.952 7.360 3.777 1.00 0.00 H new ATOM 386 N ASP A 26 2.764 9.618 -0.729 1.00 0.00 N ATOM 387 CA ASP A 26 2.697 10.652 -1.755 1.00 0.00 C ATOM 388 C ASP A 26 1.248 11.034 -2.050 1.00 0.00 C ATOM 389 O ASP A 26 0.341 10.208 -1.961 1.00 0.00 O ATOM 390 CB ASP A 26 3.371 10.151 -3.036 1.00 0.00 C ATOM 391 CG ASP A 26 3.398 11.196 -4.134 1.00 0.00 C ATOM 392 OD1 ASP A 26 2.387 11.345 -4.854 1.00 0.00 O ATOM 393 OD2 ASP A 26 4.431 11.880 -4.285 1.00 0.00 O ATOM 0 H ASP A 26 2.804 8.668 -1.098 1.00 0.00 H new ATOM 0 HA ASP A 26 3.218 11.537 -1.388 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.392 9.844 -2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.845 9.267 -3.396 1.00 0.00 H new ATOM 398 N HIS A 27 1.071 12.305 -2.405 1.00 0.00 N ATOM 399 CA HIS A 27 -0.238 12.923 -2.649 1.00 0.00 C ATOM 400 C HIS A 27 -1.123 12.135 -3.611 1.00 0.00 C ATOM 401 O HIS A 27 -2.340 12.303 -3.607 1.00 0.00 O ATOM 402 CB HIS A 27 -0.032 14.319 -3.226 1.00 0.00 C ATOM 403 CG HIS A 27 0.569 15.317 -2.282 1.00 0.00 C ATOM 404 ND1 HIS A 27 1.871 15.741 -2.368 1.00 0.00 N ATOM 405 CD2 HIS A 27 0.012 16.030 -1.281 1.00 0.00 C ATOM 406 CE1 HIS A 27 2.089 16.678 -1.466 1.00 0.00 C ATOM 407 NE2 HIS A 27 0.973 16.883 -0.789 1.00 0.00 N ATOM 0 H HIS A 27 1.849 12.952 -2.535 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.749 12.948 -1.686 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.609 14.241 -4.104 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -0.995 14.699 -3.567 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.006 15.946 -0.929 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.025 17.193 -1.307 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.846 17.556 -0.033 1.00 0.00 H new ATOM 416 N ARG A 28 -0.521 11.293 -4.443 1.00 0.00 N ATOM 417 CA ARG A 28 -1.275 10.507 -5.422 1.00 0.00 C ATOM 418 C ARG A 28 -2.193 9.486 -4.743 1.00 0.00 C ATOM 419 O ARG A 28 -2.990 8.811 -5.403 1.00 0.00 O ATOM 420 CB ARG A 28 -0.315 9.802 -6.378 1.00 0.00 C ATOM 421 CG ARG A 28 0.530 10.762 -7.193 1.00 0.00 C ATOM 422 CD ARG A 28 1.582 10.035 -8.014 1.00 0.00 C ATOM 423 NE ARG A 28 2.445 10.971 -8.733 1.00 0.00 N ATOM 424 CZ ARG A 28 3.045 10.701 -9.887 1.00 0.00 C ATOM 425 NH1 ARG A 28 2.953 9.486 -10.418 1.00 0.00 N ATOM 426 NH2 ARG A 28 3.763 11.640 -10.494 1.00 0.00 N ATOM 0 H ARG A 28 0.486 11.135 -4.462 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.907 11.194 -5.986 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.341 9.147 -5.805 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.887 9.168 -7.055 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.114 11.338 -7.857 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.018 11.473 -6.526 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.188 9.410 -7.358 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.093 9.370 -8.726 1.00 0.00 H new ATOM 0 HE ARG A 28 2.596 11.892 -8.321 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.421 8.759 -9.939 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.414 9.280 -11.304 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.852 12.565 -10.074 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.225 11.436 -11.380 1.00 0.00 H new ATOM 440 N CYS A 29 -2.084 9.381 -3.426 1.00 0.00 N ATOM 441 CA CYS A 29 -2.910 8.472 -2.648 1.00 0.00 C ATOM 442 C CYS A 29 -4.385 8.850 -2.729 1.00 0.00 C ATOM 443 O CYS A 29 -5.249 7.974 -2.792 1.00 0.00 O ATOM 444 CB CYS A 29 -2.440 8.463 -1.196 1.00 0.00 C ATOM 445 SG CYS A 29 -2.377 10.103 -0.450 1.00 0.00 S ATOM 0 H CYS A 29 -1.422 9.922 -2.869 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.805 7.471 -3.067 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -3.108 7.832 -0.610 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.449 8.012 -1.146 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.575 10.466 -0.099 1.00 0.00 H new ATOM 451 N VAL A 30 -4.672 10.150 -2.763 1.00 0.00 N ATOM 452 CA VAL A 30 -6.052 10.619 -2.785 1.00 0.00 C ATOM 453 C VAL A 30 -6.764 10.153 -4.044 1.00 0.00 C ATOM 454 O VAL A 30 -7.967 9.899 -4.033 1.00 0.00 O ATOM 455 CB VAL A 30 -6.143 12.157 -2.683 1.00 0.00 C ATOM 456 CG1 VAL A 30 -5.510 12.647 -1.395 1.00 0.00 C ATOM 457 CG2 VAL A 30 -5.501 12.828 -3.888 1.00 0.00 C ATOM 0 H VAL A 30 -3.971 10.891 -2.776 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.542 10.189 -1.911 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.198 12.429 -2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.585 13.733 -1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.029 12.206 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.460 12.354 -1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.581 13.910 -3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.450 12.545 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.012 12.510 -4.797 1.00 0.00 H new ATOM 467 N ALA A 31 -6.015 10.018 -5.126 1.00 0.00 N ATOM 468 CA ALA A 31 -6.595 9.582 -6.383 1.00 0.00 C ATOM 469 C ALA A 31 -6.794 8.076 -6.389 1.00 0.00 C ATOM 470 O ALA A 31 -7.882 7.585 -6.680 1.00 0.00 O ATOM 471 CB ALA A 31 -5.716 9.996 -7.545 1.00 0.00 C ATOM 0 H ALA A 31 -5.012 10.203 -5.159 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.568 10.061 -6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.166 9.661 -8.479 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.618 11.081 -7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.730 9.544 -7.435 1.00 0.00 H new ATOM 477 N THR A 32 -5.731 7.354 -6.070 1.00 0.00 N ATOM 478 CA THR A 32 -5.771 5.901 -6.011 1.00 0.00 C ATOM 479 C THR A 32 -6.780 5.374 -4.990 1.00 0.00 C ATOM 480 O THR A 32 -7.611 4.527 -5.316 1.00 0.00 O ATOM 481 CB THR A 32 -4.382 5.349 -5.656 1.00 0.00 C ATOM 482 OG1 THR A 32 -3.373 6.112 -6.333 1.00 0.00 O ATOM 483 CG2 THR A 32 -4.258 3.885 -6.048 1.00 0.00 C ATOM 0 H THR A 32 -4.821 7.756 -5.846 1.00 0.00 H new ATOM 0 HA THR A 32 -6.084 5.562 -6.999 1.00 0.00 H new ATOM 0 HB THR A 32 -4.248 5.429 -4.577 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.213 6.947 -5.846 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.265 3.521 -5.785 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.011 3.301 -5.518 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.410 3.782 -7.122 1.00 0.00 H new ATOM 491 N VAL A 33 -6.710 5.863 -3.754 1.00 0.00 N ATOM 492 CA VAL A 33 -7.458 5.243 -2.665 1.00 0.00 C ATOM 493 C VAL A 33 -8.261 6.256 -1.847 1.00 0.00 C ATOM 494 O VAL A 33 -8.849 5.905 -0.829 1.00 0.00 O ATOM 495 CB VAL A 33 -6.515 4.464 -1.721 1.00 0.00 C ATOM 496 CG1 VAL A 33 -5.734 3.415 -2.494 1.00 0.00 C ATOM 497 CG2 VAL A 33 -5.564 5.406 -0.996 1.00 0.00 C ATOM 0 H VAL A 33 -6.152 6.673 -3.485 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.162 4.557 -3.135 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.129 3.962 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.075 2.877 -1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.428 2.714 -2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.138 3.901 -3.267 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.912 4.830 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.959 5.945 -1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.139 6.118 -0.404 1.00 0.00 H new ATOM 507 N GLY A 34 -8.278 7.506 -2.277 1.00 0.00 N ATOM 508 CA GLY A 34 -9.084 8.502 -1.590 1.00 0.00 C ATOM 509 C GLY A 34 -8.386 9.136 -0.397 1.00 0.00 C ATOM 510 O GLY A 34 -8.586 10.316 -0.113 1.00 0.00 O ATOM 0 H GLY A 34 -7.755 7.851 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.359 9.285 -2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.011 8.037 -1.253 1.00 0.00 H new ATOM 514 N TYR A 35 -7.572 8.358 0.303 1.00 0.00 N ATOM 515 CA TYR A 35 -6.923 8.838 1.518 1.00 0.00 C ATOM 516 C TYR A 35 -5.831 9.838 1.198 1.00 0.00 C ATOM 517 O TYR A 35 -5.142 9.719 0.190 1.00 0.00 O ATOM 518 CB TYR A 35 -6.329 7.680 2.321 1.00 0.00 C ATOM 519 CG TYR A 35 -7.359 6.681 2.772 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.482 7.095 3.472 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.215 5.332 2.498 1.00 0.00 C ATOM 522 CE1 TYR A 35 -9.437 6.191 3.885 1.00 0.00 C ATOM 523 CE2 TYR A 35 -8.162 4.421 2.909 1.00 0.00 C ATOM 524 CZ TYR A 35 -9.274 4.857 3.600 1.00 0.00 C ATOM 525 OH TYR A 35 -10.226 3.952 4.003 1.00 0.00 O ATOM 0 H TYR A 35 -7.345 7.396 0.053 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.690 9.330 2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.581 7.171 1.713 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.813 8.079 3.194 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.611 8.143 3.697 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.347 4.989 1.954 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.307 6.529 4.429 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.035 3.371 2.692 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.892 3.447 4.773 1.00 0.00 H new ATOM 535 N GLN A 36 -5.685 10.820 2.065 1.00 0.00 N ATOM 536 CA GLN A 36 -4.635 11.810 1.921 1.00 0.00 C ATOM 537 C GLN A 36 -3.389 11.312 2.645 1.00 0.00 C ATOM 538 O GLN A 36 -3.490 10.396 3.459 1.00 0.00 O ATOM 539 CB GLN A 36 -5.087 13.158 2.490 1.00 0.00 C ATOM 540 CG GLN A 36 -6.520 13.521 2.134 1.00 0.00 C ATOM 541 CD GLN A 36 -6.814 14.986 2.311 1.00 0.00 C ATOM 542 OE1 GLN A 36 -7.159 15.446 3.396 1.00 0.00 O ATOM 543 NE2 GLN A 36 -6.706 15.727 1.226 1.00 0.00 N ATOM 0 H GLN A 36 -6.283 10.954 2.880 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.409 11.954 0.864 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.986 13.137 3.575 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.421 13.939 2.123 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.715 13.239 1.099 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.202 12.941 2.756 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.416 15.302 0.345 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.913 16.725 1.267 1.00 0.00 H new ATOM 552 N PRO A 37 -2.206 11.884 2.356 1.00 0.00 N ATOM 553 CA PRO A 37 -0.950 11.445 2.979 1.00 0.00 C ATOM 554 C PRO A 37 -1.078 11.285 4.493 1.00 0.00 C ATOM 555 O PRO A 37 -0.795 10.220 5.040 1.00 0.00 O ATOM 556 CB PRO A 37 0.013 12.579 2.641 1.00 0.00 C ATOM 557 CG PRO A 37 -0.490 13.128 1.352 1.00 0.00 C ATOM 558 CD PRO A 37 -1.987 12.977 1.386 1.00 0.00 C ATOM 0 HA