USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 650 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 39 MET CE :methyl 168:sc= -1.93 (180deg=-1.47!) USER MOD Set 1.2: B 34 HIS : no HD1:sc= -0.217 X(o=-2.1,f=-2.3) USER MOD Set 2.1: A 34 HIS : no HD1:sc= -0.0391 X(o=-1.1,f=-1.2) USER MOD Set 2.2: B 39 MET CE :methyl 132:sc= -1.08 (180deg=-1.8!) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0263 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 17 MET CE :methyl -164:sc= -0.213 (180deg=-0.851) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc=-0.00165 X(o=-0.0017,f=-0.0017) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 27 GLN : amide:sc=-0.00256 X(o=-0.0026,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 171:sc= 1.13 (180deg=0.973) USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 36 ASN : amide:sc= -0.368 K(o=-0.37,f=-5.1!) USER MOD Single : A 41 LYS NZ :NH3+ -156:sc= 1.23 (180deg=1.18) USER MOD Single : A 42 ASN : amide:sc=-0.000169 K(o=-0.00017,f=-0.85) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : B 10 SER OG : rot 180:sc= 0.101 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 17 MET CE :methyl 164:sc= 0 (180deg=-0.118) USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= -0.057 K(o=-0.057,f=-2.4!) USER MOD Single : B 21 TYR OH : rot -48:sc= 0.103 USER MOD Single : B 22 SER OG : rot 180:sc= 0.0149 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 28 LYS NZ :NH3+ 173:sc= 1.04 (180deg=1.02) USER MOD Single : B 35 ASN : amide:sc=-0.00195 X(o=-0.0019,f=0) USER MOD Single : B 36 ASN : amide:sc= -0.139 K(o=-0.14,f=-7.1!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 ASN : amide:sc= -0.013 K(o=-0.013,f=-1.2) USER MOD Single : B 48 SER OG : rot 87:sc= 0.401 USER MOD ----------------------------------------------------------------- ATOM 83 N LEU A 9 -13.807 8.885 3.751 1.00 0.00 N ATOM 84 CA LEU A 9 -13.932 7.839 2.745 1.00 0.00 C ATOM 85 C LEU A 9 -14.843 6.683 3.185 1.00 0.00 C ATOM 86 O LEU A 9 -14.812 5.633 2.540 1.00 0.00 O ATOM 87 CB LEU A 9 -12.510 7.333 2.407 1.00 0.00 C ATOM 88 CG LEU A 9 -11.535 8.328 1.741 1.00 0.00 C ATOM 89 CD1 LEU A 9 -12.186 9.001 0.530 1.00 0.00 C ATOM 90 CD2 LEU A 9 -10.910 9.385 2.658 1.00 0.00 C ATOM 0 HA LEU A 9 -14.412 8.260 1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.051 6.980 3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.609 6.469 1.750 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.697 7.702 1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.480 9.697 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.466 8.242 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.076 9.543 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.245 10.024 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.698 9.992 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.342 8.892 3.447 1.00 0.00 H new ATOM 102 N SER A 10 -15.656 6.844 4.237 1.00 0.00 N ATOM 103 CA SER A 10 -16.565 5.821 4.762 1.00 0.00 C ATOM 104 C SER A 10 -17.415 5.161 3.670 1.00 0.00 C ATOM 105 O SER A 10 -17.320 3.955 3.453 1.00 0.00 O ATOM 106 CB SER A 10 -17.479 6.428 5.834 1.00 0.00 C ATOM 107 OG SER A 10 -16.796 7.302 6.715 1.00 0.00 O ATOM 0 H SER A 10 -15.699 7.718 4.761 1.00 0.00 H new ATOM 0 HA SER A 10 -15.942 5.041 5.199 1.00 0.00 H new ATOM 0 HB2 SER A 10 -18.289 6.972 5.347 1.00 0.00 H new ATOM 0 HB3 SER A 10 -17.936 5.624 6.411 1.00 0.00 H new ATOM 0 HG SER A 10 -17.426 7.660 7.375 1.00 0.00 H new ATOM 113 N SER A 11 -18.166 5.963 2.916 1.00 0.00 N ATOM 114 CA SER A 11 -19.046 5.511 1.851 1.00 0.00 C ATOM 115 C SER A 11 -18.323 4.757 0.725 1.00 0.00 C ATOM 116 O SER A 11 -18.971 4.032 -0.029 1.00 0.00 O ATOM 117 CB SER A 11 -19.817 6.727 1.325 1.00 0.00 C ATOM 118 OG SER A 11 -20.154 7.617 2.385 1.00 0.00 O ATOM 0 H SER A 11 -18.175 6.976 3.037 1.00 0.00 H new ATOM 0 HA SER A 11 -19.735 4.774 2.264 1.00 0.00 H new ATOM 0 HB2 SER A 11 -19.214 7.251 0.583 1.00 0.00 H new ATOM 0 HB3 SER A 11 -20.725 6.396 0.821 1.00 0.00 H new ATOM 0 HG SER A 11 -20.644 8.385 2.024 1.00 0.00 H new ATOM 124 N GLU A 12 -17.007 4.929 0.562 1.00 0.00 N ATOM 125 CA GLU A 12 -16.248 4.229 -0.470 1.00 0.00 C ATOM 126 C GLU A 12 -15.803 2.863 0.059 1.00 0.00 C ATOM 127 O GLU A 12 -15.527 1.971 -0.740 1.00 0.00 O ATOM 128 CB GLU A 12 -15.036 5.055 -0.931 1.00 0.00 C ATOM 129 CG GLU A 12 -15.364 6.038 -2.062 1.00 0.00 C ATOM 130 CD GLU A 12 -15.668 5.308 -3.378 1.00 0.00 C ATOM 131 OE1 GLU A 12 -14.710 4.903 -4.075 1.00 0.00 O ATOM 132 OE2 GLU A 12 -16.858 5.108 -3.707 1.00 0.00 O ATOM 0 H GLU A 12 -16.444 5.554 1.139 1.00 0.00 H new ATOM 0 HA GLU A 12 -16.892 4.086 -1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.639 5.610 -0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.250 4.378 -1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -16.222 6.647 -1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.525 6.718 -2.208 1.00 0.00 H new ATOM 139 N ILE A 13 -15.710 2.673 1.386 1.00 0.00 N ATOM 140 CA ILE A 13 -15.309 1.389 1.968 1.00 0.00 C ATOM 141 C ILE A 13 -16.368 0.371 1.525 1.00 0.00 C ATOM 142 O ILE A 13 -16.077 -0.718 1.040 1.00 0.00 O ATOM 143 CB ILE A 13 -15.293 1.433 3.531 1.00 0.00 C ATOM 144 CG1 ILE A 13 -14.334 2.484 4.126 1.00 0.00 C ATOM 145 CG2 ILE A 13 -14.999 0.064 4.174 1.00 0.00 C ATOM 146 CD1 ILE A 13 -14.346 2.584 5.654 1.00 0.00 C ATOM 0 H ILE A 13 -15.909 3.398 2.075 1.00 0.00 H new ATOM 0 HA ILE A 13 -14.302 1.135 1.637 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.311 1.731 3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.320 2.253 3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.587 3.460 3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -15.002 0.164 5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -15.764 -0.651 3.873 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -14.022 -0.290 3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.639 3.350 5.974 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -15.347 2.850 5.993 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -14.060 1.624 6.084 1.00 0.00 H new ATOM 158 N GLU A 14 -17.626 0.766 1.688 1.00 0.00 N ATOM 159 CA GLU A 14 -18.820 0.002 1.370 1.00 0.00 C ATOM 160 C GLU A 14 -18.837 -0.407 -0.102 1.00 0.00 C ATOM 161 O GLU A 14 -19.238 -1.526 -0.430 1.00 0.00 O ATOM 162 CB GLU A 14 -20.021 0.864 1.790 1.00 0.00 C ATOM 163 CG GLU A 14 -20.033 0.935 3.330 1.00 0.00 C ATOM 164 CD GLU A 14 -20.967 1.970 3.941 1.00 0.00 C ATOM 165 OE1 GLU A 14 -21.688 2.687 3.212 1.00 0.00 O ATOM 166 OE2 GLU A 14 -20.966 2.077 5.187 1.00 0.00 O ATOM 0 H GLU A 14 -17.849 1.685 2.069 1.00 0.00 H new ATOM 0 HA GLU A 14 -18.854 -0.942 1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.943 1.863 1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.950 0.431 1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.307 -0.046 3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.019 1.142 3.673 1.00 0.00 H new ATOM 173 N ARG A 15 -18.365 0.468 -0.996 1.00 0.00 N ATOM 174 CA ARG A 15 -18.323 0.169 -2.425 1.00 0.00 C ATOM 175 C ARG A 15 -17.256 -0.894 -2.681 1.00 0.00 C ATOM 176 O ARG A 15 -17.449 -1.761 -3.534 1.00 0.00 O ATOM 177 CB ARG A 15 -18.035 1.449 -3.232 1.00 0.00 C ATOM 178 CG ARG A 15 -19.067 2.575 -3.012 1.00 0.00 C ATOM 179 CD ARG A 15 -19.914 2.891 -4.246 1.00 0.00 C ATOM 180 NE ARG A 15 -20.921 1.852 -4.508 1.00 0.00 N ATOM 181 CZ ARG A 15 -21.662 1.760 -5.618 1.00 0.00 C ATOM 182 NH1 ARG A 15 -21.540 2.630 -6.615 1.00 0.00 N ATOM 183 NH2 ARG A 15 -22.557 0.795 -5.745 1.00 0.00 N ATOM 0 H ARG A 15 -18.006 1.391 -0.751 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.290 -0.215 -2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.045 1.820 -2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -18.006 1.199 -4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -19.728 2.293 -2.192 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -18.543 3.479 -2.702 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -20.412 3.851 -4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -19.264 2.992 -5.115 1.00 0.00 H new ATOM 0 HE ARG A 15 -21.066 1.146 -3.787 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.867 3.394 -6.546 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -22.119 2.534 -7.449 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -22.685 0.116 -4.995 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -23.119 0.729 -6.593 1.00 0.00 H new ATOM 197 N LEU A 16 -16.131 -0.829 -1.962 1.00 0.00 N ATOM 198 CA LEU A 16 -15.020 -1.767 -2.083 1.00 0.00 C ATOM 199 C LEU A 16 -15.381 -3.150 -1.552 1.00 0.00 C ATOM 200 O LEU A 16 -14.854 -4.129 -2.075 1.00 0.00 O ATOM 201 CB LEU A 16 -13.782 -1.238 -1.335 1.00 0.00 C ATOM 202 CG LEU A 16 -12.981 -0.221 -2.159 1.00 0.00 C ATOM 203 CD1 LEU A 16 -12.081 0.592 -1.230 1.00 0.00 C ATOM 204 CD2 LEU A 16 -12.114 -0.927 -3.207 1.00 0.00 C ATOM 0 H LEU A 16 -15.968 -0.104 -1.264 1.00 0.00 H new ATOM 0 HA LEU A 16 -14.795 -1.859 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.098 -0.774 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.136 -2.076 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.684 0.436 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.512 1.314 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.694 1.119 -0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.394 -0.077 -0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.556 -0.185 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.417 -1.600 -2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -12.752 -1.499 -3.881 