USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 803 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 80 SER OG : rot 180:sc= 0.276 USER MOD Set 1.2: A 82 ASN : amide:sc= 0 X(o=0.28,f=0.28) USER MOD Set 2.1: A 75 MET CE :methyl 179:sc= -4.21 (180deg=-3.01) USER MOD Set 2.2: A 110 ASN : amide:sc= -2.03 K(o=-6.2,f=-6.8!) USER MOD Set 3.1: A 16 HIS : no HE2:sc= -2.37! C(o=-1.6!,f=-19!) USER MOD Set 3.2: A 60 SER OG : rot -91:sc= 0.705 USER MOD Set 3.3: A 90 THR OG1 : rot 110:sc= -2.23! USER MOD Set 3.4: A 92 SER OG : rot -155:sc= 0.921! USER MOD Set 3.5: A 105 THR OG1 : rot 154:sc= 1.38 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -135:sc= -2.7! USER MOD Single : A 17 ASN : amide:sc= -4.05 K(o=-4.1,f=-17!) USER MOD Single : A 23 THR OG1 : rot -120:sc= 1.22 USER MOD Single : A 27 HIS : no HD1:sc= -0.255 X(o=-0.26,f=-0.27) USER MOD Single : A 29 CYS SG : rot 72:sc= -1.59 USER MOD Single : A 32 THR OG1 : rot 63:sc= 0.623 USER MOD Single : A 35 TYR OH : rot 106:sc= 0.912 USER MOD Single : A 36 GLN :FLIP amide:sc= 0.554 F(o=0,f=0.55) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN :FLIP amide:sc= -5.64! C(o=-6.3!,f=-5.6!) USER MOD Single : A 49 CYS SG : rot -55:sc= -4.05! USER MOD Single : A 50 HIS : no HD1:sc= -1.01 K(o=-1,f=-5.7!) USER MOD Single : A 54 GLN : amide:sc= -6.55! C(o=-6.6!,f=-7.6!) USER MOD Single : A 55 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.15) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.434 F(o=-1.6!,f=-0.43) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0934 F(o=-1.2,f=-0.093) USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= -0.0194 (180deg=-0.269) USER MOD Single : A 68 LYS NZ :NH3+ -126:sc= -0.0647 (180deg=-1.82!) USER MOD Single : A 70 GLN : amide:sc= -0.115 K(o=-0.11,f=-1) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -165:sc= -0.035 (180deg=-0.25) USER MOD Single : A 83 GLN :FLIP amide:sc= 0.425 F(o=-2.8!,f=0.42) USER MOD Single : A 88 MET CE :methyl 143:sc= -8.5! (180deg=-11.1!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -1.72 F(o=-4.1!,f=-1.7) USER MOD Single : A 94 THR OG1 : rot 18:sc= -0.0829 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.0302 F(o=-1.5!,f=-0.03) USER MOD Single : A 108 CYS SG : rot 43:sc= 1.14 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 90 N GLN A 8 -14.075 -7.451 5.844 1.00 0.00 N ATOM 91 CA GLN A 8 -13.608 -6.069 5.853 1.00 0.00 C ATOM 92 C GLN A 8 -12.091 -5.999 6.024 1.00 0.00 C ATOM 93 O GLN A 8 -11.479 -6.906 6.587 1.00 0.00 O ATOM 94 CB GLN A 8 -14.295 -5.280 6.964 1.00 0.00 C ATOM 95 CG GLN A 8 -15.810 -5.244 6.838 1.00 0.00 C ATOM 96 CD GLN A 8 -16.472 -4.467 7.958 1.00 0.00 C ATOM 97 OE1 GLN A 8 -15.888 -3.540 8.517 1.00 0.00 O ATOM 98 NE2 GLN A 8 -17.704 -4.840 8.287 1.00 0.00 N ATOM 0 HA GLN A 8 -13.865 -5.625 4.891 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.029 -5.717 7.926 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.914 -4.259 6.962 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.080 -4.796 5.882 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -16.194 -6.264 6.832 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.150 -5.615 7.796 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -18.203 -4.351 9.030 1.00 0.00 H new ATOM 107 N PRO A 9 -11.466 -4.911 5.533 1.00 0.00 N ATOM 108 CA PRO A 9 -10.021 -4.716 5.614 1.00 0.00 C ATOM 109 C PRO A 9 -9.564 -4.026 6.895 1.00 0.00 C ATOM 110 O PRO A 9 -10.269 -4.007 7.903 1.00 0.00 O ATOM 111 CB PRO A 9 -9.760 -3.801 4.431 1.00 0.00 C ATOM 112 CG PRO A 9 -10.957 -2.923 4.402 1.00 0.00 C ATOM 113 CD PRO A 9 -12.118 -3.784 4.839 1.00 0.00 C ATOM 0 HA PRO A 9 -9.487 -5.666 5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.843 -3.226 4.563 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.653 -4.364 3.504 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.831 -2.070 5.069 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.123 -2.523 3.402 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.794 -3.242 5.500 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.709 -4.124 3.988 1.00 0.00 H new ATOM 121 N THR A 10 -8.367 -3.452 6.812 1.00 0.00 N ATOM 122 CA THR A 10 -7.736 -2.737 7.915 1.00 0.00 C ATOM 123 C THR A 10 -6.323 -2.352 7.502 1.00 0.00 C ATOM 124 O THR A 10 -5.865 -1.234 7.727 1.00 0.00 O ATOM 125 CB THR A 10 -7.678 -3.590 9.199 1.00 0.00 C ATOM 126 OG1 THR A 10 -6.885 -2.931 10.194 1.00 0.00 O ATOM 127 CG2 THR A 10 -7.103 -4.964 8.911 1.00 0.00 C ATOM 0 H THR A 10 -7.801 -3.471 5.964 1.00 0.00 H new ATOM 0 HA THR A 10 -8.333 -1.852 8.134 1.00 0.00 H new ATOM 0 HB THR A 10 -8.695 -3.712 9.572 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.856 -3.480 11.005 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.073 -5.546 9.832 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.729 -5.475 8.180 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.093 -4.860 8.514 1.00 0.00 H new ATOM 135 N GLU A 11 -5.650 -3.316 6.888 1.00 0.00 N ATOM 136 CA GLU A 11 -4.295 -3.158 6.384 1.00 0.00 C ATOM 137 C GLU A 11 -3.957 -4.347 5.514 1.00 0.00 C ATOM 138 O GLU A 11 -4.269 -5.486 5.864 1.00 0.00 O ATOM 139 CB GLU A 11 -3.286 -3.044 7.519 1.00 0.00 C ATOM 140 CG GLU A 11 -3.312 -4.226 8.466 1.00 0.00 C ATOM 141 CD GLU A 11 -2.271 -4.125 9.563 1.00 0.00 C ATOM 142 OE1 GLU A 11 -2.535 -3.436 10.571 1.00 0.00 O ATOM 143 OE2 GLU A 11 -1.192 -4.737 9.415 1.00 0.00 O ATOM 0 H GLU A 11 -6.038 -4.245 6.724 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.244 -2.236 5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.285 -2.947 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.485 -2.132 8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.301 -4.302 8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.148 -5.143 7.900 1.00 0.00 H new ATOM 150 N PHE A 12 -3.327 -4.095 4.385 1.00 0.00 N ATOM 151 CA PHE A 12 -2.970 -5.183 3.496 1.00 0.00 C ATOM 152 C PHE A 12 -1.481 -5.169 3.217 1.00 0.00 C ATOM 153 O PHE A 12 -0.909 -4.146 2.839 1.00 0.00 O ATOM 154 CB PHE A 12 -3.801 -5.153 2.204 1.00 0.00 C ATOM 155 CG PHE A 12 -3.395 -4.126 1.185 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.412 -4.413 0.253 1.00 0.00 C ATOM 157 CD2 PHE A 12 -4.021 -2.890 1.136 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.058 -3.486 -0.708 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.674 -1.961 0.174 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.690 -2.262 -0.750 1.00 0.00 C ATOM 0 H PHE A 12 -3.055 -3.165 4.065 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.206 -6.124 3.993 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.750 -6.138 1.739 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.844 -4.980 2.470 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.917 -5.372 0.278 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.788 -2.651 1.858 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.286 -3.720 -1.426 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.170 -1.002 0.144 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.417 -1.538 -1.504 1.00 0.00 H new ATOM 170 N ILE A 13 -0.858 -6.317 3.425 1.00 0.00 N ATOM 171 CA ILE A 13 0.570 -6.454 3.232 1.00 0.00 C ATOM 172 C ILE A 13 0.926 -6.663 1.773 1.00 0.00 C ATOM 173 O ILE A 13 0.727 -7.743 1.223 1.00 0.00 O ATOM 174 CB ILE A 13 1.137 -7.629 4.040 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.712 -7.529 5.505 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.649 -7.652 3.915 1.00 0.00 C ATOM 177 CD1 ILE A 13 0.508 -8.876 6.161 1.00 0.00 C ATOM 0 H ILE A 13 -1.325 -7.171 3.730 1.00 0.00 H new ATOM 0 HA ILE A 13 1.011 -5.520 3.581 1.00 0.00 H new ATOM 0 HB ILE A 13 0.738 -8.561 3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.469 -6.974 6.059 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.214 -6.957 5.570 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.049 -8.487 4.490 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.926 -7.767 2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.060 -6.718 4.298 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.208 -8.733 7.199 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.270 -9.425 5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.439 -9.442 6.127 1.00 0.00 H new ATOM 189 N SER A 14 1.454 -5.626 1.150 1.00 0.00 N ATOM 190 CA SER A 14 1.867 -5.716 -0.234 1.00 0.00 C ATOM 191 C SER A 14 3.364 -5.520 -0.318 1.00 0.00 C ATOM 192 O SER A 14 3.905 -4.534 0.181 1.00 0.00 O ATOM 193 CB SER A 14 1.151 -4.667 -1.079 1.00 0.00 C ATOM 194 OG SER A 14 0.979 -5.118 -2.408 1.00 0.00 O ATOM 0 H SER A 14 1.606 -4.714 1.581 1.00 0.00 H new ATOM 0 HA SER A 14 1.604 -6.700 -0.622 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.180 -4.442 -0.639 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.724 -3.740 -1.077 1.00 0.00 H new ATOM 0 HG SER A 14 1.214 -4.398 -3.031 1.00 0.00 H new ATOM 200 N ARG A 15 4.026 -6.465 -0.951 1.00 0.00 N ATOM 201 CA ARG A 15 5.456 -6.399 -1.117 1.00 0.00 C ATOM 202 C ARG A 15 5.763 -5.777 -2.454 1.00 0.00 C ATOM 203 O ARG A 15 4.946 -5.840 -3.370 1.00 0.00 O ATOM 204 CB ARG A 15 6.078 -7.786 -1.005 1.00 0.00 C ATOM 205 CG ARG A 15 6.279 -8.236 0.430 1.00 0.00 C ATOM 206 CD ARG A 15 6.900 -9.618 0.501 1.00 0.00 C ATOM 207 NE ARG A 15 5.966 -10.660 0.084 1.00 0.00 N ATOM 208 CZ ARG A 15 5.566 -11.653 0.873 1.00 0.00 C ATOM 209 NH1 ARG A 15 6.009 -11.732 2.122 1.00 0.00 N ATOM 210 NH2 ARG A 15 4.720 -12.565 0.417 1.00 0.00 N ATOM 0 H ARG A 15 3.590 -7.292 -1.360 1.00 0.00 H new ATOM 0 HA ARG A 15 5.886 -5.785 -0.326 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.441 -8.506 -1.519 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.040 -7.789 -1.518 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.918 -7.522 0.949 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.320 -8.241 0.948 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.786 -9.650 -0.133 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.231 -9.815 1.521 1.00 0.00 H new ATOM 0 HE ARG A 15 5.599 -10.624 -0.867 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.658 -11.030 2.478 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.701 -12.495 2.725 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.374 -12.506 -0.541 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.414 -13.326 1.024 1.00 0.00 H new ATOM 224 N HIS A 16 6.925 -5.169 -2.571 1.00 0.00 N ATOM 225 CA HIS A 16 7.293 -4.514 -3.807 1.00 0.00 C ATOM 226 C HIS A 16 8.772 -4.173 -3.831 1.00 0.00 C ATOM 227 O HIS A 16 9.494 -4.409 -2.864 1.00 0.00 O ATOM 228 CB HIS A 16 6.479 -3.232 -3.945 1.00 0.00 C ATOM 229 CG HIS A 16 6.698 -2.289 -2.805 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.935 -1.761 -2.506 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.847 -1.801 -1.871 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.838 -0.991 -1.444 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.581 -0.996 -1.039 1.00 0.00 N ATOM 0 H HIS A 16 7.625 -5.115 -1.831 1.00 0.00 H new ATOM 0 HA HIS A 16 7.087 -5.192 -4.635 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.744 -2.736 -4.879 