PRO A 37 -0.629 10.467 2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.018 13.340 3.421 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.036 12.215 2.544 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.207 14.174 1.238 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.064 12.588 0.506 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.475 13.898 1.704 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.387 12.727 0.403 1.00 0.00 H new ATOM 566 N GLN A 38 -1.580 12.330 5.141 1.00 0.00 N ATOM 567 CA GLN A 38 -1.732 12.348 6.594 1.00 0.00 C ATOM 568 C GLN A 38 -2.689 11.253 7.046 1.00 0.00 C ATOM 569 O GLN A 38 -2.451 10.580 8.047 1.00 0.00 O ATOM 570 CB GLN A 38 -2.248 13.714 7.053 1.00 0.00 C ATOM 571 CG GLN A 38 -1.337 14.867 6.669 1.00 0.00 C ATOM 572 CD GLN A 38 0.024 14.787 7.328 1.00 0.00 C ATOM 573 OE1 GLN A 38 0.159 14.292 8.447 1.00 0.00 O ATOM 574 NE2 GLN A 38 1.046 15.253 6.628 1.00 0.00 N ATOM 0 H GLN A 38 -1.892 13.184 4.679 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.756 12.166 7.045 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.235 13.883 6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.369 13.702 8.136 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.211 14.879 5.586 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.814 15.808 6.945 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.890 15.655 5.704 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.990 15.210 7.013 1.00 0.00 H new ATOM 583 N GLU A 39 -3.744 11.055 6.264 1.00 0.00 N ATOM 584 CA GLU A 39 -4.781 10.082 6.576 1.00 0.00 C ATOM 585 C GLU A 39 -4.214 8.683 6.720 1.00 0.00 C ATOM 586 O GLU A 39 -4.667 7.906 7.561 1.00 0.00 O ATOM 587 CB GLU A 39 -5.854 10.090 5.490 1.00 0.00 C ATOM 588 CG GLU A 39 -6.971 11.074 5.753 1.00 0.00 C ATOM 589 CD GLU A 39 -7.839 10.635 6.910 1.00 0.00 C ATOM 590 OE1 GLU A 39 -7.477 10.913 8.070 1.00 0.00 O ATOM 591 OE2 GLU A 39 -8.873 9.978 6.662 1.00 0.00 O ATOM 0 H GLU A 39 -3.903 11.566 5.395 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.222 10.368 7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.389 10.327 4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.276 9.089 5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.549 12.056 5.966 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.583 11.178 4.857 1.00 0.00 H new ATOM 598 N LEU A 40 -3.225 8.357 5.910 1.00 0.00 N ATOM 599 CA LEU A 40 -2.697 7.007 5.898 1.00 0.00 C ATOM 600 C LEU A 40 -1.577 6.856 6.922 1.00 0.00 C ATOM 601 O LEU A 40 -1.263 5.744 7.354 1.00 0.00 O ATOM 602 CB LEU A 40 -2.213 6.660 4.493 1.00 0.00 C ATOM 603 CG LEU A 40 -2.287 5.179 4.128 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.681 4.628 4.402 1.00 0.00 C ATOM 605 CD2 LEU A 40 -1.919 4.982 2.667 1.00 0.00 C ATOM 0 H LEU A 40 -2.775 9.000 5.259 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.488 6.311 6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.804 7.225 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.180 6.992 4.389 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.575 4.633 4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.714 3.572 4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.916 4.743 5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.412 5.175 3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.975 3.922 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.613 5.540 2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.905 5.342 2.496 1.00 0.00 H new ATOM 617 N LEU A 41 -0.986 7.979 7.315 1.00 0.00 N ATOM 618 CA LEU A 41 0.080 7.969 8.311 1.00 0.00 C ATOM 619 C LEU A 41 -0.475 7.625 9.691 1.00 0.00 C ATOM 620 O LEU A 41 -0.976 8.493 10.409 1.00 0.00 O ATOM 621 CB LEU A 41 0.796 9.321 8.365 1.00 0.00 C ATOM 622 CG LEU A 41 1.337 9.838 7.030 1.00 0.00 C ATOM 623 CD1 LEU A 41 2.004 11.191 7.214 1.00 0.00 C ATOM 624 CD2 LEU A 41 2.308 8.842 6.422 1.00 0.00 C ATOM 0 H LEU A 41 -1.226 8.905 6.961 1.00 0.00 H new ATOM 0 HA LEU A 41 0.800 7.205 8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.105 10.062 8.768 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.626 9.244 9.067 1.00 0.00 H new ATOM 0 HG LEU A 41 0.498 9.958 6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.383 11.543 6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.277 11.905 7.602 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.831 11.096 7.918 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.680 9.229 5.474 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.144 8.686 7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.798 7.894 6.251 1.00 0.00 H new ATOM 636 N GLY A 42 -0.393 6.351 10.048 1.00 0.00 N ATOM 637 CA GLY A 42 -0.852 5.916 11.351 1.00 0.00 C ATOM 638 C GLY A 42 -1.771 4.717 11.282 1.00 0.00 C ATOM 639 O GLY A 42 -1.861 3.941 12.234 1.00 0.00 O ATOM 0 H GLY A 42 -0.016 5.610 9.457 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.010 5.671 11.971 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.373 6.739 11.840 1.00 0.00 H new ATOM 643 N LYS A 43 -2.449 4.550 10.157 1.00 0.00 N ATOM 644 CA LYS A 43 -3.395 3.462 10.005 1.00 0.00 C ATOM 645 C LYS A 43 -2.835 2.403 9.063 1.00 0.00 C ATOM 646 O LYS A 43 -2.261 2.722 8.024 1.00 0.00 O ATOM 647 CB LYS A 43 -4.741 4.000 9.507 1.00 0.00 C ATOM 648 CG LYS A 43 -5.385 4.975 10.488 1.00 0.00 C ATOM 649 CD LYS A 43 -6.847 5.242 10.159 1.00 0.00 C ATOM 650 CE LYS A 43 -7.016 6.153 8.953 1.00 0.00 C ATOM 651 NZ LYS A 43 -6.662 7.565 9.258 1.00 0.00 N ATOM 0 H LYS A 43 -2.360 5.154 9.340 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.559 2.992 10.975 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.596 4.498 8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.419 3.165 9.333 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.309 4.574 11.499 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.834 5.916 10.477 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.352 4.295 9.968 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.334 5.694 11.023 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.390 5.792 8.137 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.049 6.106 8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.531 8.126 9.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.118 7.603 10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.088 7.954 8.483 1.00 0.00 H new ATOM 665 N ASN A 44 -2.994 1.143 9.450 1.00 0.00 N ATOM 666 CA ASN A 44 -2.397 0.024 8.724 1.00 0.00 C ATOM 667 C ASN A 44 -3.130 -0.231 7.410 1.00 0.00 C ATOM 668 O ASN A 44 -4.351 -0.095 7.326 1.00 0.00 O ATOM 669 CB ASN A 44 -2.448 -1.235 9.601 1.00 0.00 C ATOM 670 CG ASN A 44 -1.502 -2.332 9.139 1.00 0.00 C ATOM 671 OD1 ASN A 44 -1.249 -2.505 7.949 1.00 0.00 O ATOM 672 ND2 ASN A 44 -0.969 -3.087 10.084 1.00 0.00 N ATOM 0 H ASN A 44 -3.536 0.867 10.269 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.362 0.273 8.492 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.204 -0.963 10.628 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.467 -1.623 9.608 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.327 -3.839 9.834 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.200 -2.917 11.063 1.00 0.00 H new ATOM 679 N ILE A 45 -2.363 -0.612 6.391 1.00 0.00 N ATOM 680 CA ILE A 45 -2.910 -0.979 5.089 1.00 0.00 C ATOM 681 C ILE A 45 -3.830 -2.191 5.217 1.00 0.00 C ATOM 682 O ILE A 45 -4.755 -2.363 4.429 1.00 0.00 O ATOM 683 CB ILE A 45 -1.780 -1.285 4.070 1.00 0.00 C ATOM 684 CG1 ILE A 45 -2.361 -1.573 2.681 1.00 0.00 C ATOM 685 CG2 ILE A 45 -0.923 -2.454 4.542 1.00 0.00 C ATOM 686 CD1 ILE A 45 -1.312 -1.784 1.611 1.00 0.00 C ATOM 0 H ILE A 45 -1.346 -0.675 6.445 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.485 -0.129 4.722 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.145 -0.402 4.000 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.992 -2.460 2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.004 -0.743 2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.138 -2.649 3.811 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.471 -2.209 5.503 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.546 -3.342 4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.800 -1.982 0.657 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.696 -0.889 1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.683 -2.633 1.880 1.00 0.00 H new ATOM 698 N VAL A 46 -3.587 -3.013 6.233 1.00 0.00 N ATOM 699 CA VAL A 46 -4.393 -4.197 6.469 1.00 0.00 C ATOM 700 C VAL A 46 -5.747 -3.812 7.073 1.00 0.00 C ATOM 701 O VAL A 46 -6.732 -4.531 6.917 1.00 0.00 O ATOM 702 CB VAL A 46 -3.658 -5.186 7.393 1.00 0.00 C ATOM 703 CG1 VAL A 46 -4.468 -6.461 7.590 1.00 0.00 C ATOM 704 CG2 VAL A 46 -2.282 -5.513 6.832 1.00 0.00 C ATOM 0 H VAL A 46 -2.834 -2.876 6.907 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.564 -4.687 5.510 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.537 -4.711 8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.924 -7.140 8.247 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.430 -6.215 8.039 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.630 -6.942 6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.775 -6.213 7.496 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.389 -5.962 5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.695 -4.598 6.753 1.00 0.00 H new ATOM 714 N GLU A 47 -5.794 -2.655 7.736 1.00 0.00 N ATOM 715 CA GLU A 47 -7.047 -2.129 8.274 1.00 0.00 C ATOM 716 C GLU A 47 -7.965 -1.717 7.130 1.00 0.00 C ATOM 717 O GLU A 47 -9.191 -1.725 7.255 1.00 0.00 O ATOM 718 CB GLU A 47 -6.786 -0.927 9.184 1.00 0.00 C ATOM 719 CG GLU A 47 -6.034 -1.271 10.456 1.00 0.00 C ATOM 720 CD GLU A 47 -6.835 -2.156 11.387 1.00 0.00 C ATOM 721 OE1 GLU A 47 -7.793 -1.653 12.010 1.00 0.00 O ATOM 722 OE2 GLU A 47 -6.505 -3.354 11.507 1.00 0.00 O ATOM 0 H GLU A 47 -4.980 -2.066 7.912 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.525 -2.911 8.863 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.219 -0.180 8.629 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.740 -0.471 9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.101 -1.773 10.197 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.768 -0.351 10.976 1.00 0.00 H new ATOM 729 N PHE A 48 -7.361 -1.353 6.008 1.00 0.00 N