1.00 0.00 H new ATOM 216 N MET A 17 -16.282 -3.276 -0.570 1.00 0.00 N ATOM 217 CA MET A 17 -16.644 -4.597 -0.049 1.00 0.00 C ATOM 218 C MET A 17 -17.223 -5.491 -1.154 1.00 0.00 C ATOM 219 O MET A 17 -17.031 -6.707 -1.116 1.00 0.00 O ATOM 220 CB MET A 17 -17.618 -4.512 1.132 1.00 0.00 C ATOM 221 CG MET A 17 -17.060 -3.727 2.320 1.00 0.00 C ATOM 222 SD MET A 17 -17.961 -4.023 3.864 1.00 0.00 S ATOM 223 CE MET A 17 -17.206 -2.741 4.893 1.00 0.00 C ATOM 0 H MET A 17 -16.765 -2.494 -0.128 1.00 0.00 H new ATOM 0 HA MET A 17 -15.722 -5.048 0.319 1.00 0.00 H new ATOM 0 HB2 MET A 17 -18.544 -4.043 0.798 1.00 0.00 H new ATOM 0 HB3 MET A 17 -17.871 -5.521 1.458 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.013 -3.993 2.462 1.00 0.00 H new ATOM 0 HG3 MET A 17 -17.090 -2.662 2.089 1.00 0.00 H new ATOM 0 HE1 MET A 17 -17.419 -2.944 5.942 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.127 -2.737 4.736 1.00 0.00 H new ATOM 0 HE3 MET A 17 -17.616 -1.768 4.621 1.00 0.00 H new ATOM 233 N SER A 18 -17.878 -4.912 -2.166 1.00 0.00 N ATOM 234 CA SER A 18 -18.450 -5.680 -3.269 1.00 0.00 C ATOM 235 C SER A 18 -17.356 -6.380 -4.092 1.00 0.00 C ATOM 236 O SER A 18 -17.624 -7.383 -4.749 1.00 0.00 O ATOM 237 CB SER A 18 -19.272 -4.754 -4.165 1.00 0.00 C ATOM 238 OG SER A 18 -20.231 -4.021 -3.427 1.00 0.00 O ATOM 0 H SER A 18 -18.024 -3.905 -2.241 1.00 0.00 H new ATOM 0 HA SER A 18 -19.095 -6.452 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 18 -18.606 -4.063 -4.682 1.00 0.00 H new ATOM 0 HB3 SER A 18 -19.776 -5.343 -4.931 1.00 0.00 H new ATOM 0 HG SER A 18 -20.736 -3.439 -4.033 1.00 0.00 H new ATOM 244 N GLN A 19 -16.121 -5.869 -4.063 1.00 0.00 N ATOM 245 CA GLN A 19 -14.982 -6.429 -4.778 1.00 0.00 C ATOM 246 C GLN A 19 -14.297 -7.541 -3.963 1.00 0.00 C ATOM 247 O GLN A 19 -13.331 -8.127 -4.460 1.00 0.00 O ATOM 248 CB GLN A 19 -14.006 -5.297 -5.143 1.00 0.00 C ATOM 249 CG GLN A 19 -14.554 -4.319 -6.194 1.00 0.00 C ATOM 250 CD GLN A 19 -14.546 -4.927 -7.595 1.00 0.00 C ATOM 251 OE1 GLN A 19 -13.549 -4.862 -8.302 1.00 0.00 O ATOM 252 NE2 GLN A 19 -15.646 -5.508 -8.036 1.00 0.00 N ATOM 0 H GLN A 19 -15.886 -5.034 -3.527 1.00 0.00 H new ATOM 0 HA GLN A 19 -15.332 -6.897 -5.698 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.755 -4.741 -4.240 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.080 -5.735 -5.516 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.572 -4.033 -5.928 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.955 -3.408 -6.190 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.471 -5.557 -7.439 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.671 -5.908 -8.974 1.00 0.00 H new ATOM 261 N GLY A 20 -14.771 -7.838 -2.748 1.00 0.00 N ATOM 262 CA GLY A 20 -14.248 -8.876 -1.864 1.00 0.00 C ATOM 263 C GLY A 20 -13.319 -8.368 -0.767 1.00 0.00 C ATOM 264 O GLY A 20 -13.098 -9.080 0.214 1.00 0.00 O ATOM 0 H GLY A 20 -15.562 -7.339 -2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.086 -9.396 -1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.711 -9.610 -2.465 1.00 0.00 H new ATOM 268 N TYR A 21 -12.814 -7.137 -0.874 1.00 0.00 N ATOM 269 CA TYR A 21 -11.905 -6.577 0.115 1.00 0.00 C ATOM 270 C TYR A 21 -12.546 -6.550 1.504 1.00 0.00 C ATOM 271 O TYR A 21 -13.625 -5.977 1.704 1.00 0.00 O ATOM 272 CB TYR A 21 -11.439 -5.182 -0.313 1.00 0.00 C ATOM 273 CG TYR A 21 -10.834 -5.128 -1.705 1.00 0.00 C ATOM 274 CD1 TYR A 21 -9.656 -5.839 -2.006 1.00 0.00 C ATOM 275 CD2 TYR A 21 -11.468 -4.376 -2.709 1.00 0.00 C ATOM 276 CE1 TYR A 21 -9.117 -5.789 -3.304 1.00 0.00 C ATOM 277 CE2 TYR A 21 -10.940 -4.332 -4.009 1.00 0.00 C ATOM 278 CZ TYR A 21 -9.761 -5.046 -4.315 1.00 0.00 C ATOM 279 OH TYR A 21 -9.245 -5.023 -5.573 1.00 0.00 O ATOM 0 H TYR A 21 -13.026 -6.507 -1.647 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.028 -7.222 0.176 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -12.287 -4.499 -0.271 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.703 -4.821 0.405 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -9.167 -6.422 -1.240 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.369 -3.827 -2.478 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.205 -6.322 -3.528 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.435 -3.753 -4.774 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.810 -4.466 -6.148 1.00 0.00 H new ATOM 289 N SER A 22 -11.877 -7.185 2.464 1.00 0.00 N ATOM 290 CA SER A 22 -12.311 -7.255 3.845 1.00 0.00 C ATOM 291 C SER A 22 -12.291 -5.845 4.441 1.00 0.00 C ATOM 292 O SER A 22 -11.396 -5.048 4.142 1.00 0.00 O ATOM 293 CB SER A 22 -11.354 -8.182 4.597 1.00 0.00 C ATOM 294 OG SER A 22 -11.326 -9.459 3.983 1.00 0.00 O ATOM 0 H SER A 22 -10.999 -7.674 2.292 1.00 0.00 H new ATOM 0 HA SER A 22 -13.325 -7.648 3.923 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.352 -7.753 4.606 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.669 -8.277 5.636 1.00 0.00 H new ATOM 0 HG SER A 22 -10.709 -10.043 4.471 1.00 0.00 H new ATOM 300 N TYR A 23 -13.256 -5.542 5.311 1.00 0.00 N ATOM 301 CA TYR A 23 -13.375 -4.244 5.966 1.00 0.00 C ATOM 302 C TYR A 23 -12.064 -3.837 6.632 1.00 0.00 C ATOM 303 O TYR A 23 -11.620 -2.700 6.460 1.00 0.00 O ATOM 304 CB TYR A 23 -14.518 -4.284 6.986 1.00 0.00 C ATOM 305 CG TYR A 23 -14.667 -3.044 7.854 1.00 0.00 C ATOM 306 CD1 TYR A 23 -14.591 -1.751 7.306 1.00 0.00 C ATOM 307 CD2 TYR A 23 -14.903 -3.190 9.229 1.00 0.00 C ATOM 308 CE1 TYR A 23 -14.778 -0.618 8.120 1.00 0.00 C ATOM 309 CE2 TYR A 23 -15.117 -2.066 10.044 1.00 0.00 C ATOM 310 CZ TYR A 23 -15.037 -0.768 9.498 1.00 0.00 C ATOM 311 OH TYR A 23 -15.243 0.328 10.274 1.00 0.00 O ATOM 0 H TYR A 23 -13.985 -6.202 5.582 1.00 0.00 H new ATOM 0 HA TYR A 23 -13.601 -3.492 5.210 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -15.454 -4.445 6.451 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -14.370 -5.146 7.637 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -14.388 -1.626 6.253 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -14.920 -4.178 9.666 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -14.723 0.370 7.687 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -15.343 -2.196 11.092 1.00 0.00 H new ATOM 0 HH TYR A 23 -15.409 0.048 11.198 1.00 0.00 H new ATOM 321 N GLN A 24 -11.422 -4.764 7.350 1.00 0.00 N ATOM 322 CA GLN A 24 -10.170 -4.470 8.024 1.00 0.00 C ATOM 323 C GLN A 24 -9.101 -4.019 7.035 1.00 0.00 C ATOM 324 O GLN A 24 -8.384 -3.067 7.302 1.00 0.00 O ATOM 325 CB GLN A 24 -9.629 -5.691 8.772 1.00 0.00 C ATOM 326 CG GLN A 24 -10.434 -6.023 10.024 1.00 0.00 C ATOM 327 CD GLN A 24 -9.676 -7.030 10.884 1.00 0.00 C ATOM 328 OE1 GLN A 24 -9.170 -8.034 10.397 1.00 0.00 O ATOM 329 NE2 GLN A 24 -9.542 -6.767 12.169 1.00 0.00 N ATOM 0 H GLN A 24 -11.754 -5.720 7.475 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.388 -3.671 8.732 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -9.634 -6.552 8.104 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.591 -5.510 9.051 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.623 -5.114 10.596 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.405 -6.431 9.744 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.967 -5.929 12.565 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.013 -7.402 12.767 1.00 0.00 H new ATOM 338 N ASP A 25 -8.925 -4.722 5.918 1.00 0.00 N ATOM 339 CA ASP A 25 -7.924 -4.368 4.906 1.00 0.00 C ATOM 340 C ASP A 25 -8.202 -2.975 4.376 1.00 0.00 C ATOM 341 O ASP A 25 -7.280 -2.172 4.259 1.00 0.00 O ATOM 342 CB ASP A 25 -7.854 -5.428 3.805 1.00 0.00 C ATOM 343 CG ASP A 25 -7.115 -6.621 4.391 1.00 0.00 C ATOM 344 OD1 ASP A 25 -5.898 -6.478 4.659 1.00 0.00 O ATOM 345 OD2 ASP A 25 -7.796 -7.563 4.835 1.00 0.00 O ATOM 0 H ASP A 25 -9.470 -5.552 5.686 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.935 -4.349 5.363 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.854 -5.714 3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.332 -5.042 2.929 1.00 0.00 H new ATOM 350 N ILE A 26 -9.464 -2.637 4.113 1.00 0.00 N ATOM 351 CA ILE A 26 -9.797 -1.306 3.625 1.00 0.00 C ATOM 352 C ILE A 26 -9.348 -0.273 4.687 1.00 0.00 C ATOM 353 O ILE A 26 -8.781 0.768 4.342 1.00 0.00 O ATOM 354 CB ILE A 26 -11.294 -1.243 3.262 1.00 0.00 C ATOM 355 CG1 ILE A 26 -11.695 -2.276 2.178 1.00 0.00 C ATOM 356 CG2 ILE A 26 -11.589 0.160 2.732 1.00 0.00 C ATOM 357 CD1 ILE A 26 -13.206 -2.524 2.139 1.00 0.00 C ATOM 0 H ILE A 26 -10.262 -3.261 4.229 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.267 -1.065 2.704 1.00 0.00 H new ATOM 0 HB ILE A 26 -11.868 -1.476 4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.362 -1.922 1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.180 -3.217 2.369 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.644 0.234 2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -11.356 0.896 3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.978 0.352 1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.435 -3.255 1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -13.537 -2.904 3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -13.723 -1.589 1.921 1.00 0.00 H new ATOM 369 N GLN A 27 -9.572 -0.563 5.974 1.00 0.00 N ATOM 370 CA GLN A 27 -9.174 0.296 7.090 1.00 0.00 C ATOM 371 C GLN A 27 -7.637 0.433 7.132 1.00 0.00 C ATOM 372 O GLN A 27 -7.138 1.561 7.190 1.00 0.00 O ATOM 373 CB GLN A 27 -9.705 -0.251 8.433 1.00 0.00 C ATOM 374 CG GLN A 27 -11.234 -0.242 8.594 1.00 0.00 C ATOM 375 CD GLN A 27 -11.747 1.002 9.318 1.00 0.00 C ATOM 376 OE1 GLN A 27 -11.573 1.162 10.527 1.00 0.00 O ATOM 377 