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.420 -3.483 -4.007 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.793 -1.940 -3.028 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.790 -2.007 -1.796 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.649 -0.447 -0.982 1.00 0.00 H new ATOM 242 N ASN A 17 9.213 -3.616 -4.948 1.00 0.00 N ATOM 243 CA ASN A 17 10.596 -3.199 -5.095 1.00 0.00 C ATOM 244 C ASN A 17 10.716 -1.743 -4.668 1.00 0.00 C ATOM 245 O ASN A 17 9.713 -1.117 -4.335 1.00 0.00 O ATOM 246 CB ASN A 17 11.065 -3.377 -6.540 1.00 0.00 C ATOM 247 CG ASN A 17 10.122 -2.733 -7.538 1.00 0.00 C ATOM 248 OD1 ASN A 17 9.380 -1.813 -7.202 1.00 0.00 O ATOM 249 ND2 ASN A 17 10.158 -3.207 -8.777 1.00 0.00 N ATOM 0 H ASN A 17 8.631 -3.443 -5.767 1.00 0.00 H new ATOM 0 HA ASN A 17 11.232 -3.819 -4.464 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.059 -2.944 -6.652 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.153 -4.441 -6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.554 -2.806 -9.494 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.790 -3.972 -9.012 1.00 0.00 H new ATOM 256 N ILE A 18 11.921 -1.198 -4.672 1.00 0.00 N ATOM 257 CA ILE A 18 12.104 0.189 -4.269 1.00 0.00 C ATOM 258 C ILE A 18 11.152 1.111 -5.030 1.00 0.00 C ATOM 259 O ILE A 18 10.617 2.069 -4.470 1.00 0.00 O ATOM 260 CB ILE A 18 13.544 0.666 -4.497 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.709 2.094 -3.972 1.00 0.00 C ATOM 262 CG2 ILE A 18 13.890 0.577 -5.973 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.384 2.243 -2.503 1.00 0.00 C ATOM 0 H ILE A 18 12.775 -1.684 -4.945 1.00 0.00 H new ATOM 0 HA ILE A 18 11.884 0.233 -3.202 1.00 0.00 H new ATOM 0 HB ILE A 18 14.232 0.023 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.736 2.418 -4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.065 2.760 -4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.914 0.917 -6.128 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.797 -0.456 -6.307 1.00 0.00 H new ATOM 0 HG23 ILE A 18 13.208 1.206 -6.545 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.524 3.282 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.349 1.951 -2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.045 1.604 -1.917 1.00 0.00 H new ATOM 275 N GLU A 19 10.944 0.809 -6.310 1.00 0.00 N ATOM 276 CA GLU A 19 10.047 1.603 -7.152 1.00 0.00 C ATOM 277 C GLU A 19 8.656 1.612 -6.556 1.00 0.00 C ATOM 278 O GLU A 19 7.923 2.597 -6.645 1.00 0.00 O ATOM 279 CB GLU A 19 9.946 1.011 -8.560 1.00 0.00 C ATOM 280 CG GLU A 19 11.136 1.281 -9.456 1.00 0.00 C ATOM 281 CD GLU A 19 11.462 2.757 -9.573 1.00 0.00 C ATOM 282 OE1 GLU A 19 10.900 3.419 -10.472 1.00 0.00 O ATOM 283 OE2 GLU A 19 12.279 3.251 -8.769 1.00 0.00 O ATOM 0 H GLU A 19 11.383 0.022 -6.788 1.00 0.00 H new ATOM 0 HA GLU A 19 10.454 2.613 -7.206 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.812 -0.067 -8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.051 1.407 -9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.006 0.752 -9.066 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.936 0.878 -10.449 1.00 0.00 H new ATOM 290 N GLY A 20 8.314 0.495 -5.941 1.00 0.00 N ATOM 291 CA GLY A 20 7.009 0.339 -5.348 1.00 0.00 C ATOM 292 C GLY A 20 6.204 -0.723 -6.065 1.00 0.00 C ATOM 293 O GLY A 20 5.112 -1.085 -5.629 1.00 0.00 O ATOM 0 H GLY A 20 8.926 -0.315 -5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.114 0.071 -4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.475 1.289 -5.383 1.00 0.00 H new ATOM 297 N ILE A 21 6.749 -1.222 -7.175 1.00 0.00 N ATOM 298 CA ILE A 21 6.091 -2.253 -7.952 1.00 0.00 C ATOM 299 C ILE A 21 5.780 -3.459 -7.089 1.00 0.00 C ATOM 300 O ILE A 21 6.679 -4.150 -6.619 1.00 0.00 O ATOM 301 CB ILE A 21 6.960 -2.710 -9.117 1.00 0.00 C ATOM 302 CG1 ILE A 21 7.566 -1.494 -9.836 1.00 0.00 C ATOM 303 CG2 ILE A 21 6.122 -3.576 -10.042 1.00 0.00 C ATOM 304 CD1 ILE A 21 6.582 -0.692 -10.659 1.00 0.00 C ATOM 0 H ILE A 21 7.649 -0.922 -7.551 1.00 0.00 H new ATOM 0 HA ILE A 21 5.168 -1.820 -8.336 1.00 0.00 H new ATOM 0 HB ILE A 21 7.797 -3.309 -8.758 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.018 -0.837 -9.093 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.369 -1.837 -10.488 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.733 -3.910 -10.881 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.753 -4.443 -9.494 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.277 -2.997 -10.416 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.098 0.145 -11.129 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.148 -1.329 -11.429 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.790 -0.313 -10.012 1.00 0.00 H new ATOM 316 N PHE A 22 4.500 -3.728 -6.935 1.00 0.00 N ATOM 317 CA PHE A 22 4.036 -4.815 -6.096 1.00 0.00 C ATOM 318 C PHE A 22 4.485 -6.189 -6.576 1.00 0.00 C ATOM 319 O PHE A 22 3.940 -6.735 -7.532 1.00 0.00 O ATOM 320 CB PHE A 22 2.522 -4.782 -6.036 1.00 0.00 C ATOM 321 CG PHE A 22 1.965 -3.682 -5.176 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.571 -3.321 -3.981 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.823 -3.015 -5.565 1.00 0.00 C ATOM 324 CE1 PHE A 22 2.036 -2.311 -3.201 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.285 -2.013 -4.793 1.00 0.00 C ATOM 326 CZ PHE A 22 0.889 -1.659 -3.611 1.00 0.00 C ATOM 0 H PHE A 22 3.753 -3.201 -7.387 1.00 0.00 H new ATOM 0 HA PHE A 22 4.479 -4.665 -5.111 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.131 -4.671 -7.048 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.163 -5.740 -5.659 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.466 -3.832 -3.658 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.342 -3.285 -6.494 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.514 -2.033 -2.273 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.612 -1.505 -5.115 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.468 -0.872 -3.003 1.00 0.00 H new ATOM 336 N THR A 23 5.472 -6.745 -5.897 1.00 0.00 N ATOM 337 CA THR A 23 5.947 -8.078 -6.213 1.00 0.00 C ATOM 338 C THR A 23 5.078 -9.087 -5.465 1.00 0.00 C ATOM 339 O THR A 23 5.256 -10.300 -5.570 1.00 0.00 O ATOM 340 CB THR A 23 7.424 -8.251 -5.831 1.00 0.00 C ATOM 341 OG1 THR A 23 7.591 -8.077 -4.419 1.00 0.00 O ATOM 342 CG2 THR A 23 8.276 -7.237 -6.583 1.00 0.00 C ATOM 0 H THR A 23 5.960 -6.293 -5.123 1.00 0.00 H new ATOM 0 HA THR A 23 5.873 -8.242 -7.288 1.00 0.00 H new ATOM 0 HB THR A 23 7.744 -9.257 -6.103 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.203 -7.330 -4.252 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.323 -7.365 -6.307 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.162 -7.391 -7.656 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.954 -6.228 -6.325 1.00 0.00 H new ATOM 350 N PHE A 24 4.130 -8.533 -4.704 1.00 0.00 N ATOM 351 CA PHE A 24 3.170 -9.302 -3.920 1.00 0.00 C ATOM 352 C PHE A 24 2.142 -8.359 -3.306 1.00 0.00 C ATOM 353 O PHE A 24 2.449 -7.212 -3.000 1.00 0.00 O ATOM 354 CB PHE A 24 3.854 -10.106 -2.808 1.00 0.00 C ATOM 355 CG PHE A 24 2.886 -10.629 -1.772 1.00 0.00 C ATOM 356 CD1 PHE A 24 2.261 -11.854 -1.946 1.00 0.00 C ATOM 357 CD2 PHE A 24 2.586 -9.885 -0.635 1.00 0.00 C ATOM 358 CE1 PHE A 24 1.360 -12.328 -1.008 1.00 0.00 C ATOM 359 CE2 PHE A 24 1.683 -10.354 0.300 1.00 0.00 C ATOM 360 CZ PHE A 24 1.071 -11.576 0.115 1.00 0.00 C ATOM 0 H PHE A 24 4.009 -7.524 -4.617 1.00 0.00 H new ATOM 0 HA PHE A 24 2.682 -10.008 -4.591 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.390 -10.945 -3.252 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.597 -9.477 -2.317 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.479 -12.445 -2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.065 -8.929 -0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.883 -13.286 -1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.457 -9.764 1.176 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.367 -11.945 0.846 1.00 0.00 H new ATOM 370 N VAL A 25 0.914 -8.835 -3.167 1.00 0.00 N ATOM 371 CA VAL A 25 -0.153 -8.052 -2.564 1.00 0.00 C ATOM 372 C VAL A 25 -1.082 -8.959 -1.785 1.00 0.00 C ATOM 373 O VAL A 25 -1.589 -9.951 -2.303 1.00 0.00 O ATOM 374 CB VAL A 25 -0.984 -7.269 -3.603 1.00 0.00 C ATOM 375 CG1 VAL A 25 -1.779 -6.166 -2.930 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.108 -6.697 -4.698 1.00 0.00 C ATOM 0 H VAL A 25 0.631 -9.768 -3.467 1.00 0.00 H new ATOM 0 HA VAL A 25 0.327 -7.328 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.679 -7.970 -4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.358 -5.626 -3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.455 -6.602 -2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.096 -5.477 -2.433 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.726 -6.152 -5.411 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.625 -6.019 -4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.409 -7.508 -5.211 1.00 0.00 H new ATOM 386 N ASP A 26 -1.271 -8.623 -0.529 1.00 0.00 N ATOM 387 CA ASP A 26 -2.150 -9.378 0.338 1.00 0.00 C ATOM 388 C ASP A 26 -3.599 -9.111 -0.075 1.00 0.00 C ATOM 389 O ASP A 26 -4.000 -7.960 -0.226 1.00 0.00 O ATOM 390 CB ASP A 26 -1.872 -8.976 1.782 1.00 0.00 C ATOM 391 CG ASP A 26 -3.004 -9.322 2.728 1.00 0.00 C ATOM 392 OD1 ASP A 26 -3.562 -10.433 2.605 1.00 0.00 O ATOM 393 OD2 ASP A 26 -3.325 -8.487 3.598 1.00 0.00 O ATOM 0 H ASP A 26 -0.823 -7.824 -0.081 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.974 -10.450 0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.961 -9.470 2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.688 -7.903 1.824 1.00 0.00 H new ATOM 398 N HIS A 27 -4.373 -10.181 -0.268 1.00 0.00 N ATOM 399 CA HIS A 27 -5.755 -10.078 -0.723 1.00 0.00 C ATOM 400 C HIS A 27 -6.608 -9.107 0.085 1.00 0.00 C ATOM 401 O HIS A 27 -7.709 -8.764 -0.334 1.00 0.00 O ATOM 402 CB HIS A 27 -6.395 -11.455 -0.751 1.00 0.00 C ATOM 403 CG HIS A 27 -5.971 -12.349 0.373 1.00 0.00 C ATOM 404 ND1 HIS A 27 -5.303 -13.539 0.177 1.00 0.00 N ATOM 405 CD2 HIS A 27 -6.123 -12.222 1.715 1.00 0.00 C ATOM 406 CE1 HIS A 27 -5.064 -14.106 1.345 1.00 0.00 C ATOM 407 NE2 HIS A 27 -5.550 -13.328 2.293 1.00 0.00 N ATOM 0 H HIS A 27 -4.058 -11.139 -0.113 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.714 -9.662 -1.730 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.479 -11.341 -0.721 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.151 -11.938 -1.697 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.604 -11.405 2.232 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.557 -15.047 1.498 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.507 -13.517 3.294 1.00 0.00 H new ATOM 416 N ARG A 28 -6.131 -8.669 1.237 1.00 0.00 N ATOM 417 CA ARG A 28 -6.888 -7.705 2.022 1.00 0.00 C ATOM 418 C ARG A 28 -7.094 -6.453 1.179 1.00 0.00 C ATOM 419 O ARG A 28 -8.046 -5.697 1.368 1.00 0.00 O ATOM 420 CB ARG A 28 -6.158 -7.366 3.316 1.00 0.00 C ATOM 421 CG ARG A 28 -6.390 -8.383 4.417 1.00 0.00 C ATOM 422 CD ARG A 28 -7.680 -8.102 5.171 1.00 0.00 C ATOM 423 NE ARG A 28 -7.855 -9.006 6.304 1.00 0.00 N ATOM 424 CZ ARG A 28 -8.449 -8.657 