ATOM 730 CA PHE A 48 -8.117 -0.970 4.828 1.00 0.00 C ATOM 731 C PHE A 48 -8.007 -2.044 3.763 1.00 0.00 C ATOM 732 O PHE A 48 -8.345 -1.824 2.602 1.00 0.00 O ATOM 733 CB PHE A 48 -7.630 0.368 4.282 1.00 0.00 C ATOM 734 CG PHE A 48 -7.759 1.484 5.271 1.00 0.00 C ATOM 735 CD1 PHE A 48 -8.991 1.795 5.826 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.649 2.215 5.655 1.00 0.00 C ATOM 737 CE1 PHE A 48 -9.111 2.818 6.742 1.00 0.00 C ATOM 738 CE2 PHE A 48 -6.765 3.239 6.572 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.999 3.540 7.116 1.00 0.00 C ATOM 0 H PHE A 48 -6.348 -1.315 5.892 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.164 -0.862 5.113 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.586 0.274 3.983 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.198 0.617 3.385 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.865 1.230 5.538 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.683 1.982 5.233 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.076 3.053 7.166 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.893 3.805 6.864 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.092 4.341 7.834 1.00 0.00 H new ATOM 749 N CYS A 49 -7.528 -3.201 4.173 1.00 0.00 N ATOM 750 CA CYS A 49 -7.431 -4.341 3.286 1.00 0.00 C ATOM 751 C CYS A 49 -8.710 -5.150 3.340 1.00 0.00 C ATOM 752 O CYS A 49 -9.243 -5.401 4.422 1.00 0.00 O ATOM 753 CB CYS A 49 -6.246 -5.225 3.679 1.00 0.00 C ATOM 754 SG CYS A 49 -6.181 -6.796 2.790 1.00 0.00 S ATOM 0 H CYS A 49 -7.198 -3.376 5.122 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.277 -3.977 2.270 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.321 -4.678 3.498 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.294 -5.426 4.749 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.337 -7.385 2.865 1.00 0.00 H new ATOM 760 N HIS A 50 -9.222 -5.503 2.163 1.00 0.00 N ATOM 761 CA HIS A 50 -10.368 -6.395 2.051 1.00 0.00 C ATOM 762 C HIS A 50 -10.180 -7.576 3.000 1.00 0.00 C ATOM 763 O HIS A 50 -9.166 -8.261 2.943 1.00 0.00 O ATOM 764 CB HIS A 50 -10.503 -6.875 0.601 1.00 0.00 C ATOM 765 CG HIS A 50 -11.721 -7.705 0.327 1.00 0.00 C ATOM 766 ND1 HIS A 50 -11.661 -9.003 -0.125 1.00 0.00 N ATOM 767 CD2 HIS A 50 -13.035 -7.406 0.428 1.00 0.00 C ATOM 768 CE1 HIS A 50 -12.883 -9.468 -0.286 1.00 0.00 C ATOM 769 NE2 HIS A 50 -13.738 -8.521 0.045 1.00 0.00 N ATOM 0 H HIS A 50 -8.856 -5.180 1.267 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.282 -5.868 2.326 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -10.518 -6.005 -0.056 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.618 -7.456 0.341 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -10.803 -9.524 -0.307 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.454 -6.464 0.750 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.141 -10.458 -0.631 1.00 0.00 H new ATOM 778 N PRO A 51 -11.150 -7.785 3.911 1.00 0.00 N ATOM 779 CA PRO A 51 -11.063 -8.789 4.987 1.00 0.00 C ATOM 780 C PRO A 51 -10.639 -10.178 4.521 1.00 0.00 C ATOM 781 O PRO A 51 -10.043 -10.935 5.285 1.00 0.00 O ATOM 782 CB PRO A 51 -12.488 -8.835 5.534 1.00 0.00 C ATOM 783 CG PRO A 51 -13.029 -7.474 5.280 1.00 0.00 C ATOM 784 CD PRO A 51 -12.399 -7.004 3.998 1.00 0.00 C ATOM 0 HA PRO A 51 -10.298 -8.511 5.712 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.082 -9.598 5.031 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.497 -9.074 6.598 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -14.115 -7.497 5.194 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.788 -6.800 6.102 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.048 -7.190 3.142 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.200 -5.933 4.020 1.00 0.00 H new ATOM 792 N GLU A 52 -10.930 -10.514 3.276 1.00 0.00 N ATOM 793 CA GLU A 52 -10.585 -11.823 2.749 1.00 0.00 C ATOM 794 C GLU A 52 -9.200 -11.817 2.108 1.00 0.00 C ATOM 795 O GLU A 52 -8.691 -12.865 1.711 1.00 0.00 O ATOM 796 CB GLU A 52 -11.634 -12.280 1.740 1.00 0.00 C ATOM 797 CG GLU A 52 -13.000 -12.518 2.356 1.00 0.00 C ATOM 798 CD GLU A 52 -12.940 -13.494 3.509 1.00 0.00 C ATOM 799 OE1 GLU A 52 -12.467 -14.631 3.305 1.00 0.00 O ATOM 800 OE2 GLU A 52 -13.340 -13.122 4.631 1.00 0.00 O ATOM 0 H GLU A 52 -11.403 -9.900 2.613 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.565 -12.525 3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.724 -11.529 0.955 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.293 -13.199 1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.410 -11.570 2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.680 -12.899 1.594 1.00 0.00 H new ATOM 807 N ASP A 53 -8.589 -10.641 2.033 1.00 0.00 N ATOM 808 CA ASP A 53 -7.317 -10.471 1.335 1.00 0.00 C ATOM 809 C ASP A 53 -6.211 -10.214 2.347 1.00 0.00 C ATOM 810 O ASP A 53 -5.034 -10.141 1.994 1.00 0.00 O ATOM 811 CB ASP A 53 -7.362 -9.275 0.365 1.00 0.00 C ATOM 812 CG ASP A 53 -8.493 -9.317 -0.647 1.00 0.00 C ATOM 813 OD1 ASP A 53 -9.379 -10.192 -0.545 1.00 0.00 O ATOM 814 OD2 ASP A 53 -8.522 -8.444 -1.541 1.00 0.00 O ATOM 0 H ASP A 53 -8.955 -9.785 2.449 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.127 -11.383 0.770 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.448 -8.357 0.946 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.415 -9.225 -0.172 1.00 0.00 H new ATOM 819 N GLN A 54 -6.596 -10.077 3.615 1.00 0.00 N ATOM 820 CA GLN A 54 -5.662 -9.686 4.663 1.00 0.00 C ATOM 821 C GLN A 54 -4.587 -10.752 4.848 1.00 0.00 C ATOM 822 O GLN A 54 -3.420 -10.437 5.084 1.00 0.00 O ATOM 823 CB GLN A 54 -6.410 -9.434 5.976 1.00 0.00 C ATOM 824 CG GLN A 54 -7.565 -8.452 5.830 1.00 0.00 C ATOM 825 CD GLN A 54 -8.286 -8.181 7.136 1.00 0.00 C ATOM 826 OE1 GLN A 54 -9.190 -8.921 7.520 1.00 0.00 O ATOM 827 NE2 GLN A 54 -7.929 -7.096 7.804 1.00 0.00 N ATOM 0 H GLN A 54 -7.551 -10.232 3.939 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.172 -8.759 4.364 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.793 -10.381 6.356 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.709 -9.053 6.718 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.186 -7.512 5.430 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.277 -8.844 5.104 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.174 -6.507 7.453 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.409 -6.849 8.669 1.00 0.00 H new ATOM 836 N GLN A 55 -4.985 -12.011 4.711 1.00 0.00 N ATOM 837 CA GLN A 55 -4.050 -13.129 4.776 1.00 0.00 C ATOM 838 C GLN A 55 -3.153 -13.143 3.537 1.00 0.00 C ATOM 839 O GLN A 55 -1.961 -13.439 3.623 1.00 0.00 O ATOM 840 CB GLN A 55 -4.822 -14.449 4.898 1.00 0.00 C ATOM 841 CG GLN A 55 -3.971 -15.707 4.747 1.00 0.00 C ATOM 842 CD GLN A 55 -2.853 -15.837 5.773 1.00 0.00 C ATOM 843 OE1 GLN A 55 -1.800 -16.400 5.474 1.00 0.00 O ATOM 844 NE2 GLN A 55 -3.073 -15.354 6.987 1.00 0.00 N ATOM 0 H GLN A 55 -5.955 -12.285 4.553 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.417 -13.012 5.656 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.315 -14.476 5.870 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.607 -14.466 4.141 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.619 -16.580 4.821 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.534 -15.718 3.748 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.958 -14.893 7.200 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.358 -15.443 7.709 1.00 0.00 H new ATOM 853 N LEU A 56 -3.735 -12.805 2.390 1.00 0.00 N ATOM 854 CA LEU A 56 -2.993 -12.746 1.137 1.00 0.00 C ATOM 855 C LEU A 56 -1.898 -11.686 1.241 1.00 0.00 C ATOM 856 O LEU A 56 -0.735 -11.943 0.912 1.00 0.00 O ATOM 857 CB LEU A 56 -3.949 -12.429 -0.023 1.00 0.00 C ATOM 858 CG LEU A 56 -3.597 -13.059 -1.377 1.00 0.00 C ATOM 859 CD1 LEU A 56 -4.698 -12.783 -2.389 1.00 0.00 C ATOM 860 CD2 LEU A 56 -2.268 -12.540 -1.902 1.00 0.00 C ATOM 0 H LEU A 56 -4.723 -12.567 2.304 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.527 -13.712 0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.950 -12.756 0.258 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.990 -11.347 -0.148 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.506 -14.135 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.435 -13.236 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.636 -13.209 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.813 -11.707 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.049 -13.007 -2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.324 -11.459 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.477 -12.782 -1.192 1.00 0.00 H new ATOM 872 N LEU A 57 -2.276 -10.506 1.718 1.00 0.00 N ATOM 873 CA LEU A 57 -1.313 -9.440 1.969 1.00 0.00 C ATOM 874 C LEU A 57 -0.305 -9.869 3.019 1.00 0.00 C ATOM 875 O LEU A 57 0.881 -9.606 2.879 1.00 0.00 O ATOM 876 CB LEU A 57 -1.998 -8.149 2.428 1.00 0.00 C ATOM 877 CG LEU A 57 -2.531 -7.252 1.311 1.00 0.00 C ATOM 878 CD1 LEU A 57 -3.084 -5.966 1.895 1.00 0.00 C ATOM 879 CD2 LEU A 57 -1.440 -6.942 0.299 1.00 0.00 C ATOM 0 H LEU A 57 -3.242 -10.263 1.939 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.803 -9.243 1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.827 -8.412 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.289 -7.574 3.024 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.332 -7.783 0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.461 -5.334 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.895 -6.199 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.293 -5.440 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.843 -6.302 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.617 -6.430 0.797 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.077 -7.871 -0.141 1.00 0.00 H new ATOM 891 N ARG A 58 -0.784 -10.533 4.065 1.00 0.00 N ATOM 892 CA ARG A 58 0.083 -10.985 5.147 1.00 0.00 C ATOM 893 C ARG A 58 1.187 -11.876 4.598 1.00 0.00 C ATOM 894 O ARG A 58 2.370 -11.619 4.817 1.00 0.00 O ATOM 895 CB ARG A 58 -0.735 -11.742 6.196 1.00 0.00 C ATOM 896 CG ARG A 58 0.033 -12.074 7.464 1.00 0.00 C ATOM 897 CD ARG A 58 -0.859 -12.783 8.467 1.00 0.00 C ATOM 898 NE ARG A 58 -0.187 -13.025 9.742 1.00 0.00 N ATOM 899 CZ ARG A 58 -0.814 -13.445 10.841 1.00 0.00 C ATOM 900 NH1 ARG A 58 -2.126 -13.650 10.833 1.00 0.00 N ATOM 901 NH2 ARG A 58 -0.132 -13.648 11.961 1.00 0.00 N ATOM 0 H ARG A 58 -1.769 -10.770 4.187 1.00 0.00 H new ATOM 0 HA ARG A 58 0.539 -10.114 5.619 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.608 -11.145 6.459 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.103 -12.668 5.754 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.888 -12.705 7.222 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.428 -11.159 7.905 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.753 -12.184 8.639 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.188 -13.734 8.047 1.00 0.00 H new ATOM 0 HE ARG A 58 0.819 -12.863 9.794 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.663 -13.486 9.981 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.597 -13.971 11.679 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.874 -13.483 11.982 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.614 -13.969 12.801 1.00 0.00 H new ATOM 915 N ASP A 59 0.789 -12.897 3.853 1.00 0.00 N ATOM 916 CA ASP A 59 1.727 -13.848 3.269 1.00 0.00 C ATOM 917 C ASP A 59 2.708 -13.137 2.354 1.00 0.00 C ATOM 918 O ASP A 59 3.915 -13.318 2.461 1.00 0.00 O ATOM 919 CB ASP A 59 0.969 -14.887 2.449 1.00 0.00 C ATOM 920 CG ASP A 59 1.695 -16.218 2.343 1.00 0.00 C ATOM 921 OD1 ASP A 59 2.910 -16.234 2.038 1.00 0.00 O ATOM 922 OD2 ASP A 59 1.047 -17.261 2.569 1.00 0.00 O ATOM 0 H ASP A 59 -0.189 -13.090 3.636 1.00 0.00 H new ATOM 0 HA ASP A 59 2.270 -14.331 4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.010 -15.050 2.899 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.798 -14.494 1.447 1.00 0.00 H new ATOM 927 N SER A 60 2.170 -12.299 1.481 1.00 0.00 N ATOM 928 CA SER A 60 2.954 -11.660 0.435 1.00 0.00 C ATOM 929 C SER A 60 3.908 -10.617 1.017 1.00 0.00 C ATOM 930 O SER A 60 5.020 -10.430 0.520 1.00 0.00 O ATOM 931 CB SER A 60 2.018 -11.038 -0.603 1.00 0.00 C ATOM 932 OG SER A 60 1.259 -12.038 -1.263 1.00 0.00 O ATOM 0 H SER A 60 1.183 -12.044 1.477 1.00 0.00 H new ATOM 0 HA SER A 60 3.567 -12.416 -0.055 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.348 -10.329 -0.116 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.600 -10.476 -1.333 1.00 0.00 H new ATOM 0 HG SER A 60 0.520 -12.323 -0.685 1.00 0.00 H new ATOM 938 N PHE A 61 3.485 -9.956 2.086 1.00 0.00 N ATOM 939 CA PHE A 61 4.349 -9.011 2.770 1.00 0.00 C ATOM 940 C PHE A 61 5.493 -9.759 3.431 1.00 0.00 C ATOM 941 O PHE A 61 6.635 -9.304 3.424 1.00 0.00 O ATOM 942 CB PHE A 61 3.570 -8.201 3.810 1.00 0.00 C ATOM 943 CG PHE A 61 2.694 -7.124 3.222 1.00 0.00 C ATOM 944 CD1 PHE A 61 2.811 -6.757 1.889 1.00 0.00 C ATOM 945 CD2 PHE A 61 1.759 -6.472 4.010 1.00 0.00 C ATOM 946 CE1 PHE A 61 2.015 -5.760 1.357 1.00 0.00 C ATOM 947 CE2 PHE A 61 0.958 -5.474 3.483 1.00 0.00 C ATOM 948 CZ PHE A 61 1.088 -5.119 2.154 1.00 0.00 C ATOM 0 H PHE A 61 2.556 -10.057 2.494 1.00 0.00 H new ATOM 0 HA PHE A 61 4.748 -8.310 2.037 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.949 -8.881 4.394 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.277 -7.742 4.501 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.533 -7.256 1.260 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.654 -6.746 5.049 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.118 -5.483 0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.233 -4.974 4.109 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.465 -4.341 1.739 1.00 0.00 H new ATOM 958 N GLN A 62 5.183 -10.928 3.975 1.00 0.00 N ATOM 959 CA GLN A 62 6.199 -11.787 4.553 1.00 0.00 C ATOM 960 C GLN A 62 7.144 -12.265 3.462 1.00 0.00 C ATOM 961 O GLN A 62 8.352 -12.346 3.662 1.00 0.00 O ATOM 962 CB GLN A 62 5.557 -12.990 5.251 1.00 0.00 C ATOM 963 CG GLN A 62 4.659 -12.636 6.432 1.00 0.00 C ATOM 964 CD GLN A 62 5.415 -12.174 7.672 1.00 0.00 C ATOM 965 OE1 GLN A 62 4.966 -12.395 8.798 1.00 0.00 O ATOM 966 NE2 GLN A 62 6.552 -11.522 7.484 1.00 0.00 N ATOM 0 H GLN A 62 4.235 -11.300 4.027 1.00 0.00 H new ATOM 0 HA GLN A 62 6.758 -11.217 5.295 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.971 -13.547 4.520 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.347 -13.655 5.599 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.968 -11.850 6.127 1.00 0.00 H new ATOM 0 HG3 GLN A 62 4.057 -13.507 6.690 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.895 -11.356 6.538 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.085 -11.185 8.286 1.00 0.00 H new ATOM 975 N GLN A 63 6.573 -12.562 2.299 1.00 0.00 N ATOM 976 CA GLN A 63 7.338 -13.042 1.157 1.00 0.00 C ATOM 977 C GLN A 63 8.413 -12.044 0.740 1.00 0.00 C ATOM 978 O GLN A 63 9.578 -12.408 0.619 1.00 0.00 O ATOM 979 CB GLN A 63 6.419 -13.326 -0.025 1.00 0.00 C ATOM 980 CG GLN A 63 5.486 -14.494 0.209 1.00 0.00 C ATOM 981 CD GLN A 63 6.219 -15.793 0.461 1.00 0.00 C ATOM 982 OE1 GLN A 63 7.328 -16.002 -0.029 1.00 0.00 O ATOM 983 NE2 GLN A 63 5.599 -16.673 1.227 1.00 0.00 N ATOM 0 H GLN A 63 5.572 -12.477 2.123 1.00 0.00 H new ATOM 0 HA GLN A 63 7.828 -13.966 1.464 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.828 -12.435 -0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.026 -13.526 -0.908 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.844 -14.274 1.062 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.836 -14.612 -0.658 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.680 -16.456 1.612 1.00 0.00 H new ATOM 0 HE22 GLN A 63 6.040 -17.569 1.434 1.00 0.00 H new ATOM 992 N VAL A 64 8.027 -10.789 0.531 1.00 0.00 N ATOM 993 CA VAL A 64 8.978 -9.777 0.078 1.00 0.00 C ATOM 994 C VAL A 64 10.044 -9.508 1.140 1.00 0.00 C ATOM 995 O VAL A 64 11.181 -9.174 0.814 1.00 0.00 O ATOM 996 CB VAL A 64 8.286 -8.454 -0.333 1.00 0.00 C ATOM 997 CG1 VAL A 64 7.612 -7.770 0.847 1.00 0.00 C ATOM 998 CG2 VAL A 64 9.288 -7.519 -0.993 1.00 0.00 C ATOM 0 H VAL A 64 7.074 -10.450 0.666 1.00 0.00 H new ATOM 0 HA VAL A 64 9.460 -10.183 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 64 7.503 -8.702 -1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.140 -6.847 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.855 -8.432 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.357 -7.541 1.609 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.789 -6.593 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.094 -7.297 -0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.700 -7.996 -1.882 1.00 0.00 H new ATOM 1008 N VAL A 65 9.682 -9.683 2.407 1.00 0.00 N ATOM 1009 CA VAL A 65 10.639 -9.528 3.505 1.00 0.00 C ATOM 1010 C VAL A 65 11.659 -10.668 3.476 1.00 0.00 C ATOM 1011 O VAL A 65 12.803 -10.515 3.904 1.00 0.00 O ATOM 1012 CB VAL A 65 9.933 -9.482 4.884 1.00 0.00 C ATOM 1013 CG1 VAL A 65 10.941 -9.453 6.024 1.00 0.00 C ATOM 1014 CG2 VAL A 65 9.019 -8.272 4.973 1.00 0.00 C ATOM 0 H VAL A 65 8.738 -9.931 2.702 1.00 0.00 H new ATOM 0 HA VAL A 65 11.151 -8.576 3.365 1.00 0.00 H new ATOM 0 HB VAL A 65 9.337 -10.390 4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.412 -9.421 6.977 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.562 -10.348 5.984 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.572 -8.569 5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.531 -8.255 5.948 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.606 -7.362 4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.263 -8.329 4.190 1.00 0.00 H new ATOM 1024 N LYS A 66 11.229 -11.806 2.957 1.00 0.00 N ATOM 1025 CA LYS A 66 12.105 -12.955 2.778 1.00 0.00 C ATOM 1026 C LYS A 66 12.907 -12.814 1.488 1.00 0.00 C ATOM 1027 O LYS A 66 14.051 -13.263 1.398 1.00 0.00 O ATOM 1028 CB LYS A 66 11.277 -14.239 2.745 1.00 0.00 C ATOM 1029 CG LYS A 66 10.545 -14.516 4.047 1.00 0.00 C ATOM 1030 CD LYS A 66 9.459 -15.562 3.867 1.00 0.00 C ATOM 1031 CE LYS A 66 8.734 -15.821 5.175 1.00 0.00 C ATOM 1032 NZ LYS A 66 7.565 -16.725 5.009 1.00 0.00 N ATOM 0 H LYS A 66 10.269 -11.961 2.649 1.00 0.00 H new ATOM 0 HA LYS A 66 12.801 -13.002 3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.551 -14.174 1.935 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.932 -15.080 2.519 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.256 -14.855 4.800 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.103 -13.592 4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.747 -15.227 3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.899 -16.490 3.501 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.429 -16.259 5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.399 -14.873 5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.105 -16.870 5.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.887 -16.297 4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.885 -17.641 4.634 1.00 0.00 H new ATOM 1046 N LEU A 67 12.291 -12.188 0.492 1.00 0.00 N ATOM 1047 CA LEU A 67 12.937 -11.948 -0.791 1.00 0.00 C ATOM 1048 C LEU A 67 14.031 -10.893 -0.658 1.00 0.00 C ATOM 1049 O LEU A 67 15.176 -11.129 -1.050 1.00 0.00 O ATOM 1050 CB LEU A 67 11.899 -11.505 -1.832 1.00 0.00 C ATOM 1051 CG LEU A 67 10.833 -12.551 -2.164 1.00 0.00 C ATOM 1052 CD1 LEU A 67 9.852 -12.005 -3.185 1.00 0.00 C ATOM 1053 CD2 LEU A 67 11.478 -13.829 -2.677 1.00 0.00 C ATOM 0 H LEU A 67 11.336 -11.835 0.551 1.00 0.00 H new ATOM 0 HA LEU A 67 13.397 -12.879 -1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.403 -10.605 -1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.420 -11.234 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 67 10.286 -12.785 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.101 -12.762 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.364 -11.118 -2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.386 -11.742 -4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.703 -14.560 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.051 -13.611 -3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.143 -14.233 -1.913 1.00 0.00 H new ATOM 1065 N LYS A 68 13.664 -9.748 -0.088 1.00 0.00 N ATOM 1066 CA LYS A 68 14.587 -8.634 0.130 1.00 0.00 C ATOM 1067 C LYS A 68 15.230 -8.157 -1.167 1.00 0.00 C ATOM 1068 O LYS A 68 16.260 -8.674 -1.608 1.00 0.00 O ATOM 1069 CB LYS A 68 15.655 -9.005 1.157 1.00 0.00 C ATOM 1070 CG LYS A 68 15.122 -9.029 2.575 1.00 0.00 C ATOM 1071 CD LYS A 68 16.171 -9.478 3.574 1.00 0.00 C ATOM 1072 CE LYS A 68 15.654 -9.357 4.996 1.00 0.00 C ATOM 1073 NZ LYS A 68 16.629 -9.882 5.989 1.00 0.00 N ATOM 0 H LYS A 68 12.715 -9.565 0.237 1.00 0.00 H new ATOM 0 HA LYS A 68 13.999 -7.805 0.523 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.065 -9.985 0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.476 -8.291 1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.768 -8.034 2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.263 -9.698 2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.452 -10.512 3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.071 -8.874 3.458 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.440 -8.311 5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.714 -9.901 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.237 -9.781 6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.815 -10.887 5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.518 -9.346 5.920 1.00 0.00 H new ATOM 1087 N GLY A 69 14.612 -7.158 -1.771 1.00 0.00 N ATOM 1088 CA GLY A 69 15.140 -6.591 -2.992 1.00 0.00 C ATOM 1089 C GLY A 69 14.265 -6.889 -4.187 1.00 0.00 C ATOM 1090 O GLY A 69 14.277 -6.154 -5.172 1.00 0.00 O ATOM 0 H GLY A 69 13.750 -6.727 -1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.238 -5.512 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.141 -6.985 -3.170 1.00 0.00 H new ATOM 1094 N GLN A 70 13.492 -7.959 -4.092 1.00 0.00 N ATOM 1095 CA GLN A 70 12.637 -8.373 -5.185 1.00 0.00 C ATOM 1096 C GLN A 70 11.304 -7.645 -5.114 1.00 0.00 C ATOM 1097 O GLN A 70 10.661 -7.614 -4.065 1.00 0.00 O ATOM 1098 CB GLN A 70 12.416 -9.886 -5.145 1.00 0.00 C ATOM 1099 CG GLN A 70 11.521 -10.396 -6.262 1.00 0.00 C ATOM 1100 CD GLN A 70 12.099 -10.131 -7.637 1.00 0.00 C ATOM 1101 OE1 GLN A 70 11.860 -9.082 -8.235 1.00 0.00 O ATOM 1102 NE2 GLN A 70 12.862 -11.081 -8.152 1.00 0.00 N ATOM 0 H GLN A 70 13.441 -8.555 -3.266 1.00 0.00 H new ATOM 0 HA GLN A 70 13.126 -8.118 -6.125 1.00 0.00 H new ATOM 0 HB2 GLN A 70 13.382 -10.388 -5.205 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.976 -10.156 -4.185 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.365 -11.468 -6.138 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.543 -9.921 -6.185 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.037 -11.937 -7.625 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.276 -10.958 -9.076 1.00 0.00 H new ATOM 1111 N VAL A 71 10.905 -7.052 -6.229 1.00 0.00 N ATOM 1112 CA VAL A 71 9.626 -6.371 -6.309 1.00 0.00 C ATOM 1113 C VAL A 71 8.509 -7.395 -6.462 1.00 0.00 C ATOM 1114 O VAL A 71 8.383 -8.050 -7.501 1.00 0.00 O ATOM 1115 CB VAL A 71 9.589 -5.374 -7.484 1.00 0.00 C ATOM 1116 CG1 VAL A 71 8.266 -4.628 -7.522 1.00 0.00 C ATOM 1117 CG2 VAL A 71 10.754 -4.400 -7.394 1.00 0.00 C ATOM 0 H VAL A 71 11.451 -7.030 -7.091 1.00 0.00 H new ATOM 0 HA VAL A 71 9.485 -5.806 -5.387 1.00 0.00 H new ATOM 0 HB VAL A 71 9.683 -5.938 -8.412 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.265 -3.931 -8.360 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.450 -5.340 -7.642 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.132 -4.077 -6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.712 -3.704 -8.232 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.693 -3.845 -6.458 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.693 -4.952 -7.428 1.00 0.00 H new ATOM 1127 N LEU A 72 7.703 -7.526 -5.426 1.00 0.00 N ATOM 1128 CA LEU A 72 6.688 -8.563 -5.380 1.00 0.00 C ATOM 1129 C LEU A 72 5.320 -7.987 -5.718 1.00 0.00 C ATOM 1130 O LEU A 72 4.910 -6.979 -5.151 1.00 0.00 O ATOM 1131 CB LEU A 72 6.649 -9.207 -3.992 1.00 0.00 C ATOM 1132 CG LEU A 72 5.973 -10.574 -3.947 1.00 0.00 C ATOM 1133 CD1 LEU A 72 6.754 -11.571 -4.788 1.00 0.00 C ATOM 1134 CD2 LEU A 72 5.851 -11.062 -2.518 1.00 0.00 C ATOM 0 H LEU A 72 7.731 -6.926 -4.602 1.00 0.00 H new ATOM 0 HA LEU A 72 6.942 -9.323 -6.119 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.670 -9.308 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.129 -8.536 -3.309 1.00 0.00 H new ATOM 0 HG LEU A 72 4.969 -10.480 -4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.263 -12.543 -4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.792 -11.225 -5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.768 -11.661 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.366 -12.038 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.844 -11.145 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.255 -10.355 -1.942 1.00 0.00 H new ATOM 1146 N SER A 73 4.618 -8.621 -6.641 1.00 0.00 N ATOM 1147 CA SER A 73 3.292 -8.169 -7.027 1.00 0.00 C ATOM 1148 C SER A 73 2.230 -8.839 -6.163 1.00 0.00 C ATOM 1149 O SER A 73 2.142 -10.065 -6.111 1.00 0.00 O ATOM 1150 CB SER A 73 3.039 -8.505 -8.496 1.00 0.00 C ATOM 1151 OG SER A 73 4.053 -7.970 -9.333 1.00 0.00 O ATOM 0 H SER A 73 4.944 -9.450 -7.137 1.00 0.00 H new ATOM 0 HA SER A 73 3.236 -7.090 -6.884 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.996 -9.587 -8.621 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.069 -8.110 -8.799 1.00 0.00 H new ATOM 0 HG SER A 73 4.602 -8.700 -9.689 1.00 0.00 H new ATOM 1157 N VAL A 74 1.437 -8.038 -5.474 1.00 0.00 N ATOM 1158 CA VAL A 74 0.318 -8.559 -4.709 1.00 0.00 C ATOM 1159 C VAL A 74 -0.943 -7.799 -5.050 1.00 0.00 C ATOM 1160 O VAL A 74 -0.960 -6.570 -5.105 1.00 0.00 O ATOM 1161 CB VAL A 74 0.586 -8.528 -3.183 1.00 0.00 C ATOM 1162 CG1 VAL A 74 0.926 -7.121 -2.711 1.00 0.00 C ATOM 1163 CG2 VAL A 74 -0.605 -9.079 -2.413 1.00 0.00 C ATOM 0 H VAL A 74 1.547 -7.025 -5.428 1.00 0.00 H new ATOM 0 HA VAL A 74 0.188 -9.606 -4.985 1.00 0.00 H new ATOM 0 HB VAL A 74 1.448 -9.166 -2.985 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.109 -7.132 -1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.819 -6.770 -3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.094 -6.452 -2.931 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.394 -9.047 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.487 -8.475 -2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.789 -10.110 -2.716 1.00 0.00 H new ATOM 1173 N MET A 75 -1.988 -8.548 -5.314 1.00 0.00 N ATOM 1174 CA MET A 75 -3.223 -7.969 -5.765 1.00 0.00 C ATOM 1175 C MET A 75 -4.307 -8.163 -4.716 1.00 0.00 C ATOM 1176 O MET A 75 -4.499 -9.270 -4.210 1.00 0.00 O ATOM 1177 CB MET A 75 -3.634 -8.599 -7.089 1.00 0.00 C ATOM 1178 CG MET A 75 -4.423 -7.652 -7.955 1.00 0.00 C ATOM 1179 SD MET A 75 -5.230 -8.474 -9.342 1.00 0.00 S ATOM 1180 CE MET A 75 -6.055 -7.087 -10.119 1.00 0.00 C ATOM 0 H MET A 75 -2.003 -9.564 -5.222 1.00 0.00 H new ATOM 0 HA MET A 75 -3.084 -6.899 -5.917 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.743 -8.922 -7.627 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.229 -9.491 -6.895 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.177 -7.154 -7.346 1.00 0.00 H new ATOM 0 HG3 MET A 75 -3.758 -6.877 -8.336 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.815 -7.455 -10.808 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.527 -6.470 -9.355 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.326 -6.491 -10.668 1.00 0.00 H new ATOM 1190 N PHE A 76 -5.007 -7.090 -4.402 1.00 0.00 N ATOM 1191 CA PHE A 76 -6.004 -7.110 -3.342 1.00 0.00 C ATOM 1192 C PHE A 76 -6.970 -5.948 -3.517 1.00 0.00 C ATOM 1193 O PHE A 76 -6.825 -5.147 -4.446 1.00 0.00 O ATOM 1194 CB PHE A 76 -5.321 -7.021 -1.969 1.00 0.00 C ATOM 1195 CG PHE A 76 -4.780 -5.654 -1.645 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -3.704 -5.130 -2.343 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -5.356 -4.893 -0.640 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -3.215 -3.875 -2.044 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -4.869 -3.636 -0.338 1.00 0.00 C ATOM 1200 CZ PHE A 76 -3.798 -3.129 -1.042 1.00 0.00 C ATOM 0 H PHE A 76 -4.905 -6.188 -4.867 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.559 -8.047 -3.399 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.036 -7.310 -1.199 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.505 -7.742 -1.933 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.243 -5.710 -3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.195 -5.287 -0.086 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.376 -3.477 -2.595 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.326 -3.052 0.447 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.415 -2.146 -0.808 1.00 0.00 H new ATOM 1210 N ARG A 77 -7.952 -5.858 -2.631 1.00 0.00 N ATOM 1211 CA ARG A 77 -8.896 -4.755 -2.657 1.00 0.00 C ATOM 1212 C ARG A 77 -8.626 -3.777 -1.518 1.00 0.00 C ATOM 1213 O ARG A 77 -8.737 -4.130 -0.340 1.00 0.00 O ATOM 1214 CB ARG A 77 -10.330 -5.270 -2.582 1.00 0.00 C ATOM 1215 CG ARG A 77 -10.941 -5.577 -3.939 1.00 0.00 C ATOM 1216 CD ARG A 77 -12.354 -6.111 -3.799 1.00 0.00 C ATOM 1217 NE ARG A 77 -13.144 -5.910 -5.015 1.00 0.00 N ATOM 1218 CZ ARG A 77 -14.184 -6.669 -5.365 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -14.477 -7.762 -4.674 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -14.910 -6.355 -6.434 1.00 0.00 N ATOM 0 H ARG A 77 -8.114 -6.536 -1.887 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.765 -4.226 -3.601 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.351 -6.173 -1.971 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.947 -4.528 -2.075 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.950 -4.674 -4.549 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.324 -6.308 -4.461 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.317 -7.175 -3.563 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.846 -5.616 -2.962 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.883 -5.142 -5.633 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.906 -8.026 -3.871 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.273 -8.339 -4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.672 -5.532 -6.988 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.705 -6.937 -6.700 1.00 0.00 H new ATOM 1234 N PHE A 78 -8.280 -2.549 -1.888 1.00 0.00 N ATOM 1235 CA PHE A 78 -7.983 -1.486 -0.934 1.00 0.00 C ATOM 1236 C PHE A 78 -9.260 -0.700 -0.660 1.00 0.00 C ATOM 1237 O PHE A 78 -10.008 -0.387 -1.588 1.00 0.00 O ATOM 1238 CB PHE A 78 -6.920 -0.559 -1.541 1.00 0.00 C ATOM 1239 CG PHE A 78 -6.170 0.320 -0.575 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -6.761 