NE2 GLN A 27 -12.389 1.904 8.597 1.00 0.00 N ATOM 0 H GLN A 27 -10.044 -1.417 6.272 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.613 1.281 6.935 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.351 -1.275 8.554 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.269 0.335 9.242 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.699 -0.301 7.610 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.542 -1.130 9.146 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.524 1.755 7.597 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.749 2.749 9.040 1.00 0.00 H new ATOM 386 N LYS A 28 -6.880 -0.675 7.098 1.00 0.00 N ATOM 387 CA LYS A 28 -5.410 -0.671 7.128 1.00 0.00 C ATOM 388 C LYS A 28 -4.871 0.157 5.959 1.00 0.00 C ATOM 389 O LYS A 28 -3.957 0.966 6.125 1.00 0.00 O ATOM 390 CB LYS A 28 -4.831 -2.101 6.998 1.00 0.00 C ATOM 391 CG LYS A 28 -5.132 -3.140 8.094 1.00 0.00 C ATOM 392 CD LYS A 28 -4.422 -4.473 7.771 1.00 0.00 C ATOM 393 CE LYS A 28 -5.105 -5.739 8.310 1.00 0.00 C ATOM 394 NZ LYS A 28 -6.143 -6.280 7.406 1.00 0.00 N ATOM 0 H LYS A 28 -7.279 -1.613 7.048 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.108 -0.246 8.085 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.183 -2.512 6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.747 -2.010 6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.798 -2.766 9.062 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.208 -3.301 8.168 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.333 -4.563 6.688 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.409 -4.430 8.171 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.349 -6.505 8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.557 -5.515 9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.455 -7.210 7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.954 -5.630 7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.751 -6.381 6.448 1.00 0.00 H new ATOM 408 N ALA A 29 -5.420 -0.049 4.761 1.00 0.00 N ATOM 409 CA ALA A 29 -4.997 0.663 3.570 1.00 0.00 C ATOM 410 C ALA A 29 -5.196 2.169 3.744 1.00 0.00 C ATOM 411 O ALA A 29 -4.295 2.925 3.395 1.00 0.00 O ATOM 412 CB ALA A 29 -5.755 0.129 2.351 1.00 0.00 C ATOM 0 H ALA A 29 -6.172 -0.718 4.596 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.932 0.494 3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.434 0.667 1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.546 -0.934 2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.826 0.274 2.496 1.00 0.00 H new ATOM 418 N LEU A 30 -6.331 2.619 4.299 1.00 0.00 N ATOM 419 CA LEU A 30 -6.609 4.042 4.482 1.00 0.00 C ATOM 420 C LEU A 30 -5.623 4.721 5.413 1.00 0.00 C ATOM 421 O LEU A 30 -5.096 5.772 5.052 1.00 0.00 O ATOM 422 CB LEU A 30 -8.026 4.287 5.032 1.00 0.00 C ATOM 423 CG LEU A 30 -9.115 4.230 3.957 1.00 0.00 C ATOM 424 CD1 LEU A 30 -10.493 4.217 4.625 1.00 0.00 C ATOM 425 CD2 LEU A 30 -9.049 5.418 2.982 1.00 0.00 C ATOM 0 H LEU A 30 -7.076 2.006 4.631 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.515 4.474 3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.244 3.543 5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.056 5.263 5.517 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.949 3.318 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.268 4.176 3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.576 3.343 5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.618 5.122 5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.844 5.326 2.242 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.174 6.349 3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.083 5.422 2.478 1.00 0.00 H new ATOM 437 N VAL A 31 -5.406 4.171 6.608 1.00 0.00 N ATOM 438 CA VAL A 31 -4.498 4.778 7.575 1.00 0.00 C ATOM 439 C VAL A 31 -3.094 4.937 6.978 1.00 0.00 C ATOM 440 O VAL A 31 -2.533 6.036 7.028 1.00 0.00 O ATOM 441 CB VAL A 31 -4.603 4.034 8.925 1.00 0.00 C ATOM 442 CG1 VAL A 31 -4.155 2.575 8.929 1.00 0.00 C ATOM 443 CG2 VAL A 31 -3.864 4.774 10.041 1.00 0.00 C ATOM 0 H VAL A 31 -5.847 3.308 6.927 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.788 5.803 7.805 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.678 4.022 9.105 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.275 2.160 9.930 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.762 2.006 8.225 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.107 2.515 8.635 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.962 4.218 10.973 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.809 4.864 9.782 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.293 5.768 10.165 1.00 0.00 H new ATOM 453 N ILE A 32 -2.560 3.887 6.347 1.00 0.00 N ATOM 454 CA ILE A 32 -1.236 3.920 5.732 1.00 0.00 C ATOM 455 C ILE A 32 -1.241 4.906 4.552 1.00 0.00 C ATOM 456 O ILE A 32 -0.278 5.645 4.372 1.00 0.00 O ATOM 457 CB ILE A 32 -0.809 2.485 5.330 1.00 0.00 C ATOM 458 CG1 ILE A 32 -0.735 1.552 6.568 1.00 0.00 C ATOM 459 CG2 ILE A 32 0.560 2.523 4.629 1.00 0.00 C ATOM 460 CD1 ILE A 32 -0.694 0.048 6.283 1.00 0.00 C ATOM 0 H ILE A 32 -3.037 2.991 6.250 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.492 4.280 6.442 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.561 2.089 4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.153 1.816 7.142 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.597 1.757 7.203 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.854 1.511 4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.494 3.142 3.734 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.304 2.943 5.306 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.643 -0.499 7.224 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.594 -0.244 5.741 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.184 -0.184 5.680 1.00 0.00 H new ATOM 472 N ALA A 33 -2.323 4.962 3.770 1.00 0.00 N ATOM 473 CA ALA A 33 -2.461 5.850 2.623 1.00 0.00 C ATOM 474 C ALA A 33 -2.720 7.319 3.001 1.00 0.00 C ATOM 475 O ALA A 33 -2.978 8.119 2.099 1.00 0.00 O ATOM 476 CB ALA A 33 -3.588 5.347 1.715 1.00 0.00 C ATOM 0 H ALA A 33 -3.143 4.376 3.924 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.504 5.830 2.102 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.689 6.013 0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.353 4.341 1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.524 5.329 2.273 1.00 0.00 H new ATOM 482 N HIS A 34 -2.656 7.700 4.283 1.00 0.00 N ATOM 483 CA HIS A 34 -2.918 9.064 4.758 1.00 0.00 C ATOM 484 C HIS A 34 -4.359 9.442 4.376 1.00 0.00 C ATOM 485 O HIS A 34 -4.617 10.523 3.839 1.00 0.00 O ATOM 486 CB HIS A 34 -1.886 10.095 4.244 1.00 0.00 C ATOM 487 CG HIS A 34 -0.427 9.851 4.559 1.00 0.00 C ATOM 488 ND1 HIS A 34 0.618 10.634 4.112 1.00 0.00 N ATOM 489 CD2 HIS A 34 0.112 8.864 5.344 1.00 0.00 C ATOM 490 CE1 HIS A 34 1.755 10.132 4.616 1.00 0.00 C ATOM 491 NE2 HIS A 34 1.498 9.048 5.368 1.00 0.00 N ATOM 0 H HIS A 34 -2.415 7.054 5.035 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.809 9.084 5.842 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.988 10.159 3.161 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.157 11.070 4.648 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.436 8.084 5.852 1.00 0.00 H new ATOM 0 HE1 HIS A 34 2.739 10.541 4.442 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.181 8.472 5.860 1.00 0.00 H new ATOM 499 N ASN A 35 -5.309 8.551 4.683 1.00 0.00 N ATOM 500 CA ASN A 35 -6.743 8.662 4.412 1.00 0.00 C ATOM 501 C ASN A 35 -6.963 9.078 2.955 1.00 0.00 C ATOM 502 O ASN A 35 -7.606 10.090 2.676 1.00 0.00 O ATOM 503 CB ASN A 35 -7.466 9.586 5.415 1.00 0.00 C ATOM 504 CG ASN A 35 -7.569 9.052 6.840 1.00 0.00 C ATOM 505 OD1 ASN A 35 -7.071 7.977 7.174 1.00 0.00 O ATOM 506 ND2 ASN A 35 -8.224 9.804 7.710 1.00 0.00 N ATOM 0 H ASN A 35 -5.080 7.678 5.158 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.197 7.681 4.556 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.946 10.544 5.441 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.472 9.780 5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.323 9.496 8.677 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.629 10.692 7.413 1.00 0.00 H new ATOM 513 N ASN A 36 -6.416 8.308 2.013 1.00 0.00 N ATOM 514 CA ASN A 36 -6.529 8.566 0.582 1.00 0.00 C ATOM 515 C ASN A 36 -7.098 7.330 -0.105 1.00 0.00 C ATOM 516 O ASN A 36 -6.390 6.330 -0.224 1.00 0.00 O ATOM 517 CB ASN A 36 -5.161 8.953 0.007 1.00 0.00 C ATOM 518 CG ASN A 36 -5.274 9.489 -1.413 1.00 0.00 C ATOM 519 OD1 ASN A 36 -6.144 9.082 -2.173 1.00 0.00 O ATOM 520 ND2 ASN A 36 -4.400 10.405 -1.788 1.00 0.00 N ATOM 0 H ASN A 36 -5.872 7.473 2.230 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.206 9.401 0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.699 9.707 0.644 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.504 8.083 0.016 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.439 10.792 -2.731 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.686 10.726 -1.135 1.00 0.00 H new ATOM 527 N ILE A 37 -8.371 7.366 -0.507 1.00 0.00 N ATOM 528 CA ILE A 37 -9.025 6.239 -1.174 1.00 0.00 C ATOM 529 C ILE A 37 -8.323 5.902 -2.494 1.00 0.00 C ATOM 530 O ILE A 37 -8.104 4.741 -2.809 1.00 0.00 O ATOM 531 CB ILE A 37 -10.530 6.548 -1.419 1.00 0.00 C ATOM 532 CG1 ILE A 37 -11.300 5.395 -2.088 1.00 0.00 C ATOM 533 CG2 ILE A 37 -10.781 7.789 -2.298 1.00 0.00 C ATOM 534 CD1 ILE A 37 -11.624 4.225 -1.166 1.00 0.00 C ATOM 0 H ILE A 37 -8.976 8.177 -0.379 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.952 5.370 -0.520 1.00 0.00 