7.442 1.00 0.00 C ATOM 425 NH1 ARG A 28 -8.930 -7.430 7.593 1.00 0.00 N ATOM 426 NH2 ARG A 28 -8.562 -9.535 8.430 1.00 0.00 N ATOM 0 H ARG A 28 -5.242 -8.957 1.645 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.853 -8.132 2.294 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.089 -7.295 3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.483 -6.385 3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.429 -9.384 3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.550 -8.367 5.112 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.676 -7.071 5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.527 -8.202 4.492 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.502 -9.959 6.218 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.845 -6.752 6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.385 -7.165 8.466 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.193 -10.479 8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.018 -9.266 9.302 1.00 0.00 H new ATOM 440 N CYS A 29 -6.175 -6.275 0.237 1.00 0.00 N ATOM 441 CA CYS A 29 -6.159 -5.147 -0.674 1.00 0.00 C ATOM 442 C CYS A 29 -7.467 -4.968 -1.442 1.00 0.00 C ATOM 443 O CYS A 29 -7.787 -3.862 -1.854 1.00 0.00 O ATOM 444 CB CYS A 29 -5.019 -5.341 -1.666 1.00 0.00 C ATOM 445 SG CYS A 29 -5.217 -6.781 -2.738 1.00 0.00 S ATOM 0 H CYS A 29 -5.406 -6.927 0.086 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.023 -4.247 -0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -4.934 -4.448 -2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.083 -5.437 -1.115 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.158 -6.550 -3.605 1.00 0.00 H new ATOM 451 N VAL A 30 -8.215 -6.039 -1.667 1.00 0.00 N ATOM 452 CA VAL A 30 -9.466 -5.904 -2.402 1.00 0.00 C ATOM 453 C VAL A 30 -10.543 -5.297 -1.503 1.00 0.00 C ATOM 454 O VAL A 30 -11.433 -4.597 -1.968 1.00 0.00 O ATOM 455 CB VAL A 30 -9.949 -7.242 -3.015 1.00 0.00 C ATOM 456 CG1 VAL A 30 -8.878 -8.319 -2.914 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.241 -7.698 -2.370 1.00 0.00 C ATOM 0 H VAL A 30 -7.988 -6.985 -1.362 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.276 -5.232 -3.239 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.142 -7.069 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.250 -9.244 -3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.985 -7.996 -3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.630 -8.489 -1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -11.559 -8.639 -2.818 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.084 -7.840 -1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.012 -6.943 -2.526 1.00 0.00 H new ATOM 467 N ALA A 31 -10.486 -5.601 -0.216 1.00 0.00 N ATOM 468 CA ALA A 31 -11.434 -5.034 0.729 1.00 0.00 C ATOM 469 C ALA A 31 -10.980 -3.638 1.129 1.00 0.00 C ATOM 470 O ALA A 31 -11.786 -2.769 1.460 1.00 0.00 O ATOM 471 CB ALA A 31 -11.559 -5.916 1.956 1.00 0.00 C ATOM 0 H ALA A 31 -9.799 -6.232 0.196 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.413 -4.973 0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.273 -5.474 2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.907 -6.905 1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.587 -6.004 2.442 1.00 0.00 H new ATOM 477 N THR A 32 -9.666 -3.444 1.064 1.00 0.00 N ATOM 478 CA THR A 32 -9.026 -2.189 1.438 1.00 0.00 C ATOM 479 C THR A 32 -9.104 -1.136 0.336 1.00 0.00 C ATOM 480 O THR A 32 -9.651 -0.053 0.536 1.00 0.00 O ATOM 481 CB THR A 32 -7.544 -2.446 1.741 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.404 -3.572 2.613 1.00 0.00 O ATOM 483 CG2 THR A 32 -6.899 -1.237 2.376 1.00 0.00 C ATOM 0 H THR A 32 -9.011 -4.159 0.748 1.00 0.00 H new ATOM 0 HA THR A 32 -9.558 -1.811 2.311 1.00 0.00 H new ATOM 0 HB THR A 32 -7.043 -2.652 0.795 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.743 -4.376 2.166 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.849 -1.449 2.579 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.973 -0.387 1.698 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.409 -1.001 3.310 1.00 0.00 H new ATOM 491 N VAL A 33 -8.552 -1.467 -0.824 1.00 0.00 N ATOM 492 CA VAL A 33 -8.530 -0.554 -1.956 1.00 0.00 C ATOM 493 C VAL A 33 -9.322 -1.102 -3.135 1.00 0.00 C ATOM 494 O VAL A 33 -9.248 -0.573 -4.241 1.00 0.00 O ATOM 495 CB VAL A 33 -7.084 -0.260 -2.389 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.358 0.462 -1.270 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.361 -1.541 -2.744 1.00 0.00 C ATOM 0 H VAL A 33 -8.111 -2.369 -1.005 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.002 0.374 -1.632 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.102 0.374 -3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.333 0.671 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.869 1.399 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.350 -0.164 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.340 -1.310 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.341 -2.200 -1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.880 -2.036 -3.564 1.00 0.00 H new ATOM 507 N GLY A 34 -10.062 -2.178 -2.898 1.00 0.00 N ATOM 508 CA GLY A 34 -10.882 -2.763 -3.956 1.00 0.00 C ATOM 509 C GLY A 34 -10.074 -3.533 -4.980 1.00 0.00 C ATOM 510 O GLY A 34 -10.573 -4.476 -5.595 1.00 0.00 O ATOM 0 H GLY A 34 -10.113 -2.658 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.619 -3.430 -3.509 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.434 -1.969 -4.460 1.00 0.00 H new ATOM 514 N TYR A 35 -8.829 -3.129 -5.161 1.00 0.00 