1.435 0.005 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -4.842 0.047 -0.285 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -6.038 2.253 0.857 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -4.121 0.857 0.565 1.00 0.00 C ATOM 1244 CZ PHE A 78 -4.715 1.962 1.136 1.00 0.00 C ATOM 0 H PHE A 78 -8.197 -2.261 -2.863 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.608 -1.906 -0.000 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.196 -1.173 -2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.405 0.080 -2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.794 1.666 -0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.366 -0.813 -0.732 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.507 3.118 1.303 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.089 0.626 0.784 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.149 2.599 1.799 1.00 0.00 H new ATOM 1254 N ARG A 79 -9.534 -0.406 0.596 1.00 0.00 N ATOM 1255 CA ARG A 79 -10.705 0.383 0.934 1.00 0.00 C ATOM 1256 C ARG A 79 -10.444 1.858 0.659 1.00 0.00 C ATOM 1257 O ARG A 79 -9.656 2.488 1.350 1.00 0.00 O ATOM 1258 CB ARG A 79 -11.084 0.206 2.398 1.00 0.00 C ATOM 1259 CG ARG A 79 -12.546 0.514 2.671 1.00 0.00 C ATOM 1260 CD ARG A 79 -12.776 0.913 4.113 1.00 0.00 C ATOM 1261 NE ARG A 79 -12.090 0.028 5.062 1.00 0.00 N ATOM 1262 CZ ARG A 79 -12.617 -0.366 6.222 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -13.849 -0.005 6.551 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -11.910 -1.135 7.044 1.00 0.00 N ATOM 0 H ARG A 79 -8.969 -0.698 1.393 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.530 0.033 0.314 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.871 -0.819 2.702 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.460 0.857 3.011 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.877 1.318 2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.152 -0.361 2.435 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.431 1.936 4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.846 0.904 4.322 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.157 -0.305 4.820 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.397 0.576 5.916 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.249 -0.308 7.439 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.966 -1.423 6.787 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.312 -1.437 7.932 1.00 0.00 H new ATOM 1278 N SER A 80 -11.090 2.387 -0.367 1.00 0.00 N ATOM 1279 CA SER A 80 -10.981 3.800 -0.695 1.00 0.00 C ATOM 1280 C SER A 80 -11.642 4.670 0.370 1.00 0.00 C ATOM 1281 O SER A 80 -12.239 4.169 1.323 1.00 0.00 O ATOM 1282 CB SER A 80 -11.632 4.078 -2.049 1.00 0.00 C ATOM 1283 OG SER A 80 -12.991 3.682 -2.045 1.00 0.00 O ATOM 0 H SER A 80 -11.699 1.856 -0.990 1.00 0.00 H new ATOM 0 HA SER A 80 -9.921 4.049 -0.737 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.559 5.140 -2.281 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.095 3.543 -2.832 1.00 0.00 H new ATOM 0 HG SER A 80 -13.047 2.705 -2.002 1.00 0.00 H new ATOM 1289 N LYS A 81 -11.570 5.979 0.168 1.00 0.00 N ATOM 1290 CA LYS A 81 -12.145 6.945 1.101 1.00 0.00 C ATOM 1291 C LYS A 81 -13.667 6.980 0.951 1.00 0.00 C ATOM 1292 O LYS A 81 -14.361 7.748 1.617 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.555 8.339 0.840 1.00 0.00 C ATOM 1294 CG LYS A 81 -11.899 9.374 1.907 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.296 9.013 3.256 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.819 9.919 4.361 1.00 0.00 C ATOM 1297 NZ LYS A 81 -11.268 9.557 5.695 1.00 0.00 N ATOM 0 H LYS A 81 -11.115 6.401 -0.641 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.901 6.643 2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.471 8.255 0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.912 8.697 -0.126 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.534 10.353 1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.982 9.453 2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.529 7.975 3.494 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.210 9.092 3.203 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.562 10.953 4.132 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.907 9.861 4.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.775 10.084 6.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.386 8.536 5.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.257 9.798 5.730 1.00 0.00 H new ATOM 1311 N ASN A 82 -14.179 6.136 0.067 1.00 0.00 N ATOM 1312 CA ASN A 82 -15.610 6.041 -0.171 1.00 0.00 C ATOM 1313 C ASN A 82 -16.121 4.730 0.404 1.00 0.00 C ATOM 1314 O ASN A 82 -17.260 4.327 0.168 1.00 0.00 O ATOM 1315 CB ASN A 82 -15.909 6.116 -1.668 1.00 0.00 C ATOM 1316 CG ASN A 82 -15.159 7.242 -2.349 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -15.606 8.389 -2.365 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.014 6.917 -2.934 1.00 0.00 N ATOM 0 H ASN A 82 -13.618 5.502 -0.502 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.115 6.875 0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.642 5.169 -2.137 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -16.980 6.254 -1.816 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -13.469 7.629 -3.420 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.678 5.955 -2.898 1.00 0.00 H new ATOM 1325 N GLN A 83 -15.229 4.064 1.141 1.00 0.00 N ATOM 1326 CA GLN A 83 -15.523 2.814 1.836 1.00 0.00 C ATOM 1327 C GLN A 83 -15.757 1.657 0.865 1.00 0.00 C ATOM 1328 O GLN A 83 -16.223 0.589 1.264 1.00 0.00 O ATOM 1329 CB GLN A 83 -16.713 2.962 2.791 1.00 0.00 C ATOM 1330 CG GLN A 83 -16.402 3.742 4.066 1.00 0.00 C ATOM 1331 CD GLN A 83 -16.254 5.236 3.838 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -17.233 5.981 3.877 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -15.026 5.694 3.632 1.00 0.00 N ATOM 0 H GLN A 83 -14.270 4.384 1.272 1.00 0.00 H new ATOM 0 HA GLN A 83 -14.640 2.577 2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.527 3.460 2.264 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -17.070 1.969 3.064 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.197 3.570 4.792 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.482 3.356 4.504 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -14.238 5.047 3.606 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -14.870 6.693 3.500 1.00 0.00 H new ATOM 1342 N GLU A 84 -15.435 1.861 -0.408 1.00 0.00 N ATOM 1343 CA GLU A 84 -15.512 0.789 -1.372 1.00 0.00 C ATOM 1344 C GLU A 84 -14.125 0.228 -1.635 1.00 0.00 C ATOM 1345 O GLU A 84 -13.130 0.949 -1.553 1.00 0.00 O ATOM 1346 CB GLU A 84 -16.168 1.262 -2.666 1.00 0.00 C ATOM 1347 CG GLU A 84 -15.366 2.289 -3.442 1.00 0.00 C ATOM 1348 CD GLU A 84 -15.973 2.583 -4.797 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -15.710 1.819 -5.747 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -16.727 3.571 -4.917 1.00 0.00 O ATOM 0 H GLU A 84 -15.121 2.755 -0.786 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.136 -0.005 -0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -16.343 0.397 -3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.144 1.686 -2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.305 3.212 -2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.346 1.927 -3.573 1.00 0.00 H new ATOM 1357 N TRP A 85 -14.062 -1.052 -1.957 1.00 0.00 N ATOM 1358 CA TRP A 85 -12.801 -1.765 -2.027 1.00 0.00 C ATOM 1359 C TRP A 85 -12.385 -1.960 -3.484 1.00 0.00 C ATOM 1360 O TRP A 85 -12.958 -2.790 -4.193 1.00 0.00 O ATOM 1361 CB TRP A 85 -12.949 -3.114 -1.318 1.00 0.00 C ATOM 1362 CG TRP A 85 -13.570 -3.002 0.049 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -14.895 -2.817 0.333 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -12.899 -3.063 1.313 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -15.081 -2.749 1.689 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -13.878 -2.904 2.312 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -11.572 -3.238 1.699 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -13.570 -2.913 3.668 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -11.270 -3.244 3.049 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -12.264 -3.086 4.017 1.00 0.00 C ATOM 0 H TRP A 85 -14.879 -1.623 -2.176 1.00 0.00 H new ATOM 0 HA TRP A 85 -12.023 -1.185 -1.531 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -13.559 -3.775 -1.934 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -11.967 -3.579 -1.227 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -15.680 -2.736 -0.404 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -15.976 -2.605 2.157 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -10.795 -3.366 0.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -14.338 -2.787 4.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.244 -3.374 3.361 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -11.993 -3.101 5.062 1.00 0.00 H new ATOM 1381 N LEU A 86 -11.399 -1.189 -3.922 1.00 0.00 N ATOM 1382 CA LEU A 86 -10.983 -1.192 -5.320 1.00 0.00 C ATOM 1383 C LEU A 86 -9.852 -2.195 -5.542 1.00 0.00 C ATOM 1384 O LEU A 86 -9.183 -2.602 -4.597 1.00 0.00 O ATOM 1385 CB LEU A 86 -10.527 0.212 -5.757 1.00 0.00 C ATOM 1386 CG LEU A 86 -10.988 1.377 -4.868 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.935 1.696 -3.820 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -11.296 2.606 -5.700 1.00 0.00 C ATOM 0 H LEU A 86 -10.870 -0.551 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.841 -1.486 -5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.438 0.222 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -10.887 0.390 -6.770 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.903 1.073 -4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.278 2.524 -3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.767 0.819 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.004 1.974 -4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.620 3.416 -5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.401 2.913 -6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.089 2.374 -6.411 1.00 0.00 H new ATOM 1400 N TRP A 87 -9.654 -2.593 -6.793 1.00 0.00 N ATOM 1401 CA TRP A 87 -8.596 -3.529 -7.153 1.00 0.00 C ATOM 1402 C TRP A 87 -7.300 -2.795 -7.461 1.00 0.00 C ATOM 1403 O TRP A 87 -7.239 -1.983 -8.392 1.00 0.00 O ATOM 1404 CB TRP A 87 -8.993 -4.358 -8.377 1.00 0.00 C ATOM 1405 CG TRP A 87 -10.042 -5.388 -8.106 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -11.368 -5.318 -8.425 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -9.844 -6.653 -7.469 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -12.007 -6.468 -8.029 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -11.092 -7.302 -7.435 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -8.730 -7.301 -6.922 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -11.257 -8.568 -6.877 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -8.894 -8.555 -6.368 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -10.149 -9.178 -6.350 1.00 0.00 C ATOM 0 H TRP A 87 -10.219 -2.278 -7.582 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.445 -4.189 -6.299 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -9.353 -3.686 -9.156 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -8.105 -4.854 -8.769 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -11.844 -4.482 -8.916 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.999 -6.669 -8.156 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -7.759 -6.828 -6.