H new ATOM 0 HB ILE A 37 -10.894 6.718 -0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -12.232 5.787 -2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.714 5.025 -2.930 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -11.854 7.936 -2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -10.347 8.667 -1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -10.320 7.642 -3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.167 3.462 -1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -10.698 3.801 -0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.239 4.575 -0.337 1.00 0.00 H new ATOM 546 N GLU A 38 -7.944 6.911 -3.268 1.00 0.00 N ATOM 547 CA GLU A 38 -7.317 6.780 -4.581 1.00 0.00 C ATOM 548 C GLU A 38 -5.938 6.131 -4.547 1.00 0.00 C ATOM 549 O GLU A 38 -5.432 5.664 -5.571 1.00 0.00 O ATOM 550 CB GLU A 38 -7.255 8.166 -5.242 1.00 0.00 C ATOM 551 CG GLU A 38 -8.616 8.864 -5.057 1.00 0.00 C ATOM 552 CD GLU A 38 -8.906 9.945 -6.070 1.00 0.00 C ATOM 553 OE1 GLU A 38 -9.161 9.551 -7.227 1.00 0.00 O ATOM 554 OE2 GLU A 38 -9.076 11.128 -5.693 1.00 0.00 O ATOM 0 H GLU A 38 -8.069 7.884 -2.988 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.935 6.102 -5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.460 8.763 -4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.021 8.069 -6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.405 8.114 -5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.655 9.299 -4.058 1.00 0.00 H new ATOM 561 N MET A 39 -5.321 6.122 -3.374 1.00 0.00 N ATOM 562 CA MET A 39 -4.025 5.547 -3.110 1.00 0.00 C ATOM 563 C MET A 39 -4.277 4.172 -2.504 1.00 0.00 C ATOM 564 O MET A 39 -3.707 3.187 -2.961 1.00 0.00 O ATOM 565 CB MET A 39 -3.286 6.492 -2.165 1.00 0.00 C ATOM 566 CG MET A 39 -1.783 6.260 -2.105 1.00 0.00 C ATOM 567 SD MET A 39 -0.969 7.687 -1.328 1.00 0.00 S ATOM 568 CE MET A 39 0.783 7.399 -1.670 1.00 0.00 C ATOM 0 H MET A 39 -5.739 6.539 -2.543 1.00 0.00 H new ATOM 0 HA MET A 39 -3.406 5.424 -3.999 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.472 7.520 -2.477 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.700 6.383 -1.163 1.00 0.00 H new ATOM 0 HG2 MET A 39 -1.568 5.354 -1.538 1.00 0.00 H new ATOM 0 HG3 MET A 39 -1.389 6.108 -3.110 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.352 8.299 -1.436 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.142 6.572 -1.057 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.912 7.152 -2.724 1.00 0.00 H new ATOM 578 N ALA A 40 -5.172 4.085 -1.515 1.00 0.00 N ATOM 579 CA ALA A 40 -5.517 2.843 -0.849 1.00 0.00 C ATOM 580 C ALA A 40 -6.063 1.812 -1.850 1.00 0.00 C ATOM 581 O ALA A 40 -5.693 0.640 -1.764 1.00 0.00 O ATOM 582 CB ALA A 40 -6.508 3.138 0.281 1.00 0.00 C ATOM 0 H ALA A 40 -5.680 4.893 -1.155 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.622 2.400 -0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.771 2.209 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.051 3.822 0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.407 3.593 -0.133 1.00 0.00 H new ATOM 588 N LYS A 41 -6.867 2.235 -2.837 1.00 0.00 N ATOM 589 CA LYS A 41 -7.432 1.358 -3.866 1.00 0.00 C ATOM 590 C LYS A 41 -6.294 0.659 -4.604 1.00 0.00 C ATOM 591 O LYS A 41 -6.409 -0.533 -4.888 1.00 0.00 O ATOM 592 CB LYS A 41 -8.300 2.146 -4.872 1.00 0.00 C ATOM 593 CG LYS A 41 -9.731 2.430 -4.391 1.00 0.00 C ATOM 594 CD LYS A 41 -10.527 3.237 -5.436 1.00 0.00 C ATOM 595 CE LYS A 41 -11.930 3.549 -4.910 1.00 0.00 C ATOM 596 NZ LYS A 41 -12.862 4.117 -5.906 1.00 0.00 N ATOM 0 H LYS A 41 -7.145 3.211 -2.942 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.074 0.625 -3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.809 3.094 -5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.348 1.588 -5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.242 1.489 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.698 2.982 -3.452 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.003 4.165 -5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.597 2.672 -6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.364 2.632 -4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.842 4.248 -4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.604 4.658 -5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.341 4.746 -6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.298 3.347 -6.452 1.00 0.00 H new ATOM 610 N ASN A 42 -5.208 1.380 -4.905 1.00 0.00 N ATOM 611 CA ASN A 42 -4.051 0.824 -5.596 1.00 0.00 C ATOM 612 C ASN A 42 -3.406 -0.239 -4.714 1.00 0.00 C ATOM 613 O ASN A 42 -3.079 -1.312 -5.211 1.00 0.00 O ATOM 614 CB ASN A 42 -2.995 1.891 -5.929 1.00 0.00 C ATOM 615 CG ASN A 42 -3.316 2.770 -7.123 1.00 0.00 C ATOM 616 OD1 ASN A 42 -4.278 2.570 -7.856 1.00 0.00 O ATOM 617 ND2 ASN A 42 -2.519 3.800 -7.331 1.00 0.00 N ATOM 0 H ASN A 42 -5.112 2.369 -4.673 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.406 0.399 -6.535 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.859 2.529 -5.056 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.043 1.392 -6.111 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.701 4.437 -8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.721 3.959 -6.716 1.00 0.00 H new ATOM 624 N ILE A 43 -3.212 0.039 -3.417 1.00 0.00 N ATOM 625 CA ILE A 43 -2.605 -0.922 -2.493 1.00 0.00 C ATOM 626 C ILE A 43 -3.433 -2.208 -2.516 1.00 0.00 C ATOM 627 O ILE A 43 -2.875 -3.289 -2.717 1.00 0.00 O ATOM 628 CB ILE A 43 -2.453 -0.374 -1.051 1.00 0.00 C ATOM 629 CG1 ILE A 43 -1.833 1.035 -0.980 1.00 0.00 C ATOM 630 CG2 ILE A 43 -1.546 -1.338 -0.268 1.00 0.00 C ATOM 631 CD1 ILE A 43 -1.794 1.663 0.415 1.00 0.00 C ATOM 0 H ILE A 43 -3.469 0.927 -2.985 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.588 -1.122 -2.830 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.456 -0.300 -0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.815 0.986 -1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.394 1.695 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.423 -0.974 0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.000 -2.329 -0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.571 -1.395 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.340 2.652 0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.809 1.752 0.802 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.205 1.033 1.081 1.00 0.00 H new ATOM 643 N LEU A 44 -4.759 -2.077 -2.391 1.00 0.00 N ATOM 644 CA LEU A 44 -5.672 -3.210 -2.399 1.00 0.00 C ATOM 645 C LEU A 44 -5.601 -3.974 -3.719 1.00 0.00 C ATOM 646 O LEU A 44 -5.831 -5.177 -3.725 1.00 0.00 O ATOM 647 CB LEU A 44 -7.123 -2.762 -2.142 1.00 0.00 C ATOM 648 CG LEU A 44 -7.437 -2.385 -0.683 1.00 0.00 C ATOM 649 CD1 LEU A 44 -8.856 -1.805 -0.619 1.00 0.00 C ATOM 650 CD2 LEU A 44 -7.368 -3.587 0.272 1.00 0.00 C ATOM 0 H LEU A 44 -5.224 -1.176 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.360 -3.873 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.341 -1.904 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.795 -3.564 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.685 -1.663 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.092 -1.533 0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.916 -0.919 -1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.570 -2.550 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.599 -3.260 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.091 -4.341 -0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.365 -4.014 0.248 1.00 0.00 H new ATOM 662 N ARG A 45 -5.309 -3.299 -4.834 1.00 0.00 N ATOM 663 CA ARG A 45 -5.211 -3.925 -6.148 1.00 0.00 C ATOM 664 C ARG A 45 -3.954 -4.787 -6.267 1.00 0.00 C ATOM 665 O ARG A 45 -4.007 -5.845 -6.889 1.00 0.00 O ATOM 666 CB ARG A 45 -5.186 -2.824 -7.232 1.00 0.00 C ATOM 667 CG ARG A 45 -5.691 -3.280 -8.605 1.00 0.00 C ATOM 668 CD ARG A 45 -7.219 -3.402 -8.605 1.00 0.00 C ATOM 669 NE ARG A 45 -7.768 -3.791 -9.911 1.00 0.00 N ATOM 670 CZ ARG A 45 -8.103 -2.977 -10.923 1.00 0.00 C ATOM 671 NH1 ARG A 45 -7.864 -1.669 -10.880 1.00 0.00 N ATOM 672 NH2 ARG A 45 -8.719 -3.454 -11.993 1.00 0.00 N ATOM 0 H ARG A 45 -5.133 -2.294 -4.846 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.076 -4.573 -6.284 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.794 -1.984 -6.895 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.165 -2.457 -7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.378 -2.568 -9.368 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.244 -4.240 -8.862 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.518 -4.138 -7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.653 -2.448 -8.305 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.910 -4.789 -10.065 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.414 -1.259 -10.061 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -8.131 -1.076 -11.666 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.942 -4.447 -12.052 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.970 -2.828 -12.758 1.00 0.00 H new ATOM 686 N GLU A 46 -2.836 -4.357 -5.678 1.00 0.00 N ATOM 687 CA GLU A 46 -1.577 -5.086 -5.766 1.00 0.00 C ATOM 688 C GLU A 46 -1.358 -6.113 -4.653 1.00 0.00 C ATOM 689 O GLU A 46 -1.103 -7.280 -4.946 1.00 0.00 O ATOM 690 CB GLU A 46 -0.389 -4.102 -5.808 1.00 0.00 C ATOM 691 CG GLU A 46 -0.433 -3.039 -6.923 1.00 0.00 C ATOM 692 CD GLU A 46 -0.486 -3.568 -8.359 1.00 0.00 C ATOM 693 OE1 GLU A 46 -0.411 -4.803 -8.565 1.00 0.00 O ATOM 694 OE2 GLU A 46 -0.578 -2.712 -9.267 1.00 0.00 O ATOM 0 H GLU A 46 -2.782 -3.498 -5.130 