N ATOM 515 CA TYR A 35 -7.944 -3.764 -6.120 1.00 0.00 C ATOM 516 C TYR A 35 -7.480 -5.127 -5.647 1.00 0.00 C ATOM 517 O TYR A 35 -6.801 -5.237 -4.627 1.00 0.00 O ATOM 518 CB TYR A 35 -6.738 -2.877 -6.358 1.00 0.00 C ATOM 519 CG TYR A 35 -7.107 -1.581 -7.005 1.00 0.00 C ATOM 520 CD1 TYR A 35 -7.768 -1.563 -8.222 1.00 0.00 C ATOM 521 CD2 TYR A 35 -6.813 -0.379 -6.396 1.00 0.00 C ATOM 522 CE1 TYR A 35 -8.124 -0.380 -8.816 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.161 0.813 -6.980 1.00 0.00 C ATOM 524 CZ TYR A 35 -7.819 0.812 -8.195 1.00 0.00 C ATOM 525 OH TYR A 35 -8.169 2.004 -8.788 1.00 0.00 O ATOM 0 H TYR A 35 -8.405 -2.355 -4.650 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.502 -3.904 -7.046 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.243 -2.678 -5.408 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.021 -3.404 -6.987 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.007 -2.496 -8.711 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.301 -0.376 -5.445 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.640 -0.382 -9.765 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.922 1.747 -6.493 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.932 2.395 -8.312 1.00 0.00 H new ATOM 535 N GLN A 36 -7.851 -6.164 -6.387 1.00 0.00 N ATOM 536 CA GLN A 36 -7.433 -7.508 -6.055 1.00 0.00 C ATOM 537 C GLN A 36 -5.912 -7.543 -5.993 1.00 0.00 C ATOM 538 O GLN A 36 -5.256 -6.680 -6.575 1.00 0.00 O ATOM 539 CB GLN A 36 -7.937 -8.494 -7.110 1.00 0.00 C ATOM 540 CG GLN A 36 -9.439 -8.454 -7.317 1.00 0.00 C ATOM 541 CD GLN A 36 -9.914 -9.472 -8.336 1.00 0.00 C ATOM 542 OE1 GLN A 36 -10.226 -10.675 -7.870 1.00 0.00 O flip ATOM 543 NE2 GLN A 36 -9.998 -9.180 -9.529 1.00 0.00 N flip ATOM 0 H GLN A 36 -8.439 -6.094 -7.218 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.851 -7.795 -5.090 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.443 -8.281 -8.058 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.646 -9.503 -6.819 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.938 -8.637 -6.366 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.731 -7.456 -7.643 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.748 -8.243 -9.843 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.318 -9.876 -10.203 1.00 0.00 H new ATOM 552 N PRO A 37 -5.317 -8.504 -5.278 1.00 0.00 N ATOM 553 CA PRO A 37 -3.875 -8.593 -5.189 1.00 0.00 C ATOM 554 C PRO A 37 -3.226 -8.508 -6.560 1.00 0.00 C ATOM 555 O PRO A 37 -2.187 -7.879 -6.720 1.00 0.00 O ATOM 556 CB PRO A 37 -3.619 -9.953 -4.566 1.00 0.00 C ATOM 557 CG PRO A 37 -4.893 -10.401 -3.954 1.00 0.00 C ATOM 558 CD PRO A 37 -5.995 -9.547 -4.503 1.00 0.00 C ATOM 0 HA PRO A 37 -3.454 -7.774 -4.607 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.283 -10.665 -5.320 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.832 -9.890 -3.814 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.076 -11.451 -4.180 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.847 -10.312 -2.869 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.670 -10.129 -5.131 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.596 -9.116 -3.703 1.00 0.00 H new ATOM 566 N GLN A 38 -3.849 -9.147 -7.547 1.00 0.00 N ATOM 567 CA GLN A 38 -3.337 -9.121 -8.911 1.00 0.00 C ATOM 568 C GLN A 38 -3.568 -7.749 -9.528 1.00 0.00 C ATOM 569 O GLN A 38 -2.811 -7.302 -10.390 1.00 0.00 O ATOM 570 CB GLN A 38 -4.004 -10.200 -9.757 1.00 0.00 C ATOM 571 CG GLN A 38 -5.513 -10.148 -9.693 1.00 0.00 C ATOM 572 CD GLN A 38 -6.165 -11.458 -10.087 1.00 0.00 C ATOM 573 OE1 GLN A 38 -5.630 -12.212 -10.901 1.00 0.00 O ATOM 574 NE2 GLN A 38 -7.329 -11.737 -9.512 1.00 0.00 N ATOM 0 H GLN A 38 -4.706 -9.687 -7.427 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.266 -9.321 -8.883 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.685 -10.091 -10.794 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.665 -11.180 -9.421 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.820 -9.885 -8.681 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.873 -9.357 -10.351 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.737 -11.084 -8.843 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.815 -12.604 -9.739 1.00 0.00 H new ATOM 583 N GLU A 39 -4.628 -7.088 -9.071 1.00 0.00 N ATOM 584 CA GLU A 39 -4.976 -5.757 -9.541 1.00 0.00 C ATOM 585 C GLU A 39 -3.931 -4.748 -9.077 1.00 0.00 C ATOM 586 O GLU A 39 -3.909 -3.602 -9.526 1.00 0.00 O ATOM 587 CB GLU A 39 -6.353 -5.370 -9.000 1.00 0.00 C ATOM 588 CG GLU A 39 -7.380 -5.076 -10.079 1.00 0.00 C ATOM 589 CD GLU A 39 -8.782 -5.486 -9.678 1.00 0.00 C ATOM 590 OE1 GLU A 39 -9.303 -4.935 -8.687 1.00 0.00 O ATOM 591 OE2 GLU A 39 -9.361 -6.359 -10.358 1.00 0.00 O ATOM 0 H GLU A 39 -5.265 -7.461 -8.367 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.003 -5.756 -10.631 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.725 -6.178 -8.370 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.248 -4.491 -8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.368 -4.010 -10.305 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.100 -5.599 -10.993 1.00 0.00 H new ATOM 598 N LEU A 40 -3.067 -5.195 -8.169 1.00 0.00 N ATOM 599 CA LEU A 40 -2.010 -4.359 -7.621 1.00 0.00 C ATOM 600 C LEU A 40 -0.645 -4.880 -8.053 1.00 0.00 C ATOM 601 O LEU A 40 0.270 -4.112 -8.340 1.00 0.00 O ATOM 602 CB LEU A 40 -2.098 -4.362 -6.097 1.00 0.00 C ATOM 603 CG LEU A 40 -2.827 -3.191 -5.426 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.292 -2.142 -6.425 1.00 0.00 C ATOM 605 CD2 LEU A 40 -3.998 -3.729 -4.629 1.00 0.00 C ATOM 0 H LEU A 40 -3.082 -6.144 -7.795 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.134 -3.343 -7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.591 -5.285 -5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.083 -4.397 -5.702 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.122 -2.690 -4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.801 -1.336 -5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.430 -1.739 -6.957 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.978 -2.598 -7.139 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.522 -2.902 -4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.682 -4.253 -5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.634 -4.419 -3.868 1.00 0.00 H new ATOM 617 N LEU A 41 -0.531 -6.198 -8.094 1.00 0.00 N ATOM 618 CA LEU A 41 0.705 -6.868 -8.468 1.00 0.00 C ATOM 619 C LEU A 41 1.242 -6.354 -9.798 1.00 0.00 C ATOM 620 O LEU A 41 0.524 -6.293 -10.795 1.00 0.00 O ATOM 621 CB LEU A 41 0.465 -8.378 -8.539 1.00 0.00 C ATOM 622 CG LEU A 41 0.635 -9.124 -7.212 1.00 0.00 C ATOM 623 CD1 LEU A 41 -0.339 -10.293 -7.117 1.00 0.00 C ATOM 624 CD2 LEU A 41 2.069 -9.606 -7.060 1.00 0.00 C ATOM 0 H LEU A 41 -1.295 -6.835 -7.868 1.00 0.00 H new ATOM 0 HA LEU A 41 1.456 -6.651 -7.708 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.545 -8.553 -8.910 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.152 -8.806 -9.269 1.00 0.00 H new ATOM 0 HG LEU A 41 0.412 -8.434 -6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.199 -10.807 -6.166 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.361 -9.921 -7.181 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.154 -10.988 -7.936 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.177 -10.135 -6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.316 -10.279 -7.881 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.744 -8.750 -7.077 1.00 0.00 H new ATOM 636 N GLY A 42 2.517 -5.983 -9.792 1.00 0.00 N ATOM 637 CA GLY A 42 3.155 -5.473 -10.985 1.00 0.00 C ATOM 638 C GLY A 42 2.930 -3.989 -11.163 1.00 0.00 C ATOM 639 O GLY A 42 3.430 -3.387 -12.114 1.00 0.00 O ATOM 0 H GLY A 42 3.123 -6.028 -8.973 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.225 -5.673 -10.936 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.771 -6.004 -11.856 1.00 0.00 H new ATOM 643 N LYS A 43 2.177 -3.400 -10.243 1.00 0.00 N ATOM 644 CA LYS A 43 1.882 -1.980 -10.297 1.00 0.00 C ATOM 645 C LYS A 43 2.653 -1.219 -9.241 1.00 0.00 C ATOM 646 O LYS A 43 2.830 -1.691 -8.118 1.00 0.00 O ATOM 647 CB LYS A 43 0.396 -1.732 -10.083 1.00 0.00 C ATOM 648 CG LYS A 43 -0.489 -2.607 -10.933 1.00 0.00 C ATOM 649 CD LYS A 43 -1.793 -1.917 -11.278 1.00 0.00 C ATOM 650 CE LYS A 43 -2.363 -2.425 -12.591 1.00 0.00 C ATOM 651 NZ LYS A 43 -3.642 -1.746 -12.941 1.00 0.00 N ATOM 0 H LYS A 43 1.760 -3.888 -9.450 1.00 0.00 H new ATOM 0 HA LYS A 43 2.179 -1.628 -11.285 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.156 -1.898 -9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.175 -0.687 -10.300 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.036 -2.873 -11.850 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.698 -3.537 -10.404 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.515 -2.082 -10.479 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.630 -0.841 -11.343 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.637 -2.265 -13.388 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.530 -3.500 -12.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.998 -2.121 -13.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.343 -1.920 -12.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.478 -0.723 -13.031 1.00 0.00 H new ATOM 665 N ASN A 44 3.103 -0.037 -9.610 1.00 0.00 N ATOM 666 CA ASN A 44 3.829 0.813 -8.687 1.00 0.00 C ATOM 667 C ASN A 44 2.862 1.321 -7.627 1.00 0.00 C ATOM 668 O ASN A 44 1.908 2.031 -7.931 1.00 0.00 O ATOM 669 CB ASN A 44 4.467 1.984 -9.437 1.00 0.00 C ATOM 670 CG ASN A 44 5.645 2.586 -8.704 1.00 0.00 C ATOM 671 OD1 ASN A 44 6.842 2.201 -9.109 1.00 0.00 O flip ATOM 672 ND2 ASN A 44 5.478 3.403 -7.803 1.00 0.00 N flip ATOM 0 H ASN A 44 2.979 0.357 -10.542 1.00 0.00 H new ATOM 0 HA ASN A 44 4.627 0.244 -8.209 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.793 1.644 -10.420 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.715 2.756 -9.600 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.534 3.669 -7.525 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.284 3.815 -7.333 1.00 0.00 H new ATOM 679 N ILE A 45 3.099 0.919 -6.388 1.00 0.00 N ATOM 680 CA ILE A 45 2.258 1.311 -5.271 1.00 0.00 C ATOM 681 C ILE A 45 1.977 2.811 -5.266 1.00 0.00 C ATOM 682 O ILE A 45 0.844 3.240 -5.044 1.00 0.00 O ATOM 683 CB ILE A 45 2.931 0.912 -3.948 1.00 0.00 C ATOM 684 CG1 ILE A 45 2.054 1.272 -2.758 1.00 0.00 C ATOM 685 CG2 ILE A 45 4.279 1.578 -3.838 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.647 0.873 -1.425 1.00 0.00 C ATOM 0 H ILE A 45 3.878 0.313 -6.130 1.00 0.00 H new ATOM 0 HA ILE A 45 1.305 0.792 -5.379 1.00 0.00 H new ATOM 0 HB ILE A 45 3.069 -0.169 -3.941 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.877 2.348 -2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.084 0.789 -2.873 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.751 1.291 -2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.909 1.265 -4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.153 2.660 -3.865 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.967 1.161 