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -12.223 -9.051 -6.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -8.042 -9.064 -5.942 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -10.245 -10.160 -5.911 1.00 0.00 H new ATOM 1424 N MET A 88 -6.275 -3.075 -6.680 1.00 0.00 N ATOM 1425 CA MET A 88 -4.954 -2.528 -6.934 1.00 0.00 C ATOM 1426 C MET A 88 -3.893 -3.611 -6.868 1.00 0.00 C ATOM 1427 O MET A 88 -4.004 -4.563 -6.094 1.00 0.00 O ATOM 1428 CB MET A 88 -4.602 -1.405 -5.953 1.00 0.00 C ATOM 1429 CG MET A 88 -5.359 -1.459 -4.639 1.00 0.00 C ATOM 1430 SD MET A 88 -6.948 -0.613 -4.747 1.00 0.00 S ATOM 1431 CE MET A 88 -6.407 1.068 -5.037 1.00 0.00 C ATOM 0 H MET A 88 -6.331 -3.680 -5.861 1.00 0.00 H new ATOM 0 HA MET A 88 -4.977 -2.109 -7.940 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.533 -1.444 -5.744 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.799 -0.446 -6.432 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.519 -2.499 -4.354 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.757 -1.003 -3.853 1.00 0.00 H new ATOM 0 HE1 MET A 88 -7.183 1.761 -4.712 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.493 1.258 -4.475 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.215 1.210 -6.101 1.00 0.00 H new ATOM 1441 N ARG A 89 -2.889 -3.469 -7.714 1.00 0.00 N ATOM 1442 CA ARG A 89 -1.735 -4.349 -7.697 1.00 0.00 C ATOM 1443 C ARG A 89 -0.568 -3.608 -7.066 1.00 0.00 C ATOM 1444 O ARG A 89 -0.051 -2.641 -7.631 1.00 0.00 O ATOM 1445 CB ARG A 89 -1.390 -4.798 -9.118 1.00 0.00 C ATOM 1446 CG ARG A 89 -0.202 -5.738 -9.206 1.00 0.00 C ATOM 1447 CD ARG A 89 0.058 -6.136 -10.649 1.00 0.00 C ATOM 1448 NE ARG A 89 1.299 -6.889 -10.804 1.00 0.00 N ATOM 1449 CZ ARG A 89 1.513 -7.778 -11.772 1.00 0.00 C ATOM 1450 NH1 ARG A 89 0.582 -8.011 -12.689 1.00 0.00 N ATOM 1451 NH2 ARG A 89 2.665 -8.433 -11.830 1.00 0.00 N ATOM 0 H ARG A 89 -2.850 -2.743 -8.430 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.956 -5.241 -7.111 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.260 -5.290 -9.552 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.186 -3.916 -9.725 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.683 -5.255 -8.791 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.390 -6.628 -8.606 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.776 -6.736 -11.013 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.100 -5.240 -11.268 1.00 0.00 H new ATOM 0 HE ARG A 89 2.047 -6.724 -10.130 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.304 -7.508 -12.655 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.753 -8.693 -13.428 1.00 0.00 H new ATOM 0 HH21 ARG A 89 3.388 -8.256 -11.133 1.00 0.00 H new ATOM 0 HH22 ARG A 89 2.828 -9.114 -12.572 1.00 0.00 H new ATOM 1465 N THR A 90 -0.192 -4.037 -5.880 1.00 0.00 N ATOM 1466 CA THR A 90 0.845 -3.375 -5.122 1.00 0.00 C ATOM 1467 C THR A 90 2.210 -4.020 -5.353 1.00 0.00 C ATOM 1468 O THR A 90 2.355 -5.244 -5.298 1.00 0.00 O ATOM 1469 CB THR A 90 0.499 -3.395 -3.622 1.00 0.00 C ATOM 1470 OG1 THR A 90 -0.779 -2.779 -3.420 1.00 0.00 O ATOM 1471 CG2 THR A 90 1.554 -2.671 -2.801 1.00 0.00 C ATOM 0 H THR A 90 -0.595 -4.851 -5.417 1.00 0.00 H new ATOM 0 HA THR A 90 0.901 -2.343 -5.467 1.00 0.00 H new ATOM 0 HB THR A 90 0.469 -4.433 -3.291 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.653 -1.869 -3.079 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.280 -2.703 -1.747 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.520 -3.157 -2.940 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.620 -1.633 -3.127 1.00 0.00 H new ATOM 1479 N SER A 91 3.195 -3.183 -5.632 1.00 0.00 N ATOM 1480 CA SER A 91 4.568 -3.623 -5.784 1.00 0.00 C ATOM 1481 C SER A 91 5.284 -3.541 -4.440 1.00 0.00 C ATOM 1482 O SER A 91 5.409 -2.460 -3.861 1.00 0.00 O ATOM 1483 CB SER A 91 5.277 -2.749 -6.818 1.00 0.00 C ATOM 1484 OG SER A 91 4.562 -2.735 -8.043 1.00 0.00 O ATOM 0 H SER A 91 3.063 -2.180 -5.759 1.00 0.00 H new ATOM 0 HA SER A 91 4.583 -4.657 -6.129 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.373 -1.732 -6.437 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.287 -3.123 -6.986 1.00 0.00 H new ATOM 0 HG SER A 91 5.032 -2.169 -8.690 1.00 0.00 H new ATOM 1490 N SER A 92 5.735 -4.682 -3.946 1.00 0.00 N ATOM 1491 CA SER A 92 6.380 -4.754 -2.646 1.00 0.00 C ATOM 1492 C SER A 92 7.892 -4.702 -2.792 1.00 0.00 C ATOM 1493 O SER A 92 8.472 -5.440 -3.588 1.00 0.00 O ATOM 1494 CB SER A 92 5.980 -6.047 -1.930 1.00 0.00 C ATOM 1495 OG SER A 92 4.578 -6.257 -2.010 1.00 0.00 O ATOM 0 H SER A 92 5.665 -5.577 -4.430 1.00 0.00 H new ATOM 0 HA SER A 92 6.054 -3.897 -2.057 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.504 -6.892 -2.376 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.286 -5.998 -0.885 1.00 0.00 H new ATOM 0 HG SER A 92 4.343 -6.558 -2.913 1.00 0.00 H new ATOM 1501 N PHE A 93 8.519 -3.820 -2.033 1.00 0.00 N ATOM 1502 CA PHE A 93 9.967 -3.734 -1.987 1.00 0.00 C ATOM 1503 C PHE A 93 10.421 -3.500 -0.555 1.00 0.00 C ATOM 1504 O PHE A 93 9.837 -2.703 0.165 1.00 0.00 O ATOM 1505 CB PHE A 93 10.456 -2.601 -2.895 1.00 0.00 C ATOM 1506 CG PHE A 93 11.942 -2.361 -2.834 1.00 0.00 C ATOM 1507 CD1 PHE A 93 12.814 -3.137 -3.583 1.00 0.00 C ATOM 1508 CD2 PHE A 93 12.465 -1.360 -2.026 1.00 0.00 C ATOM 1509 CE1 PHE A 93 14.179 -2.919 -3.525 1.00 0.00 C ATOM 1510 CE2 PHE A 93 13.828 -1.139 -1.966 1.00 0.00 C ATOM 1511 CZ PHE A 93 14.685 -1.920 -2.715 1.00 0.00 C ATOM 0 H PHE A 93 8.041 -3.147 -1.434 1.00 0.00 H new ATOM 0 HA PHE A 93 10.394 -4.671 -2.344 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.178 -2.829 -3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.939 -1.681 -2.621 1.00 0.00 H new ATOM 0 HD1 PHE A 93 12.424 -3.919 -4.218 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.799 -0.747 -1.437 1.00 0.00 H new ATOM 0 HE1 PHE A 93 14.849 -3.529 -4.112 1.00 0.00 H new ATOM 0 HE2 PHE A 93 14.222 -0.357 -1.334 1.00 0.00 H new ATOM 0 HZ PHE A 93 15.751 -1.750 -2.668 1.00 0.00 H new ATOM 1521 N THR A 94 11.445 -4.214 -0.137 1.00 0.00 N ATOM 1522 CA THR A 94 12.027 -4.006 1.174 1.00 0.00 C ATOM 1523 C THR A 94 13.344 -3.259 1.029 1.00 0.00 C ATOM 1524 O THR A 94 14.323 -3.815 0.526 1.00 0.00 O ATOM 1525 CB THR A 94 12.263 -5.347 1.883 1.00 0.00 C ATOM 1526 OG1 THR A 94 13.026 -6.208 1.031 1.00 0.00 O ATOM 1527 CG2 THR A 94 10.942 -6.009 2.246 1.00 0.00 C ATOM 0 H THR A 94 11.893 -4.946 -0.688 1.00 0.00 H new ATOM 0 HA THR A 94 11.335 -3.417 1.776 1.00 0.00 H new ATOM 0 HB THR A 94 12.814 -5.163 2.805 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.718 -5.686 0.574 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.136 -6.957 2.747 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.378 -5.355 2.912 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.364 -6.189 1.340 1.00 0.00 H new ATOM 1535 N PHE A 95 13.369 -1.997 1.442 1.00 0.00 N ATOM 1536 CA PHE A 95 14.537 -1.163 1.214 1.00 0.00 C ATOM 1537 C PHE A 95 15.674 -1.564 2.136 1.00 0.00 C ATOM 1538 O PHE A 95 15.648 -1.280 3.333 1.00 0.00 O ATOM 1539 CB PHE A 95 14.210 0.321 1.400 1.00 0.00 C ATOM 1540 CG PHE A 95 15.166 1.233 0.676 1.00 0.00 C ATOM 1541 CD1 PHE A 95 16.486 1.349 1.081 1.00 0.00 C ATOM 1542 CD2 PHE A 95 14.743 1.962 -0.419 1.00 0.00 C ATOM 1543 CE1 PHE A 95 17.363 2.176 0.406 1.00 0.00 C ATOM 1544 CE2 PHE A 95 15.611 2.792 -1.096 1.00 0.00 C ATOM 1545 CZ PHE A 95 16.924 2.899 -0.685 1.00 0.00 C ATOM 0 H PHE A 95 12.602 -1.535 1.931 1.00 0.00 H new ATOM 0 HA PHE A 95 14.850 -1.316 0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 95 13.197 0.511 1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 95 14.225 0.560 2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 95 16.834 0.786 1.935 1.00 0.00 H new ATOM 0 HD2 PHE A 95 13.718 1.880 -0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 95 18.390 2.257 0.731 1.00 0.00 H new ATOM 0 HE2 PHE A 95 15.264 3.358 -1.948 1.00 0.00 H new ATOM 0 HZ PHE A 95 17.606 3.547 -1.215 1.00 0.00 H new ATOM 1555 N GLN A 96 16.660 -2.240 1.574 1.00 0.00 N ATOM 1556 CA GLN A 96 17.855 -2.593 2.313 1.00 0.00 C ATOM 1557 C GLN A 96 18.909 -1.520 2.147 1.00 0.00 C ATOM 1558 O GLN A 96 19.192 -1.093 1.028 1.00 0.00 O ATOM 1559 CB GLN A 96 18.430 -3.922 1.830 1.00 0.00 C ATOM 1560 CG GLN A 96 17.522 -5.109 2.063 1.00 0.00 C ATOM 1561 CD GLN A 96 18.153 -6.410 1.614 1.00 0.00 C ATOM 1562 OE1 GLN A 96 18.018 -6.812 0.458 1.00 0.00 O ATOM 1563 NE2 GLN A 96 18.849 -7.074 2.524 1.00 0.00 N ATOM 0 H GLN A 96 16.655 -2.556 0.604 1.00 0.00 H new ATOM 0 HA GLN A 96 17.577 -2.685 3.363 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.645 -3.847 0.764 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.379 -4.100 2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.276 -5.173 3.123 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.585 -4.958 1.527 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.935 -6.704 3.471 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.299 -7.956 2.278 1.00 0.00 H new ATOM 1659 N ILE A 103 16.703 -3.590 