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.637 -5.655 -6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.332 -3.590 -4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.530 -4.677 -5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.305 -2.406 -6.759 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.446 -2.402 -6.825 1.00 0.00 H new ATOM 701 N PHE A 47 -1.419 -5.709 -3.383 1.00 0.00 N ATOM 702 CA PHE A 47 -1.182 -6.607 -2.250 1.00 0.00 C ATOM 703 C PHE A 47 -2.404 -7.425 -1.838 1.00 0.00 C ATOM 704 O PHE A 47 -2.307 -8.332 -1.010 1.00 0.00 O ATOM 705 CB PHE A 47 -0.659 -5.792 -1.063 1.00 0.00 C ATOM 706 CG PHE A 47 0.685 -5.155 -1.344 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.867 -5.883 -1.106 1.00 0.00 C ATOM 708 CD2 PHE A 47 0.760 -3.849 -1.870 1.00 0.00 C ATOM 709 CE1 PHE A 47 3.114 -5.306 -1.386 1.00 0.00 C ATOM 710 CE2 PHE A 47 2.011 -3.266 -2.126 1.00 0.00 C ATOM 711 CZ PHE A 47 3.183 -3.996 -1.876 1.00 0.00 C ATOM 0 H PHE A 47 -1.634 -4.750 -3.110 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.440 -7.336 -2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.381 -5.014 -0.814 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.575 -6.440 -0.190 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.813 -6.885 -0.708 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.145 -3.297 -2.076 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.020 -5.871 -1.224 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.071 -2.260 -2.514 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.146 -3.544 -2.063 1.00 0.00 H new ATOM 721 N SER A 48 -3.575 -7.106 -2.366 1.00 0.00 N ATOM 722 CA SER A 48 -4.820 -7.787 -2.070 1.00 0.00 C ATOM 723 C SER A 48 -5.521 -8.089 -3.405 1.00 0.00 C ATOM 724 O SER A 48 -4.898 -7.971 -4.469 1.00 0.00 O ATOM 725 CB SER A 48 -5.554 -6.937 -1.025 1.00 0.00 C ATOM 726 OG SER A 48 -4.937 -7.159 0.234 1.00 0.00 O ATOM 0 H SER A 48 -3.686 -6.342 -3.033 1.00 0.00 H new ATOM 0 HA SER A 48 -4.730 -8.769 -1.606 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.507 -5.881 -1.291 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.609 -7.209 -0.986 1.00 0.00 H new ATOM 0 HG SER A 48 -5.389 -6.623 0.919 1.00 0.00 H new ATOM 865 N LEU B 9 15.362 5.806 -3.587 1.00 0.00 N ATOM 866 CA LEU B 9 15.212 4.950 -2.414 1.00 0.00 C ATOM 867 C LEU B 9 15.668 3.517 -2.735 1.00 0.00 C ATOM 868 O LEU B 9 15.228 2.555 -2.108 1.00 0.00 O ATOM 869 CB LEU B 9 13.750 5.032 -1.920 1.00 0.00 C ATOM 870 CG LEU B 9 13.293 6.385 -1.321 1.00 0.00 C ATOM 871 CD1 LEU B 9 14.210 6.836 -0.182 1.00 0.00 C ATOM 872 CD2 LEU B 9 13.139 7.537 -2.322 1.00 0.00 C ATOM 0 HA LEU B 9 15.853 5.293 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU B 9 13.094 4.791 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU B 9 13.602 4.259 -1.166 1.00 0.00 H new ATOM 0 HG LEU B 9 12.292 6.168 -0.949 1.00 0.00 H new ATOM 0 HD11 LEU B 9 13.858 7.789 0.213 1.00 0.00 H new ATOM 0 HD12 LEU B 9 14.200 6.088 0.611 1.00 0.00 H new ATOM 0 HD13 LEU B 9 15.227 6.953 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU B 9 12.816 8.435 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU B 9 14.096 7.726 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU B 9 12.396 7.269 -3.073 1.00 0.00 H new ATOM 884 N SER B 10 16.508 3.364 -3.758 1.00 0.00 N ATOM 885 CA SER B 10 17.074 2.116 -4.241 1.00 0.00 C ATOM 886 C SER B 10 17.950 1.433 -3.192 1.00 0.00 C ATOM 887 O SER B 10 17.807 0.231 -2.972 1.00 0.00 O ATOM 888 CB SER B 10 17.814 2.414 -5.547 1.00 0.00 C ATOM 889 OG SER B 10 18.520 3.643 -5.444 1.00 0.00 O ATOM 0 H SER B 10 16.829 4.164 -4.303 1.00 0.00 H new ATOM 0 HA SER B 10 16.281 1.395 -4.438 1.00 0.00 H new ATOM 0 HB2 SER B 10 18.509 1.605 -5.772 1.00 0.00 H new ATOM 0 HB3 SER B 10 17.104 2.463 -6.372 1.00 0.00 H new ATOM 0 HG SER B 10 18.990 3.821 -6.285 1.00 0.00 H new ATOM 895 N SER B 11 18.836 2.166 -2.517 1.00 0.00 N ATOM 896 CA SER B 11 19.682 1.581 -1.484 1.00 0.00 C ATOM 897 C SER B 11 18.807 1.134 -0.305 1.00 0.00 C ATOM 898 O SER B 11 19.191 0.225 0.437 1.00 0.00 O ATOM 899 CB SER B 11 20.763 2.575 -1.068 1.00 0.00 C ATOM 900 OG SER B 11 21.564 2.932 -2.186 1.00 0.00 O ATOM 0 H SER B 11 18.984 3.164 -2.669 1.00 0.00 H new ATOM 0 HA SER B 11 20.194 0.699 -1.869 1.00 0.00 H new ATOM 0 HB2 SER B 11 20.302 3.467 -0.643 1.00 0.00 H new ATOM 0 HB3 SER B 11 21.388 2.138 -0.289 1.00 0.00 H new ATOM 0 HG SER B 11 22.252 3.571 -1.905 1.00 0.00 H new ATOM 906 N GLU B 12 17.626 1.741 -0.127 1.00 0.00 N ATOM 907 CA GLU B 12 16.702 1.373 0.935 1.00 0.00 C ATOM 908 C GLU B 12 15.977 0.066 0.559 1.00 0.00 C ATOM 909 O GLU B 12 15.398 -0.560 1.445 1.00 0.00 O ATOM 910 CB GLU B 12 15.711 2.503 1.257 1.00 0.00 C ATOM 911 CG GLU B 12 16.341 3.756 1.884 1.00 0.00 C ATOM 912 CD GLU B 12 16.848 3.492 3.305 1.00 0.00 C ATOM 913 OE1 GLU B 12 16.004 3.460 4.233 1.00 0.00 O ATOM 914 OE2 GLU B 12 18.053 3.203 3.480 1.00 0.00 O ATOM 0 H GLU B 12 17.291 2.501 -0.720 1.00 0.00 H new ATOM 0 HA GLU B 12 17.275 1.206 1.847 1.00 0.00 H new ATOM 0 HB2 GLU B 12 15.200 2.792 0.338 1.00 0.00 H new ATOM 0 HB3 GLU B 12 14.951 2.117 1.936 1.00 0.00 H new ATOM 0 HG2 GLU B 12 17.168 4.097 1.261 1.00 0.00 H new ATOM 0 HG3 GLU B 12 15.606 4.560 1.905 1.00 0.00 H new ATOM 921 N ILE B 13 15.978 -0.362 -0.719 1.00 0.00 N ATOM 922 CA ILE B 13 15.353 -1.621 -1.148 1.00 0.00 C ATOM 923 C ILE B 13 16.171 -2.720 -0.468 1.00 0.00 C ATOM 924 O ILE B 13 15.609 -3.623 0.147 1.00 0.00 O ATOM 925 CB ILE B 13 15.363 -1.815 -2.693 1.00 0.00 C ATOM 926 CG1 ILE B 13 14.650 -0.670 -3.441 1.00 0.00 C ATOM 927 CG2 ILE B 13 14.743 -3.165 -3.115 1.00 0.00 C ATOM 928 CD1 ILE B 13 14.880 -0.684 -4.963 1.00 0.00 C ATOM 0 H ILE B 13 16.413 0.159 -1.480 1.00 0.00 H new ATOM 0 HA ILE B 13 14.299 -1.636 -0.869 1.00 0.00 H new ATOM 0 HB ILE B 13 16.416 -1.806 -2.976 1.00 0.00 H new ATOM 0 HG12 ILE B 13 13.580 -0.731 -3.244 1.00 0.00 H new ATOM 0 HG13 ILE B 13 14.994 0.283 -3.040 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.772 -3.255 -4.201 1.00 0.00 H new ATOM 0 HG22 ILE B 13 15.310 -3.981 -2.668 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.709 -3.213 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE B 13 14.347 0.151 -5.419 1.00 0.00 H new ATOM 0 HD12 ILE B 13 15.946 -0.591 -5.171 1.00 0.00 H new ATOM 0 HD13 ILE B 13 14.510 -1.621 -5.378 1.00 0.00 H new ATOM 940 N GLU B 14 17.502 -2.614 -0.539 1.00 0.00 N ATOM 941 CA GLU B 14 18.413 -3.579 0.068 1.00 0.00 C ATOM 942 C GLU B 14 18.150 -3.723 1.572 1.00 0.00 C ATOM 943 O GLU B 14 18.157 -4.838 2.089 1.00 0.00 O ATOM 944 CB GLU B 14 19.869 -3.178 -0.152 1.00 0.00 C ATOM 945 CG GLU B 14 20.302 -3.094 -1.619 1.00 0.00 C ATOM 946 CD GLU B 14 21.803 -2.831 -1.676 1.00 0.00 C ATOM 947 OE1 GLU B 14 22.556 -3.699 -1.180 1.00 0.00 O ATOM 948 OE2 GLU B 14 22.226 -1.717 -2.081 1.00 0.00 O ATOM 0 H GLU B 14 17.976 -1.851 -1.022 1.00 0.00 H new ATOM 0 HA GLU B 14 18.230 -4.538 -0.418 1.00 0.00 H new ATOM 0 HB2 GLU B 14 20.038 -2.209 0.317 1.00 0.00 H new ATOM 0 HB3 GLU B 14 20.509 -3.896 0.360 1.00 0.00 H new ATOM 0 HG2 GLU B 14 20.062 -4.023 -2.137 1.00 0.00 H new ATOM 0 HG3 GLU B 14 19.760 -2.296 -2.127 1.00 0.00 H new ATOM 955 N ARG B 15 17.871 -2.618 2.279 1.00 0.00 N ATOM 956 CA ARG B 15 17.590 -2.659 3.721 1.00 0.00 C ATOM 957 C ARG B 15 16.399 -3.575 4.013 1.00 0.00 C ATOM 958 O ARG B 15 16.330 -4.151 5.100 1.00 0.00 O ATOM 959 CB ARG B 15 17.241 -1.263 4.259 1.00 0.00 C ATOM 960 CG ARG B 15 18.325 -0.178 4.195 1.00 0.00 C ATOM 961 CD ARG B 15 19.463 -0.399 5.195 1.00 0.00 C ATOM 962 NE ARG B 15 20.711 -0.732 4.505 1.00 0.00 N ATOM 963 CZ ARG B 15 21.767 -1.373 4.998 1.00 0.00 C ATOM 964 NH1 ARG B 15 21.813 -1.731 6.281 1.00 0.00 N ATOM 965 NH2 ARG B 15 22.744 -1.688 4.163 1.00 0.00 N ATOM 0 H ARG B 15 17.834 -1.683 1.874 1.00 0.00 H new ATOM 0 HA ARG B 15 18.491 -3.033 4.208 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.372 -0.900 3.710 1.00 0.00 H new ATOM 0 HB3 ARG B 15 16.938 -1.372 5.300 1.00 0.00 H new ATOM 0 HG2 ARG B 15 18.738 -0.146 3.187 1.00 0.00 H new ATOM 0 HG3 ARG B 15 17.868 0.794 4.384 1.00 0.00 H new ATOM 0 HD2 ARG B 15 19.604 0.500 5.795 1.00 0.00 H new ATOM 0 HD3 ARG B 15 19.197 -1.203 5.882 1.00 0.00 H new ATOM 0 HE ARG B 15 20.778 -0.437 3.531 1.00 0.00 H new ATOM 0 HH11 ARG B 15 21.031 -1.514 6.899 1.00 0.00 H new ATOM 0 HH12 ARG B 15 22.630 -2.222 6.644 1.00 0.00 H new ATOM 0 HH21 ARG B 15 22.672 -1.439 3.176 1.00 0.00 H new ATOM 0 HH22 ARG B 15 23.569 -2.180 4.506 1.00 0.00 H new ATOM 979 N LEU B 16 15.453 -3.676 3.072 1.00 0.00 N ATOM 980 CA LEU B 16 14.258 -4.502 3.182 1.00 0.00 C ATOM 981 C LEU B 16 14.528 -5.917 2.682 1.00 0.00 C ATOM 982 O LEU B 16 13.880 -6.850 3.154 1.00 0.00 O ATOM 983 CB LEU B 16 13.070 -3.831 2.477 1.00 0.00 C ATOM 984 CG LEU B 16 12.717 -2.461 3.095 1.00 0.00 C ATOM 985 CD1 LEU B 16 11.465 -1.903 2.422 1.00 0.00 C ATOM 986 CD2 LEU B 16 12.520 -2.553 4.615 1.00 0.00 C ATOM 0 H LEU B 16 15.505 -3.168 2.189 1.00 0.00 H new ATOM 0 HA LEU B 16 13.985 -4.595 4.233 1.00 0.00 H new ATOM 0 HB2 LEU B 16 13.304 -3.701 1.421 1.00 0.00 H new ATOM 0 HB3 LEU B 16 12.201 -4.486 2.532 1.00 0.00 H new ATOM 0 HG LEU B 16 13.554 -1.784 2.922 1.00 0.00 H new ATOM 0 HD11 LEU B 16 11.217 -0.936 2.859 1.00 0.00 H new ATOM 0 HD12 LEU B 16 11.649 -1.782 1.354 1.00 0.00 H new ATOM 0 HD13 LEU B 16 10.634 -2.592 2.571 1.00 0.00 H new ATOM 0 HD21 LEU B 16 12.273 -1.568 5.010 1.00 0.00 H new ATOM 0 HD22 LEU B 16 11.708 -3.246 4.835 1.00 0.00 H new ATOM 0 HD23 LEU B 16 13.439 -2.911 5.080 1.00 0.00 H new ATOM 998 N MET B 17 15.487 -6.121 1.772 1.00 0.00 N ATOM 999 CA MET B 17 15.833 -7.460 1.297 1.00 0.00 C ATOM 1000 C MET B 17 16.356 -8.268 2.487 1.00 0.00 C ATOM 1001 O MET B 17 16.093 -9.467 2.583 1.00 0.00 O ATOM 1002 CB MET B 17 16.883 -7.398 0.193 1.00 0.00 C ATOM 1003 CG MET B 17 16.256 -6.863 -1.088 1.00 0.00 C ATOM 1004 SD MET B 17 17.414 -6.783 -2.467 1.00 0.00 S ATOM 1005 CE MET B 17 16.196 -6.809 -3.797 1.00 0.00 C ATOM 0 H MET B 17 16.037 -5.372 1.351 1.00 0.00 H new ATOM 0 HA MET B 17 14.948 -7.937 0.875 1.00 0.00 H new ATOM 0 HB2 MET B 17 17.709 -6.756 0.500 1.00 0.00 H new ATOM 0 HB3 MET B 17 17.299 -8.390 0.018 1.00 0.00 H new ATOM 0 HG2 MET B 17 15.414 -7.498 -1.365 1.00 0.00 H new ATOM 0 HG3 MET B 17 15.856 -5.867 -0.900 1.00 0.00 H new ATOM 0 HE1 MET B 17 16.665 -6.485 -4.726 1.00 0.00 H new ATOM 0 HE2 MET B 17 15.811 -7.822 -3.918 1.00 0.00 H new ATOM 0 HE3 MET B 17 15.375 -6.136 -3.551 1.00 0.00 H new ATOM 1015 N SER B 18 17.008 -7.598 3.442 1.00 0.00 N ATOM 1016 CA SER B 18 17.534 -8.194 4.663 1.00 0.00 C ATOM 1017 C SER B 18 16.402 -8.748 5.548 1.00 0.00 C ATOM 1018 O SER B 18 16.675 -9.473 6.502 1.00 0.00 O ATOM 1019 CB SER B 18 18.353 -7.141 5.409 1.00 0.00 C ATOM 1020 OG SER B 18 19.389 -6.691 4.562 1.00 0.00 O ATOM 0 H SER B 18 17.187 -6.596 3.380 1.00 0.00 H new ATOM 0 HA SER B 18 18.174 -9.038 4.406 1.00 0.00 H new ATOM 0 HB2 SER B 18 17.717 -6.307 5.704 1.00 0.00 H new ATOM 0 HB3 SER B 18 18.769 -7.564 6.323 1.00 0.00 H new ATOM 0 HG SER B 18 19.922 -6.013 5.028 1.00 0.00 H new ATOM 1026 N GLN B 19 15.138 -8.397 5.274 1.00 0.00 N ATOM 1027 CA GLN B 19 13.960 -8.864 5.999 1.00 0.00 C ATOM 1028 C GLN B 19 13.305 -10.030 5.240 1.00 0.00 C ATOM 1029 O GLN B 19 12.453 -10.717 5.801 1.00 0.00 O ATOM 1030 CB GLN B 19 12.929 -7.736 6.154 1.00 0.00 C ATOM 1031 CG GLN B 19 13.464 -6.405 6.700 1.00 0.00 C ATOM 1032 CD GLN B 19 13.929 -6.440 8.153 1.00 0.00 C ATOM 1033 OE1 GLN B 19 14.056 -7.486 8.791 1.00 0.00 O ATOM 1034 NE2 GLN B 19 14.198 -5.274 8.714 1.00 0.00 N ATOM 0 H GLN B 19 14.905 -7.758 4.514 1.00 0.00 H new ATOM 0 HA GLN B 19 14.282 -9.193 6.987 1.00 0.00 H new ATOM 0 HB2 GLN B 19 12.474 -7.550 5.181 1.00 0.00 H new ATOM 0 HB3 GLN B 19 12.136 -8.084 6.815 1.00 0.00 H new ATOM 0 HG2 GLN B 19 14.298 -6.083 6.076 1.00 0.00 H new ATOM 0 HG3 GLN B 19 12.683 -5.651 6.603 1.00 0.00 H new ATOM 0 HE21 GLN B 19 14.090 -4.413 8.178 1.00 0.00 H new ATOM 0 HE22 GLN B 19 14.514 -5.235 9.683 1.00 0.00 H new ATOM 1043 N GLY B 20 13.665 -10.227 3.968 1.00 0.00 N ATOM 1044 CA GLY B 20 13.173 -11.266 3.079 1.00 0.00 C ATOM 1045 C GLY B 20 12.045 -10.816 2.145 1.00 0.00 C ATOM 1046 O GLY B 20 11.636 -11.622 1.305 1.00 0.00 O ATOM 0 H GLY B 20 14.350 -9.625 3.511 1.00 0.00 H new ATOM 0 HA2 GLY B 20 14.003 -11.634 2.476 1.00 0.00 H new ATOM 0 HA3 GLY B 20 12.819 -12.104 3.680 1.00 0.00 H new ATOM 1050 N TYR B 21 11.558 -9.565 2.226 1.00 0.00 N ATOM 1051 CA TYR B 21 10.479 -9.073 1.354 1.00 0.00 C ATOM 1052 C TYR B 21 10.899 -9.219 -0.106 1.00 0.00 C ATOM 1053 O TYR B 21 12.057 -8.957 -0.450 1.00 0.00 O ATOM 1054 CB TYR B 21 10.124 -7.605 1.638 1.00 0.00 C ATOM 1055 CG TYR B 21 9.517 -7.338 3.001 1.00 0.00 C ATOM 1056 CD1 TYR B 21 8.201 -7.754 3.292 1.00 0.00 C ATOM 1057 CD2 TYR B 21 10.267 -6.662 3.980 1.00 0.00 C ATOM 1058 CE1 TYR B 21 7.655 -7.525 4.569 1.00 0.00 C ATOM 1059 CE2 TYR B 21 9.730 -6.439 5.261 1.00 0.00 C ATOM 1060 CZ TYR B 21 8.420 -6.874 5.564 1.00 0.00 C ATOM 1061 OH TYR B 21 7.892 -6.659 6.798 1.00 0.00 O ATOM 0 H TYR B 21 11.899 -8.872 2.893 1.00 0.00 H new ATOM 0 HA TYR B 21 9.592 -9.673 1.559 1.00 0.00 H new ATOM 0 HB2 TYR B 21 11.027 -7.004 1.537 1.00 0.00 H new ATOM 0 HB3 TYR B 21 9.426 -7.263 0.874 1.00 0.00 H new ATOM 0 HD1 TYR B 21 7.612 -8.249 2.534 1.00 0.00 H new ATOM 0 HD2 TYR B 21 11.262 -6.312 3.747 1.00 0.00 H new ATOM 0 HE1 TYR B 21 6.648 -7.848 4.790 1.00 0.00 H new ATOM 0 HE2 TYR B 21 10.319 -5.935 6.013 1.00 0.00 H new ATOM 0 HH TYR B 21 6.999 -6.265 6.708 1.00 0.00 H new ATOM 1071 N SER B 22 9.980 -9.639 -0.971 1.00 0.00 N ATOM 1072 CA SER B 22 10.268 -9.834 -2.387 1.00 0.00 C ATOM 1073 C SER B 22 10.568 -8.499 -3.068 1.00 0.00 C ATOM 1074 O SER B 22 9.933 -7.493 -2.752 1.00 0.00 O ATOM 1075 CB SER B 22 9.073 -10.511 -3.070 1.00 0.00 C ATOM 1076 OG SER B 22 8.455 -11.480 -2.238 1.00 0.00 O ATOM 0 H SER B 22 9.017 -9.853 -0.710 1.00 0.00 H new ATOM 0 HA SER B 22 11.147 -10.472 -2.477 1.00 0.00 H new ATOM 0 HB2 SER B 22 8.340 -9.754 -3.349 1.00 0.00 H new ATOM 0 HB3 SER B 22 9.406 -10.987 -3.992 1.00 0.00 H new ATOM 0 HG SER B 22 7.699 -11.884 -2.712 1.00 0.00 H new ATOM 1082 N TYR B 23 11.470 -8.483 -4.050 1.00 0.00 N ATOM 1083 CA TYR B 23 11.837 -7.286 -4.798 1.00 0.00 C ATOM 1084 C TYR B 23 10.576 -6.663 -5.393 1.00 0.00 C ATOM 1085 O TYR B 23 10.355 -5.464 -5.239 1.00 0.00 O ATOM 1086 CB TYR B 23 12.849 -7.645 -5.893 1.00 0.00 C ATOM 1087 CG TYR B 23 13.190 -6.488 -6.813 1.00 0.00 C ATOM 1088 CD1 TYR B 23 13.954 -5.410 -6.333 1.00 0.00 C ATOM 1089 CD2 TYR B 23 12.737 -6.482 -8.146 1.00 0.00 C ATOM 1090 CE1 TYR B 23 14.314 -4.356 -7.187 1.00 0.00 C ATOM 1091 CE2 TYR B 23 13.087 -5.429 -9.008 1.00 0.00 C ATOM 1092 CZ TYR B 23 13.896 -4.371 -8.538 1.00 0.00 C ATOM 1093 OH TYR B 23 14.286 -3.388 -9.394 1.00 0.00 O ATOM 0 H TYR B 23 11.973 -9.318 -4.351 1.00 0.00 H new ATOM 0 HA TYR B 23 12.306 -6.559 -4.134 1.00 0.00 H new ATOM 0 HB2 TYR B 23 13.764 -8.007 -5.425 1.00 0.00 H new ATOM 0 HB3 TYR B 23 12.450 -8.466 -6.489 1.00 0.00 H new ATOM 0 HD1 TYR B 23 14.266 -5.393 -5.299 1.00 0.00 H new ATOM 0 HD2 TYR B 23 12.118 -7.290 -8.507 1.00 0.00 H new ATOM 0 HE1 TYR B 23 14.909 -3.536 -6.813 1.00 0.00 H new ATOM 0 HE2 TYR B 23 12.737 -5.429 -10.030 1.00 0.00 H new ATOM 0 HH TYR B 23 13.907 -3.558 -10.282 1.00 0.00 H new ATOM 1103 N GLN B 24 9.732 -7.496 -6.016 1.00 0.00 N ATOM 1104 CA GLN B 24 8.481 -7.069 -6.624 1.00 0.00 C ATOM 1105 C GLN B 24 7.592 -6.399 -5.576 1.00 0.00 C ATOM 1106 O GLN B 24 7.021 -5.352 -5.841 1.00 0.00 O ATOM 1107 CB GLN B 24 7.723 -8.260 -7.235 1.00 0.00 C ATOM 1108 CG GLN B 24 8.499 -9.027 -8.310 1.00 0.00 C ATOM 1109 CD GLN B 24 7.562 -9.991 -9.037 1.00 0.00 C ATOM 1110 OE1 GLN B 24 7.383 -11.136 -8.624 1.00 0.00 O ATOM 1111 NE2 GLN B 24 6.940 -9.545 -10.113 1.00 0.00 N ATOM 0 H GLN B 24 9.908 -8.496 -6.109 1.00 0.00 H new ATOM 0 HA GLN B 24 8.722 -6.362 -7.418 1.00 0.00 H new ATOM 0 HB2 GLN B 24 7.455 -8.952 -6.436 1.00 0.00 H new ATOM 0 HB3 GLN B 24 6.791 -7.897 -7.668 1.00 0.00 H new ATOM 0 HG2 GLN B 24 8.940 -8.328 -9.021 1.00 0.00 H new ATOM 0 HG3 GLN B 24 9.321 -9.579 -7.854 1.00 0.00 H new ATOM 0 HE21 GLN B 24 7.103 -8.592 -10.438 1.00 0.00 H new ATOM 0 HE22 GLN B 24 6.296 -10.153 -10.619 1.00 0.00 H new ATOM 1120 N ASP B 25 7.469 -6.988 -4.387 1.00 0.00 N ATOM 1121 CA ASP B 25 6.644 -6.463 -3.299 1.00 0.00 C ATOM 1122 C ASP B 25 7.169 -5.097 -2.874 1.00 0.00 C ATOM 1123 O ASP B 25 6.400 -4.148 -2.732 1.00 0.00 O ATOM 1124 CB ASP B 25 6.576 -7.445 -2.118 1.00 0.00 C ATOM 1125 CG ASP B 25 5.707 -8.674 -2.399 1.00 0.00 C ATOM 1126 OD1 ASP B 25 5.582 -9.086 -3.578 1.00 0.00 O ATOM 1127 OD2 ASP B 25 5.197 -9.263 -1.420 1.00 0.00 O ATOM 0 H ASP B 25 7.947 -7.857 -4.149 1.00 0.00 H new ATOM 0 HA ASP B 25 5.622 -6.343 -3.658 1.00 0.00 H new ATOM 0 HB2 ASP B 25 7.585 -7.772 -1.868 1.00 0.00 H new ATOM 0 HB3 ASP B 25 6.184 -6.924 -1.244 1.00 0.00 H new ATOM 1132 N ILE B 26 8.486 -4.961 -2.711 1.00 0.00 N ATOM 1133 CA ILE B 26 9.097 -3.696 -2.322 1.00 0.00 C ATOM 1134 C ILE B 26 8.793 -2.644 -3.410 1.00 0.00 C ATOM 1135 O ILE B 26 8.419 -1.516 -3.084 1.00 0.00 O ATOM 1136 CB ILE B 26 10.607 -3.880 -2.040 1.00 0.00 C ATOM 1137 CG1 ILE B 26 10.924 -4.924 -0.939 1.00 0.00 C ATOM 1138 CG2 ILE B 26 11.179 -2.540 -1.566 1.00 0.00 C ATOM 1139 CD1 ILE B 26 12.373 -5.430 -1.023 1.00 0.00 C ATOM 0 H ILE B 26 9.153 -5.721 -2.845 1.00 0.00 H new ATOM 0 HA ILE B 26 8.670 -3.334 -1.386 1.00 0.00 H new ATOM 0 HB ILE B 26 11.049 -4.236 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.752 -4.480 0.041 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.240 -5.767 -1.032 1.00 0.00 H new ATOM 0 HG21 ILE B 26 12.244 -2.651 -1.362 1.00 0.00 H new ATOM 0 HG22 ILE B 26 11.034 -1.788 -2.342 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.666 -2.227 -0.657 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.550 -6.159 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.539 -5.899 -1.993 1.00 0.00 H new ATOM 0 HD13 ILE B 26 13.059 -4.591 -0.903 1.00 0.00 H new ATOM 1151 N GLN B 27 8.945 -3.008 -4.689 1.00 0.00 N ATOM 1152 CA GLN B 27 8.686 -2.143 -5.840 1.00 0.00 C ATOM 1153 C GLN B 27 7.209 -1.712 -5.853 1.00 0.00 C ATOM 1154 O GLN B 27 6.910 -0.536 -6.072 1.00 0.00 O ATOM 1155 CB GLN B 27 9.040 -2.866 -7.156 1.00 0.00 C ATOM 1156 CG GLN B 27 10.537 -3.095 -7.431 1.00 0.00 C ATOM 1157 CD GLN B 27 11.223 -1.907 -8.108 1.00 0.00 C ATOM 1158 OE1 GLN B 27 10.951 -1.614 -9.271 1.00 0.00 O ATOM 1159 NE2 GLN B 27 12.135 -1.235 -7.429 1.00 0.00 N ATOM 0 H GLN B 27 9.261 -3.940 -4.956 1.00 0.00 H new ATOM 0 HA GLN B 27 9.315 -1.257 -5.755 1.00 0.00 H new ATOM 0 HB2 GLN B 27 8.540 -3.835 -7.158 1.00 0.00 H new ATOM 0 HB3 GLN B 27 8.625 -2.291 -7.984 1.00 0.00 H new ATOM 0 HG2 GLN B 27 11.043 -3.308 -6.489 1.00 0.00 H new ATOM 0 HG3 GLN B 27 10.652 -3.977 -8.061 1.00 0.00 H new ATOM 0 HE21 GLN B 27 12.346 -1.493 -6.465 1.00 0.00 H new ATOM 0 HE22 GLN B 27 12.628 -0.458 -7.868 1.00 0.00 H new ATOM 1168 N LYS B 28 6.262 -2.633 -5.630 1.00 0.00 N ATOM 1169 CA LYS B 28 4.828 -2.317 -5.608 1.00 0.00 C ATOM 1170 C LYS B 28 