6.652 1.00 0.00 N ATOM 1660 CA ILE A 103 15.512 -3.024 6.036 1.00 0.00 C ATOM 1661 C ILE A 103 15.168 -1.702 6.704 1.00 0.00 C ATOM 1662 O ILE A 103 14.809 -1.675 7.884 1.00 0.00 O ATOM 1663 CB ILE A 103 14.296 -3.964 6.178 1.00 0.00 C ATOM 1664 CG1 ILE A 103 14.644 -5.373 5.701 1.00 0.00 C ATOM 1665 CG2 ILE A 103 13.103 -3.418 5.407 1.00 0.00 C ATOM 1666 CD1 ILE A 103 15.015 -5.453 4.239 1.00 0.00 C ATOM 0 HA ILE A 103 15.729 -2.881 4.977 1.00 0.00 H new ATOM 0 HB ILE A 103 14.028 -4.017 7.233 1.00 0.00 H new ATOM 0 HG12 ILE A 103 15.474 -5.753 6.297 1.00 0.00 H new ATOM 0 HG13 ILE A 103 13.793 -6.028 5.886 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.256 -4.095 5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.837 -2.436 5.797 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.361 -3.332 4.351 1.00 0.00 H new ATOM 0 HD11 ILE A 103 15.248 -6.485 3.979 1.00 0.00 H new ATOM 0 HD12 ILE A 103 14.179 -5.106 3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 103 15.886 -4.826 4.050 1.00 0.00 H new ATOM 1678 N GLU A 104 15.288 -0.609 5.959 1.00 0.00 N ATOM 1679 CA GLU A 104 14.908 0.699 6.474 1.00 0.00 C ATOM 1680 C GLU A 104 13.402 0.730 6.683 1.00 0.00 C ATOM 1681 O GLU A 104 12.901 1.217 7.696 1.00 0.00 O ATOM 1682 CB GLU A 104 15.299 1.816 5.504 1.00 0.00 C ATOM 1683 CG GLU A 104 16.707 1.708 4.968 1.00 0.00 C ATOM 1684 CD GLU A 104 17.189 2.997 4.325 1.00 0.00 C ATOM 1685 OE1 GLU A 104 16.445 3.580 3.507 1.00 0.00 O ATOM 1686 OE2 GLU A 104 18.319 3.436 4.627 1.00 0.00 O ATOM 0 H GLU A 104 15.643 -0.603 5.003 1.00 0.00 H new ATOM 0 HA GLU A 104 15.433 0.863 7.415 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.602 1.814 4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.187 2.776 6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.381 1.438 5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.752 0.902 4.235 1.00 0.00 H new ATOM 1693 N TYR A 105 12.699 0.190 5.694 1.00 0.00 N ATOM 1694 CA TYR A 105 11.242 0.141 5.683 1.00 0.00 C ATOM 1695 C TYR A 105 10.767 -0.588 4.434 1.00 0.00 C ATOM 1696 O TYR A 105 11.577 -0.991 3.596 1.00 0.00 O ATOM 1697 CB TYR A 105 10.643 1.559 5.721 1.00 0.00 C ATOM 1698 CG TYR A 105 11.293 2.545 4.768 1.00 0.00 C ATOM 1699 CD1 TYR A 105 11.162 2.415 3.389 1.00 0.00 C ATOM 1700 CD2 TYR A 105 12.038 3.609 5.255 1.00 0.00 C ATOM 1701 CE1 TYR A 105 11.762 3.316 2.530 1.00 0.00 C ATOM 1702 CE2 TYR A 105 12.640 4.512 4.402 1.00 0.00 C ATOM 1703 CZ TYR A 105 12.497 4.362 3.040 1.00 0.00 C ATOM 1704 OH TYR A 105 13.100 5.260 2.186 1.00 0.00 O ATOM 0 H TYR A 105 13.129 -0.230 4.870 1.00 0.00 H new ATOM 0 HA TYR A 105 10.906 -0.395 6.571 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.580 1.496 5.489 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.725 1.947 6.736 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.583 1.598 2.984 1.00 0.00 H new ATOM 0 HD2 TYR A 105 12.149 3.733 6.322 1.00 0.00 H new ATOM 0 HE1 TYR A 105 11.655 3.200 1.462 1.00 0.00 H new ATOM 0 HE2 TYR A 105 13.220 5.332 4.800 1.00 0.00 H new ATOM 0 HH TYR A 105 13.579 5.937 2.708 1.00 0.00 H new ATOM 1714 N ILE A 106 9.461 -0.752 4.310 1.00 0.00 N ATOM 1715 CA ILE A 106 8.886 -1.370 3.131 1.00 0.00 C ATOM 1716 C ILE A 106 8.320 -0.292 2.215 1.00 0.00 C ATOM 1717 O ILE A 106 7.761 0.700 2.687 1.00 0.00 O ATOM 1718 CB ILE A 106 7.761 -2.367 3.496 1.00 0.00 C ATOM 1719 CG1 ILE A 106 8.265 -3.411 4.492 1.00 0.00 C ATOM 1720 CG2 ILE A 106 7.219 -3.049 2.246 1.00 0.00 C ATOM 1721 CD1 ILE A 106 7.192 -4.378 4.942 1.00 0.00 C ATOM 0 H ILE A 106 8.780 -0.465 5.013 1.00 0.00 H new ATOM 0 HA ILE A 106 9.678 -1.922 2.626 1.00 0.00 H new ATOM 0 HB ILE A 106 6.952 -1.806 3.963 1.00 0.00 H new ATOM 0 HG12 ILE A 106 9.082 -3.972 4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.675 -2.902 5.365 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.429 -3.746 2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.816 -2.297 1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.023 -3.592 1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.618 -5.091 5.648 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.385 -3.827 5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.799 -4.913 4.078 1.00 0.00 H new ATOM 1733 N ILE A 107 8.443 -0.501 0.917 1.00 0.00 N ATOM 1734 CA ILE A 107 7.964 0.441 -0.067 1.00 0.00 C ATOM 1735 C ILE A 107 6.925 -0.244 -0.934 1.00 0.00 C ATOM 1736 O ILE A 107 7.233 -1.182 -1.669 1.00 0.00 O ATOM 1737 CB ILE A 107 9.106 0.967 -0.961 1.00 0.00 C ATOM 1738 CG1 ILE A 107 10.112 1.762 -0.130 1.00 0.00 C ATOM 1739 CG2 ILE A 107 8.551 1.823 -2.093 1.00 0.00 C ATOM 1740 CD1 ILE A 107 11.259 2.323 -0.941 1.00 0.00 C ATOM 0 H ILE A 107 8.880 -1.332 0.519 1.00 0.00 H new ATOM 0 HA ILE A 107 7.532 1.293 0.458 1.00 0.00 H new ATOM 0 HB ILE A 107 9.621 0.112 -1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.593 2.582 0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 107 10.513 1.119 0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.372 2.184 -2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.873 1.225 -2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.010 2.672 -1.675 1.00 0.00 H new ATOM 0 HD11 ILE A 107 11.933 2.875 -0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 107 11.803 1.506 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 107 10.869 2.993 -1.707 1.00 0.00 H new ATOM 1752 N CYS A 108 5.695 0.200 -0.818 1.00 0.00 N ATOM 1753 CA CYS A 108 4.610 -0.378 -1.576 1.00 0.00 C ATOM 1754 C CYS A 108 4.049 0.633 -2.564 1.00 0.00 C ATOM 1755 O CYS A 108 3.476 1.654 -2.173 1.00 0.00 O ATOM 1756 CB CYS A 108 3.516 -0.882 -0.635 1.00 0.00 C ATOM 1757 SG CYS A 108 4.013 -2.304 0.368 1.00 0.00 S ATOM 0 H CYS A 108 5.420 0.965 -0.202 1.00 0.00 H new ATOM 0 HA CYS A 108 4.995 -1.226 -2.142 1.00 0.00 H new ATOM 0 HB2 CYS A 108 3.216 -0.069 0.027 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.640 -1.153 -1.224 1.00 0.00 H new ATOM 0 HG CYS A 108 2.954 -2.919 0.805 1.00 0.00 H new ATOM 1763 N THR A 109 4.265 0.364 -3.837 1.00 0.00 N ATOM 1764 CA THR A 109 3.673 1.154 -4.893 1.00 0.00 C ATOM 1765 C THR A 109 2.301 0.580 -5.217 1.00 0.00 C ATOM 1766 O THR A 109 2.161 -0.625 -5.405 1.00 0.00 O ATOM 1767 CB THR A 109 4.560 1.144 -6.152 1.00 0.00 C ATOM 1768 OG1 THR A 109 5.901 1.502 -5.799 1.00 0.00 O ATOM 1769 CG2 THR A 109 4.039 2.115 -7.199 1.00 0.00 C ATOM 0 H THR A 109 4.852 -0.403 -4.164 1.00 0.00 H new ATOM 0 HA THR A 109 3.580 2.188 -4.560 1.00 0.00 H new ATOM 0 HB THR A 109 4.540 0.139 -6.573 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.464 1.493 -6.601 1.00 0.00 H new ATOM 0 HG21 THR A 109 4.686 2.086 -8.076 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.026 1.832 -7.485 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.031 3.124 -6.787 1.00 0.00 H new ATOM 1777 N ASN A 110 1.298 1.432 -5.287 1.00 0.00 N ATOM 1778 CA ASN A 110 -0.075 0.964 -5.413 1.00 0.00 C ATOM 1779 C ASN A 110 -0.684 1.450 -6.713 1.00 0.00 C ATOM 1780 O ASN A 110 -0.890 2.649 -6.898 1.00 0.00 O ATOM 1781 CB ASN A 110 -0.919 1.437 -4.226 1.00 0.00 C ATOM 1782 CG ASN A 110 -0.407 0.922 -2.894 1.00 0.00 C ATOM 1783 OD1 ASN A 110 -0.764 -0.168 -2.454 1.00 0.00 O ATOM 1784 ND2 ASN A 110 0.432 1.712 -2.240 1.00 0.00 N ATOM 0 H ASN A 110 1.402 2.446 -5.259 1.00 0.00 H new ATOM 0 HA ASN A 110 -0.064 -0.126 -5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.932 2.527 -4.208 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.949 1.108 -4.365 1.00 0.00 H new ATOM 0 HD21 ASN A 110 0.806 1.422 -1.336 1.00 0.00 H new ATOM 0 HD22 ASN A 110 0.704 2.610 -2.640 1.00 0.00 H new ATOM 1791 N THR A 111 -0.957 0.518 -7.611 1.00 0.00 N ATOM 1792 CA THR A 111 -1.529 0.845 -8.905 1.00 0.00 C ATOM 1793 C THR A 111 -3.003 0.460 -8.949 1.00 0.00 C ATOM 1794 O THR A 111 -3.350 -0.707 -8.764 1.00 0.00 O ATOM 1795 CB THR A 111 -0.783 0.101 -10.032 1.00 0.00 C ATOM 1796 OG1 THR A 111 0.635 0.280 -9.888 1.00 0.00 O ATOM 1797 CG2 THR A 111 -1.228 0.598 -11.401 1.00 0.00 C ATOM 0 H THR A 111 -0.790 -0.478 -7.465 1.00 0.00 H new ATOM 0 HA THR A 111 -1.429 1.920 -9.053 1.00 0.00 H new ATOM 0 HB THR A 111 -1.023 -0.959 -9.954 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.909 1.101 -10.348 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.687 0.058 -12.178 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.298 0.429 -11.519 1.00 0.00 H new ATOM 0 HG23 THR A 111 -1.018 1.664 -11.487 1.00 0.00 H new ATOM 1805 N ASN A 112 -3.867 1.431 -9.202 1.00 0.00 N ATOM 1806 CA ASN A 112 -5.293 1.161 -9.290 1.00 0.00 C ATOM 1807 C ASN A 112 -5.614 0.634 -10.675 1.00 0.00 C ATOM 1808 O ASN A 112 -5.320 1.283 -11.678 1.00 0.00 O ATOM 1809 CB ASN A 112 -6.108 2.427 -9.035 1.00 0.00 C ATOM 1810 CG ASN A 112 -7.591 2.146 -8.849 1.00 0.00 C ATOM 1811 OD1 ASN A 112 -8.437 2.933 -9.268 1.00 0.00 O ATOM 1812 ND2 ASN A 112 -7.921 1.033 -8.204 1.00 0.00 N ATOM 0 H ASN A 112 -3.608 2.407 -9.349 1.00 0.00 H new ATOM 0 HA ASN A 112 -5.553 0.423 -8.531 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.724 2.928 -8.147 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.975 3.114 -9.871 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.903 0.809 -8.043 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.192 0.402 -7.870 1.00 0.00 H new ATOM 1819 N VAL A 113 -6.196 -0.549 -10.737 1.00 0.00 N ATOM 1820 CA VAL A 113 -6.494 -1.159 -12.017 1.00 0.00 C ATOM 1821 C VAL A 113 -7.932 -0.857 -12.435 1.00 0.00 C ATOM 1822 O VAL A 113 -8.229 0.219 -12.942 1.00 0.00 O ATOM 1823 CB VAL A 113 -6.260 -2.690 -11.988 1.00 0.00 C ATOM 1824 CG1 VAL A 113 -6.359 -3.284 -13.388 1.00 0.00 C ATOM 1825 CG2 VAL A 113 -4.912 -3.018 -11.359 1.00 0.00 C ATOM 0 H VAL A 113 -6.469 -1.101 -9.924 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.812 -0.728 -12.750 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.042 -3.138 -11.375 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.191 -4.360 -13.340 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.351 -3.090 -13.796 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.606 -2.828 -14.031 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.768 -4.098 -11.349 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.116 -2.552 -11.940 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.885 -2.639 -10.337 1.00 0.00 H new