4.583 -1.284 -4.514 1.00 0.00 C ATOM 1171 O LYS B 28 3.906 -0.286 -4.750 1.00 0.00 O ATOM 1172 CB LYS B 28 3.983 -3.566 -5.298 1.00 0.00 C ATOM 1173 CG LYS B 28 3.936 -4.638 -6.398 1.00 0.00 C ATOM 1174 CD LYS B 28 3.549 -6.001 -5.791 1.00 0.00 C ATOM 1175 CE LYS B 28 4.131 -7.155 -6.610 1.00 0.00 C ATOM 1176 NZ LYS B 28 4.122 -8.436 -5.868 1.00 0.00 N ATOM 0 H LYS B 28 6.468 -3.617 -5.460 1.00 0.00 H new ATOM 0 HA LYS B 28 4.539 -1.939 -6.588 1.00 0.00 H new ATOM 0 HB2 LYS B 28 4.369 -4.025 -4.388 1.00 0.00 H new ATOM 0 HB3 LYS B 28 2.963 -3.246 -5.086 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.214 -4.354 -7.164 1.00 0.00 H new ATOM 0 HG3 LYS B 28 4.907 -4.711 -6.887 1.00 0.00 H new ATOM 0 HD2 LYS B 28 3.911 -6.061 -4.765 1.00 0.00 H new ATOM 0 HD3 LYS B 28 2.463 -6.090 -5.752 1.00 0.00 H new ATOM 0 HE2 LYS B 28 3.559 -7.268 -7.531 1.00 0.00 H new ATOM 0 HE3 LYS B 28 5.154 -6.913 -6.898 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 4.414 -9.207 -6.502 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 4.783 -8.378 -5.067 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 3.163 -8.625 -5.513 1.00 0.00 H new ATOM 1190 N ALA B 29 5.132 -1.505 -3.318 1.00 0.00 N ATOM 1191 CA ALA B 29 4.952 -0.581 -2.213 1.00 0.00 C ATOM 1192 C ALA B 29 5.499 0.797 -2.591 1.00 0.00 C ATOM 1193 O ALA B 29 4.830 1.793 -2.336 1.00 0.00 O ATOM 1194 CB ALA B 29 5.600 -1.140 -0.942 1.00 0.00 C ATOM 0 H ALA B 29 5.705 -2.319 -3.097 1.00 0.00 H new ATOM 0 HA ALA B 29 3.889 -0.463 -2.003 1.00 0.00 H new ATOM 0 HB1 ALA B 29 5.457 -0.437 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA B 29 5.138 -2.094 -0.687 1.00 0.00 H new ATOM 0 HB3 ALA B 29 6.666 -1.288 -1.112 1.00 0.00 H new ATOM 1200 N LEU B 30 6.679 0.870 -3.222 1.00 0.00 N ATOM 1201 CA LEU B 30 7.283 2.136 -3.624 1.00 0.00 C ATOM 1202 C LEU B 30 6.420 2.873 -4.642 1.00 0.00 C ATOM 1203 O LEU B 30 6.117 4.042 -4.414 1.00 0.00 O ATOM 1204 CB LEU B 30 8.691 1.947 -4.220 1.00 0.00 C ATOM 1205 CG LEU B 30 9.827 1.729 -3.210 1.00 0.00 C ATOM 1206 CD1 LEU B 30 11.133 1.495 -3.978 1.00 0.00 C ATOM 1207 CD2 LEU B 30 10.028 2.918 -2.256 1.00 0.00 C ATOM 0 H LEU B 30 7.236 0.051 -3.465 1.00 0.00 H new ATOM 0 HA LEU B 30 7.360 2.729 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU B 30 8.665 1.093 -4.897 1.00 0.00 H new ATOM 0 HB3 LEU B 30 8.930 2.824 -4.821 1.00 0.00 H new ATOM 0 HG LEU B 30 9.553 0.867 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU B 30 11.948 1.339 -3.271 1.00 0.00 H new ATOM 0 HD12 LEU B 30 11.029 0.615 -4.612 1.00 0.00 H new ATOM 0 HD13 LEU B 30 11.352 2.365 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU B 30 10.845 2.699 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU B 30 10.269 3.811 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU B 30 9.113 3.088 -1.689 1.00 0.00 H new ATOM 1219 N VAL B 31 6.034 2.242 -5.754 1.00 0.00 N ATOM 1220 CA VAL B 31 5.230 2.913 -6.776 1.00 0.00 C ATOM 1221 C VAL B 31 3.896 3.402 -6.210 1.00 0.00 C ATOM 1222 O VAL B 31 3.487 4.534 -6.486 1.00 0.00 O ATOM 1223 CB VAL B 31 5.100 2.032 -8.038 1.00 0.00 C ATOM 1224 CG1 VAL B 31 4.125 0.854 -7.918 1.00 0.00 C ATOM 1225 CG2 VAL B 31 4.673 2.861 -9.251 1.00 0.00 C ATOM 0 H VAL B 31 6.264 1.272 -5.968 1.00 0.00 H new ATOM 0 HA VAL B 31 5.749 3.817 -7.096 1.00 0.00 H new ATOM 0 HB VAL B 31 6.100 1.617 -8.161 1.00 0.00 H new ATOM 0 HG11 VAL B 31 4.107 0.300 -8.856 1.00 0.00 H new ATOM 0 HG12 VAL B 31 4.449 0.194 -7.113 1.00 0.00 H new ATOM 0 HG13 VAL B 31 3.125 1.230 -7.699 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.590 2.213 -10.124 1.00 0.00 H new ATOM 0 HG22 VAL B 31 3.708 3.327 -9.052 1.00 0.00 H new ATOM 0 HG23 VAL B 31 5.416 3.635 -9.443 1.00 0.00 H new ATOM 1235 N ILE B 32 3.216 2.591 -5.394 1.00 0.00 N ATOM 1236 CA ILE B 32 1.943 3.003 -4.824 1.00 0.00 C ATOM 1237 C ILE B 32 2.173 4.135 -3.812 1.00 0.00 C ATOM 1238 O ILE B 32 1.317 5.007 -3.686 1.00 0.00 O ATOM 1239 CB ILE B 32 1.199 1.803 -4.204 1.00 0.00 C ATOM 1240 CG1 ILE B 32 0.934 0.659 -5.213 1.00 0.00 C ATOM 1241 CG2 ILE B 32 -0.155 2.302 -3.678 1.00 0.00 C ATOM 1242 CD1 ILE B 32 0.539 -0.656 -4.522 1.00 0.00 C ATOM 0 H ILE B 32 3.526 1.659 -5.120 1.00 0.00 H new ATOM 0 HA ILE B 32 1.300 3.387 -5.616 1.00 0.00 H new ATOM 0 HB ILE B 32 1.832 1.399 -3.414 1.00 0.00 H new ATOM 0 HG12 ILE B 32 0.140 0.959 -5.897 1.00 0.00 H new ATOM 0 HG13 ILE B 32 1.828 0.495 -5.815 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -0.702 1.470 -3.234 1.00 0.00 H new ATOM 0 HG22 ILE B 32 0.009 3.072 -2.924 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -0.735 2.718 -4.502 1.00 0.00 H new ATOM 0 HD11 ILE B 32 0.365 -1.425 -5.275 1.00 0.00 H new ATOM 0 HD12 ILE B 32 1.343 -0.974 -3.858 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -0.371 -0.503 -3.942 1.00 0.00 H new ATOM 1254 N ALA B 33 3.308 4.149 -3.108 1.00 0.00 N ATOM 1255 CA ALA B 33 3.642 5.165 -2.130 1.00 0.00 C ATOM 1256 C ALA B 33 4.300 6.395 -2.768 1.00 0.00 C ATOM 1257 O ALA B 33 4.809 7.240 -2.038 1.00 0.00 O ATOM 1258 CB ALA B 33 4.509 4.548 -1.037 1.00 0.00 C ATOM 0 H ALA B 33 4.030 3.435 -3.211 1.00 0.00 H new ATOM 0 HA ALA B 33 2.719 5.530 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA B 33 4.762 5.310 -0.300 1.00 0.00 H new ATOM 0 HB2 ALA B 33 3.962 3.740 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA B 33 5.424 4.152 -1.478 1.00 0.00 H new ATOM 1264 N HIS B 34 4.309 6.518 -4.100 1.00 0.00 N ATOM 1265 CA HIS B 34 4.907 7.635 -4.832 1.00 0.00 C ATOM 1266 C HIS B 34 6.381 7.791 -4.452 1.00 0.00 C ATOM 1267 O HIS B 34 6.895 8.897 -4.290 1.00 0.00 O ATOM 1268 CB HIS B 34 4.103 8.935 -4.651 1.00 0.00 C ATOM 1269 CG HIS B 34 2.612 8.809 -4.833 1.00 0.00 C ATOM 1270 ND1 HIS B 34 1.678 9.560 -4.164 1.00 0.00 N ATOM 1271 CD2 HIS B 34 1.944 7.944 -5.655 1.00 0.00 C ATOM 1272 CE1 HIS B 34 0.464 9.143 -4.558 1.00 0.00 C ATOM 1273 NE2 HIS B 34 0.573 8.172 -5.484 1.00 0.00 N ATOM 0 H HIS B 34 3.887 5.821 -4.714 1.00 0.00 H new ATOM 0 HA HIS B 34 4.867 7.410 -5.898 1.00 0.00 H new ATOM 0 HB2 HIS B 34 4.297 9.325 -3.652 1.00 0.00 H new ATOM 0 HB3 HIS B 34 4.476 9.674 -5.360 1.00 0.00 H new ATOM 0 HD2 HIS B 34 2.392 7.217 -6.316 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -0.471 9.533 -4.184 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -0.191 7.697 -5.965 1.00 0.00 H new ATOM 1281 N ASN B 35 7.074 6.658 -4.313 1.00 0.00 N ATOM 1282 CA ASN B 35 8.485 6.502 -3.963 1.00 0.00 C ATOM 1283 C ASN B 35 8.767 6.780 -2.481 1.00 0.00 C ATOM 1284 O ASN B 35 9.935 6.811 -2.093 1.00 0.00 O ATOM 1285 CB ASN B 35 9.404 7.357 -4.857 1.00 0.00 C ATOM 1286 CG ASN B 35 9.129 7.226 -6.342 1.00 0.00 C ATOM 1287 OD1 ASN B 35 9.539 6.252 -6.971 1.00 0.00 O ATOM 1288 ND2 ASN B 35 8.425 8.173 -6.940 1.00 0.00 N ATOM 0 H ASN B 35 6.624 5.753 -4.454 1.00 0.00 H new ATOM 0 HA ASN B 35 8.715 5.452 -4.146 1.00 0.00 H new ATOM 0 HB2 ASN B 35 9.298 8.403 -4.571 1.00 0.00 H new ATOM 0 HB3 ASN B 35 10.440 7.077 -4.665 1.00 0.00 H new ATOM 0 HD21 ASN B 35 8.216 8.101 -7.936 1.00 0.00 H new ATOM 0 HD22 ASN B 35 8.092 8.975 -6.405 1.00 0.00 H new ATOM 1295 N ASN B 36 7.751 7.001 -1.645 1.00 0.00 N ATOM 1296 CA ASN B 36 7.925 7.275 -0.220 1.00 0.00 C ATOM 1297 C ASN B 36 8.277 5.967 0.495 1.00 0.00 C ATOM 1298 O ASN B 36 7.387 5.164 0.768 1.00 0.00 O ATOM 1299 CB ASN B 36 6.662 7.944 0.344 1.00 0.00 C ATOM 1300 CG ASN B 36 6.844 8.415 1.780 1.00 0.00 C ATOM 1301 OD1 ASN B 36 7.602 7.841 2.560 1.00 0.00 O ATOM 1302 ND2 ASN B 36 6.143 9.461 2.178 1.00 0.00 N ATOM 0 H ASN B 36 6.775 6.994 -1.942 1.00 0.00 H new ATOM 0 HA ASN B 36 8.745 7.974 -0.057 1.00 0.00 H new ATOM 0 HB2 ASN B 36 6.394 8.795 -0.283 1.00 0.00 H new ATOM 0 HB3 ASN B 36 5.831 7.240 0.298 1.00 0.00 H new ATOM 0 HD21 ASN B 36 6.229 9.797 3.137 1.00 0.00 H new ATOM 0 HD22 ASN B 36 5.516 9.933 1.526 1.00 0.00 H new ATOM 1309 N ILE B 37 9.564 5.733 0.776 1.00 0.00 N ATOM 1310 CA ILE B 37 10.072 4.528 1.443 1.00 0.00 C ATOM 1311 C ILE B 37 9.398 4.282 2.797 1.00 0.00 C ATOM 1312 O ILE B 37 9.111 3.148 3.162 1.00 0.00 O ATOM 1313 CB ILE B 37 11.615 4.620 1.618 1.00 0.00 C ATOM 1314 CG1 ILE B 37 12.258 3.404 2.324 1.00 0.00 C ATOM 1315 CG2 ILE B 37 12.071 5.864 2.402 1.00 0.00 C ATOM 1316 CD1 ILE B 37 12.267 2.159 1.443 1.00 0.00 C ATOM 0 H ILE B 37 10.302 6.396 0.539 1.00 0.00 H new ATOM 0 HA ILE B 37 9.829 3.679 0.804 1.00 0.00 H new ATOM 0 HB ILE B 37 11.954 4.666 0.583 1.00 0.00 H new ATOM 0 HG12 ILE B 37 13.280 3.652 2.609 1.00 0.00 H new ATOM 0 HG13 ILE B 37 11.713 3.191 3.244 1.00 0.00 H new ATOM 0 HG21 ILE B 37 13.158 5.863 2.486 1.00 0.00 H new ATOM 0 HG22 ILE B 37 11.748 6.763 1.877 1.00 0.00 H new ATOM 0 HG23 ILE B 37 11.630 5.848 3.399 1.00 0.00 H new ATOM 0 HD11 ILE B 37 12.729 1.333 1.985 1.00 0.00 H new ATOM 0 HD12 ILE B 37 11.244 1.893 1.179 1.00 0.00 H new ATOM 0 HD13 ILE B 37 12.835 2.360 0.535 1.00 0.00 H new ATOM 1328 N GLU B 38 9.168 5.343 3.562 1.00 0.00 N ATOM 1329 CA GLU B 38 8.580 5.305 4.894 1.00 0.00 C ATOM 1330 C GLU B 38 7.148 4.795 4.820 1.00 0.00 C ATOM 1331 O GLU B 38 6.764 3.887 5.557 1.00 0.00 O ATOM 1332 CB GLU B 38 8.702 6.703 5.534 1.00 0.00 C ATOM 1333 CG GLU B 38 10.162 7.190 5.389 1.00 0.00 C ATOM 1334 CD GLU B 38 10.523 8.477 6.115 1.00 0.00 C ATOM 1335 OE1 GLU B 38 10.085 9.565 5.664 1.00 0.00 O ATOM 1336 OE2 GLU B 38 11.386 8.405 7.018 1.00 0.00 O ATOM 0 H GLU B 38 9.395 6.290 3.259 1.00 0.00 H new ATOM 0 HA GLU B 38 9.116 4.606 5.536 1.00 0.00 H new ATOM 0 HB2 GLU B 38 8.021 7.402 5.048 1.00 0.00 H new ATOM 0 HB3 GLU B 38 8.420 6.663 6.586 1.00 0.00 H new ATOM 0 HG2 GLU B 38 10.822 6.400 5.746 1.00 0.00 H new ATOM 0 HG3 GLU B 38 10.373 7.326 4.328 1.00 0.00 H new ATOM 1343 N MET B 39 6.377 5.367 3.902 1.00 0.00 N ATOM 1344 CA MET B 39 4.995 4.999 3.670 1.00 0.00 C ATOM 1345 C MET B 39 4.961 3.563 3.143 1.00 0.00 C ATOM 1346 O MET B 39 4.199 2.740 3.646 1.00 0.00 O ATOM 1347 CB MET B 39 4.419 6.000 2.670 1.00 0.00 C ATOM 1348 CG MET B 39 2.908 5.933 2.501 1.00 0.00 C ATOM 1349 SD MET B 39 2.344 7.239 1.366 1.00 0.00 S ATOM 1350 CE MET B 39 0.723 7.692 2.036 1.00 0.00 C ATOM 0 H MET B 39 6.706 6.113 3.289 1.00 0.00 H new ATOM 0 HA MET B 39 4.394 5.031 4.579 1.00 0.00 H new ATOM 0 HB2 MET B 39 4.691 7.007 2.987 1.00 0.00 H new ATOM 0 HB3 MET B 39 4.887 5.834 1.700 1.00 0.00 H new ATOM 0 HG2 MET B 39 2.621 4.955 2.113 1.00 0.00 H new ATOM 0 HG3 MET B 39 2.421 6.047 3.469 1.00 0.00 H new ATOM 0 HE1 MET B 39 0.652 8.777 2.114 1.00 0.00 H new ATOM 0 HE2 MET B 39 -0.060 7.324 1.374 1.00 0.00 H new ATOM 0 HE3 MET B 39 0.601 7.248 3.024 1.00 0.00 H new ATOM 1360 N ALA B 40 5.823 3.240 2.172 1.00 0.00 N ATOM 1361 CA ALA B 40 5.921 1.922 1.567 1.00 0.00 C ATOM 1362 C ALA B 40 6.220 0.858 2.628 1.00 0.00 C ATOM 1363 O ALA B 40 5.613 -0.212 2.620 1.00 0.00 O ATOM 1364 CB ALA B 40 7.006 1.942 0.483 1.00 0.00 C ATOM 0 H ALA B 40 6.485 3.910 1.781 1.00 0.00 H new ATOM 0 HA ALA B 40 4.967 1.665 1.108 1.00 0.00 H new ATOM 0 HB1 ALA B 40 7.083 0.955 0.027 1.00 0.00 H new ATOM 0 HB2 ALA B 40 6.745 2.675 -0.280 1.00 0.00 H new ATOM 0 HB3 ALA B 40 7.963 2.210 0.931 1.00 0.00 H new ATOM 1370 N LYS B 41 7.132 1.140 3.564 1.00 0.00 N ATOM 1371 CA LYS B 41 7.473 0.215 4.641 1.00 0.00 C ATOM 1372 C LYS B 41 6.227 -0.091 5.450 1.00 0.00 C ATOM 1373 O LYS B 41 6.009 -1.249 5.801 1.00 0.00 O ATOM 1374 CB LYS B 41 8.518 0.835 5.572 1.00 0.00 C ATOM 1375 CG LYS B 41 9.932 0.634 5.038 1.00 0.00 C ATOM 1376 CD LYS B 41 10.902 1.451 5.889 1.00 0.00 C ATOM 1377 CE LYS B 41 12.330 1.120 5.477 1.00 0.00 C ATOM 1378 NZ LYS B 41 13.167 0.681 6.612 1.00 0.00 N ATOM 0 H LYS B 41 7.653 2.017 3.593 1.00 0.00 H new ATOM 0 HA LYS B 41 7.878 -0.696 4.201 1.00 0.00 H new ATOM 0 HB2 LYS B 41 8.319 1.901 5.686 1.00 0.00 H new ATOM 0 HB3 LYS B 41 8.435 0.388 6.563 1.00 0.00 H new ATOM 0 HG2 LYS B 41 10.200 -0.422 5.069 1.00 0.00 H new ATOM 0 HG3 LYS B 41 9.989 0.947 3.995 1.00 0.00 H new ATOM 0 HD2 LYS B 41 10.711 2.516 5.759 1.00 0.00 H new ATOM 0 HD3 LYS B 41 10.755 1.228 6.946 1.00 0.00 H new ATOM 0 HE2 LYS B 41 12.312 0.336 4.720 1.00 0.00 H new ATOM 0 HE3 LYS B 41 12.783 1.998 5.016 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 14.127 0.469 6.274 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 13.210 1.437 7.325 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 12.754 -0.173 7.038 1.00 0.00 H new ATOM 1392 N ASN B 42 5.428 0.934 5.762 1.00 0.00 N ATOM 1393 CA ASN B 42 4.200 0.762 6.528 1.00 0.00 C ATOM 1394 C ASN B 42 3.249 -0.169 5.770 1.00 0.00 C ATOM 1395 O ASN B 42 2.602 -0.996 6.409 1.00 0.00 O ATOM 1396 CB ASN B 42 3.571 2.116 6.903 1.00 0.00 C ATOM 1397 CG ASN B 42 4.413 2.907 7.907 1.00 0.00 C ATOM 1398 OD1 ASN B 42 5.220 2.335 8.645 1.00 0.00 O ATOM 1399 ND2 ASN B 42 4.225 4.215 7.985 1.00 0.00 N ATOM 0 H ASN B 42 5.617 1.899 5.490 1.00 0.00 H new ATOM 0 HA ASN B 42 4.429 0.284 7.480 1.00 0.00 H new ATOM 0 HB2 ASN B 42 3.438 2.711 6.000 1.00 0.00 H new ATOM 0 HB3 ASN B 42 2.579 1.946 7.322 1.00 0.00 H new ATOM 0 HD21 ASN B 42 4.751 4.766 8.663 1.00 0.00 H new ATOM 0 HD22 ASN B 42 3.554 4.672 7.367 1.00 0.00 H new ATOM 1406 N ILE B 43 3.176 -0.091 4.431 1.00 0.00 N ATOM 1407 CA ILE B 43 2.320 -0.978 3.628 1.00 0.00 C ATOM 1408 C ILE B 43 2.806 -2.408 3.891 1.00 0.00 C ATOM 1409 O ILE B 43 2.043 -3.260 4.352 1.00 0.00 O ATOM 1410 CB ILE B 43 2.349 -0.621 2.119 1.00 0.00 C ATOM 1411 CG1 ILE B 43 1.851 0.818 1.880 1.00 0.00 C ATOM 1412 CG2 ILE B 43 1.489 -1.619 1.331 1.00 0.00 C ATOM 1413 CD1 ILE B 43 1.864 1.284 0.424 1.00 0.00 C ATOM 0 H ILE B 43 3.705 0.584 3.878 1.00 0.00 H new ATOM 0 HA ILE B 43 1.276 -0.865 3.919 1.00 0.00 H new ATOM 0 HB ILE B 43 3.380 -0.682 1.771 1.00 0.00 H new ATOM 0 HG12 ILE B 43 0.833 0.900 2.261 1.00 0.00 H new ATOM 0 HG13 ILE B 43 2.467 1.499 2.467 1.00 0.00 H new ATOM 0 HG21 ILE B 43 1.513 -1.363 0.272 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.881 -2.626 1.470 1.00 0.00 H new ATOM 0 HG23 ILE B 43 0.461 -1.577 1.691 1.00 0.00 H new ATOM 0 HD11 ILE B 43 1.495 2.308 0.366 1.00 0.00 H new ATOM 0 HD12 ILE B 43 2.882 1.243 0.038 1.00 0.00 H new ATOM 0 HD13 ILE B 43 1.223 0.634 -0.172 1.00 0.00 H new ATOM 1425 N LEU B 44 4.104 -2.639 3.669 1.00 0.00 N ATOM 1426 CA LEU B 44 4.771 -3.923 3.863 1.00 0.00 C ATOM 1427 C LEU B 44 4.730 -4.392 5.324 1.00 0.00 C ATOM 1428 O LEU B 44 5.227 -5.473 5.623 1.00 0.00 O ATOM 1429 CB LEU B 44 6.240 -3.823 3.399 1.00 0.00 C ATOM 1430 CG LEU B 44 6.467 -3.544 1.902 1.00 0.00 C ATOM 1431 CD1 LEU B 44 7.931 -3.153 1.682 1.00 0.00 C ATOM 1432 CD2 LEU B 44 6.155 -4.755 1.019 1.00 0.00 C ATOM 0 H LEU B 44 4.737 -1.911 3.338 1.00 0.00 H new ATOM 0 HA LEU B 44 4.232 -4.659 3.266 1.00 0.00 H new ATOM 0 HB2 LEU B 44 6.726 -3.033 3.971 1.00 0.00 H new ATOM 0 HB3 LEU B 44 6.743 -4.756 3.653 1.00 0.00 H new ATOM 0 HG LEU B 44 5.788 -2.739 1.619 1.00 0.00 H new ATOM 0 HD11 LEU B 44 8.099 -2.954 0.624 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.159 -2.258 2.260 1.00 0.00 H new ATOM 0 HD13 LEU B 44 8.578 -3.969 2.005 1.00 0.00 H new ATOM 0 HD21 LEU B 44 6.333 -4.499 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU B 44 6.798 -5.588 1.303 1.00 0.00 H new ATOM 0 HD23 LEU B 44 5.111 -5.041 1.150 1.00 0.00 H new ATOM 1444 N ARG B 45 4.238 -3.582 6.268 1.00 0.00 N ATOM 1445 CA ARG B 45 4.165 -3.918 7.686 1.00 0.00 C ATOM 1446 C ARG B 45 2.793 -4.452 8.081 1.00 0.00 C ATOM 1447 O ARG B 45 2.691 -5.140 9.093 1.00 0.00 O ATOM 1448 CB ARG B 45 4.473 -2.655 8.511 1.00 0.00 C ATOM 1449 CG ARG B 45 5.106 -2.962 9.867 1.00 0.00 C ATOM 1450 CD ARG B 45 6.615 -3.215 9.756 1.00 0.00 C ATOM 1451 NE ARG B 45 7.187 -3.600 11.054 1.00 0.00 N ATOM 1452 CZ ARG B 45 7.879 -2.838 11.907 1.00 0.00 C ATOM 1453 NH1 ARG B 45 8.357 -1.650 11.542 1.00 0.00 N ATOM 1454 NH2 ARG B 45 8.092 -3.290 13.135 1.00 0.00 N ATOM 0 H ARG B 45 3.872 -2.654 6.058 1.00 0.00 H new ATOM 0 HA ARG B 45 4.894 -4.704 7.884 1.00 0.00 H new ATOM 0 HB2 ARG B 45 5.144 -2.011 7.942 1.00 0.00 H new ATOM 0 HB3 ARG B 45 3.550 -2.096 8.666 1.00 0.00 H new ATOM 0 HG2 ARG B 45 4.928 -2.129 10.547 1.00 0.00 H new ATOM 0 HG3 ARG B 45 4.623 -3.837 10.302 1.00 0.00 H new ATOM 0 HD2 ARG B 45 6.801 -4.002 9.026 1.00 0.00 H new ATOM 0 HD3 ARG B 45 7.111 -2.316 9.389 1.00 0.00 H new ATOM 0 HE ARG B 45 7.038 -4.568 11.339 1.00 0.00 H new ATOM 0 HH11 ARG B 45 8.198 -1.305 10.595 1.00 0.00 H new ATOM 0 HH12 ARG B 45 8.882 -1.085 12.209 1.00 0.00 H new ATOM 0 HH21 ARG B 45 7.730 -4.203 13.412 1.00 0.00 H new ATOM 0 HH22 ARG B 45 8.618 -2.725 13.802 1.00 0.00 H new ATOM 1468 N GLU B 46 1.754 -4.164 7.298 1.00 0.00 N ATOM 1469 CA GLU B 46 0.386 -4.591 7.584 1.00 0.00 C ATOM 1470 C GLU B 46 -0.280 -5.389 6.458 1.00 0.00 C ATOM 1471 O GLU B 46 -1.384 -5.895 6.679 1.00 0.00 O ATOM 1472 CB GLU B 46 -0.439 -3.357 7.957 1.00 0.00 C ATOM 1473 CG GLU B 46 -0.102 -2.772 9.337 1.00 0.00 C ATOM 1474 CD GLU B 46 -0.492 -3.679 10.513 1.00 0.00 C ATOM 1475 OE1 GLU B 46 -1.657 -4.131 10.610 1.00 0.00 O ATOM 1476 OE2 GLU B 46 0.356 -3.905 11.411 1.00 0.00 O ATOM 0 H GLU B 46 1.840 -3.622 6.438 1.00 0.00 H new ATOM 0 HA GLU B 46 0.432 -5.292 8.417 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -0.285 -2.588 7.200 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -1.497 -3.619 7.934 1.00 0.00 H new ATOM 0 HG2 GLU B 46 0.969 -2.574 9.384 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -0.609 -1.813 9.447 1.00 0.00 H new ATOM 1483 N PHE B 47 0.339 -5.518 5.282 1.00 0.00 N ATOM 1484 CA PHE B 47 -0.200 -6.293 4.165 1.00 0.00 C ATOM 1485 C PHE B 47 0.771 -7.450 3.952 1.00 0.00 C ATOM 1486 O PHE B 47 0.456 -8.582 4.322 1.00 0.00 O ATOM 1487 CB PHE B 47 -0.492 -5.429 2.932 1.00 0.00 C ATOM 1488 CG PHE B 47 -1.801 -4.682 3.064 1.00 0.00 C ATOM 1489 CD1 PHE B 47 -1.833 -3.438 3.728 1.00 0.00 C ATOM 1490 CD2 PHE B 47 -3.001 -5.256 2.586 1.00 0.00 C ATOM 1491 CE1 PHE B 47 -3.055 -2.780 3.923 1.00 0.00 C ATOM 1492 CE2 PHE B 47 -4.220 -4.606 2.812 1.00 0.00 C ATOM 1493 CZ PHE B 47 -4.244 -3.377 3.486 1.00 0.00 C ATOM 0 H PHE B 47 1.238 -5.082 5.078 1.00 0.00 H new ATOM 0 HA PHE B 47 -1.188 -6.699 4.383 1.00 0.00 H new ATOM 0 HB2 PHE B 47 0.320 -4.716 2.788 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -0.523 -6.061 2.045 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -0.916 -2.993 4.086 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.977 -6.192 2.048 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -3.080 -1.816 4.409 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -5.142 -5.051 2.467 1.00 0.00 H new ATOM 0 HZ PHE B 47 -5.188 -2.886 3.670 1.00 0.00 H new ATOM 1503 N SER B 48 1.945 -7.186 3.376 1.00 0.00 N ATOM 1504 CA SER B 48 2.971 -8.207 3.168 1.00 0.00 C ATOM 1505 C SER B 48 3.485 -8.659 4.551 1.00 0.00 C ATOM 1506 O SER B 48 3.155 -8.048 5.575 1.00 0.00 O ATOM 1507 CB SER B 48 4.077 -7.623 2.278 1.00 0.00 C ATOM 1508 OG SER B 48 3.665 -7.561 0.929 1.00 0.00 O ATOM 0 H SER B 48 2.210 -6.260 3.041 1.00 0.00 H new ATOM 0 HA SER B 48 2.578 -9.085 2.655 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.340 -6.624 2.627 1.00 0.00 H new ATOM 0 HB3 SER B 48 4.975 -8.236 2.359 1.00 0.00 H new ATOM 0 HG SER B 48 3.196 -6.715 0.769 1.00 0.00 H new