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.798 -0.206 -1.402 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.604 1.376 -1.287 1.00 0.00 H new ATOM 698 N VAL A 46 3.009 3.601 -5.530 1.00 0.00 N ATOM 699 CA VAL A 46 2.870 5.050 -5.536 1.00 0.00 C ATOM 700 C VAL A 46 2.026 5.529 -6.715 1.00 0.00 C ATOM 701 O VAL A 46 1.421 6.598 -6.650 1.00 0.00 O ATOM 702 CB VAL A 46 4.230 5.783 -5.505 1.00 0.00 C ATOM 703 CG1 VAL A 46 5.362 4.816 -5.221 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.466 6.563 -6.786 1.00 0.00 C ATOM 0 H VAL A 46 3.948 3.264 -5.742 1.00 0.00 H new ATOM 0 HA VAL A 46 2.348 5.306 -4.614 1.00 0.00 H new ATOM 0 HB VAL A 46 4.203 6.505 -4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.308 5.358 -5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.200 4.340 -4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.394 4.054 -6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.431 7.067 -6.732 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.460 5.879 -7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.676 7.304 -6.912 1.00 0.00 H new ATOM 714 N GLU A 47 2.022 4.773 -7.811 1.00 0.00 N ATOM 715 CA GLU A 47 1.216 5.152 -8.964 1.00 0.00 C ATOM 716 C GLU A 47 -0.222 5.397 -8.527 1.00 0.00 C ATOM 717 O GLU A 47 -0.924 6.237 -9.092 1.00 0.00 O ATOM 718 CB GLU A 47 1.261 4.077 -10.050 1.00 0.00 C ATOM 719 CG GLU A 47 2.353 4.296 -11.083 1.00 0.00 C ATOM 720 CD GLU A 47 2.294 3.291 -12.216 1.00 0.00 C ATOM 721 OE1 GLU A 47 2.670 2.121 -11.992 1.00 0.00 O ATOM 722 OE2 GLU A 47 1.870 3.673 -13.327 1.00 0.00 O ATOM 0 H GLU A 47 2.557 3.912 -7.923 1.00 0.00 H new ATOM 0 HA GLU A 47 1.629 6.069 -9.384 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.408 3.105 -9.580 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.296 4.044 -10.556 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.266 5.303 -11.491 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.326 4.233 -10.596 1.00 0.00 H new ATOM 729 N PHE A 48 -0.651 4.652 -7.512 1.00 0.00 N ATOM 730 CA PHE A 48 -1.991 4.809 -6.961 1.00 0.00 C ATOM 731 C PHE A 48 -1.967 5.945 -5.964 1.00 0.00 C ATOM 732 O PHE A 48 -2.929 6.696 -5.822 1.00 0.00 O ATOM 733 CB PHE A 48 -2.449 3.533 -6.259 1.00 0.00 C ATOM 734 CG PHE A 48 -2.558 2.352 -7.168 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.442 1.589 -7.464 1.00 0.00 C ATOM 736 CD2 PHE A 48 -3.778 2.002 -7.720 1.00 0.00 C ATOM 737 CE1 PHE A 48 -1.548 0.488 -8.301 1.00 0.00 C ATOM 738 CE2 PHE A 48 -3.886 0.911 -8.554 1.00 0.00 C ATOM 739 CZ PHE A 48 -2.769 0.155 -8.843 1.00 0.00 C ATOM 0 H PHE A 48 -0.089 3.934 -7.055 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.687 5.019 -7.773 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.749 3.299 -5.457 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.418 3.713 -5.794 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.484 1.852 -7.041 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.655 2.591 -7.494 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.675 -0.106 -8.527 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.843 0.648 -8.981 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.853 -0.701 -9.496 1.00 0.00 H new ATOM 749 N CYS A 49 -0.841 6.045 -5.275 1.00 0.00 N ATOM 750 CA CYS A 49 -0.627 7.091 -4.283 1.00 0.00 C ATOM 751 C CYS A 49 -0.864 8.465 -4.888 1.00 0.00 C ATOM 752 O CYS A 49 -0.582 8.686 -6.066 1.00 0.00 O ATOM 753 CB CYS A 49 0.809 7.030 -3.758 1.00 0.00 C ATOM 754 SG CYS A 49 1.241 8.383 -2.638 1.00 0.00 S ATOM 0 H CYS A 49 -0.052 5.408 -5.386 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.332 6.929 -3.467 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.956 6.082 -3.240 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.495 7.040 -4.605 1.00 0.00 H new ATOM 0 HG CYS A 49 1.001 9.521 -3.219 1.00 0.00 H new ATOM 760 N HIS A 50 -1.395 9.385 -4.091 1.00 0.00 N ATOM 761 CA HIS A 50 -1.618 10.741 -4.562 1.00 0.00 C ATOM 762 C HIS A 50 -0.266 11.356 -4.898 1.00 0.00 C ATOM 763 O HIS A 50 0.641 11.308 -4.076 1.00 0.00 O ATOM 764 CB HIS A 50 -2.342 11.571 -3.501 1.00 0.00 C ATOM 765 CG HIS A 50 -2.788 12.919 -3.976 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.945 13.824 -4.585 1.00 0.00 N ATOM 767 CD2 HIS A 50 -4.004 13.514 -3.926 1.00 0.00 C ATOM 768 CE1 HIS A 50 -2.622 14.918 -4.889 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.872 14.755 -4.500 1.00 0.00 N ATOM 0 H HIS A 50 -1.676 9.217 -3.125 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.250 10.726 -5.450 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.212 11.015 -3.152 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.681 11.700 -2.644 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.908 13.092 -3.512 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.220 15.796 -5.373 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.620 15.440 -4.608 1.00 0.00 H new ATOM 778 N PRO A 51 -0.101 11.916 -6.107 1.00 0.00 N ATOM 779 CA PRO A 51 1.172 12.493 -6.554 1.00 0.00 C ATOM 780 C PRO A 51 1.905 13.305 -5.487 1.00 0.00 C ATOM 781 O PRO A 51 3.069 13.035 -5.188 1.00 0.00 O ATOM 782 CB PRO A 51 0.740 13.374 -7.717 1.00 0.00 C ATOM 783 CG PRO A 51 -0.402 12.634 -8.309 1.00 0.00 C ATOM 784 CD PRO A 51 -1.144 12.054 -7.140 1.00 0.00 C ATOM 0 HA PRO A 51 1.896 11.720 -6.811 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.443 14.367 -7.379 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.546 13.511 -8.438 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.041 13.297 -8.891 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.056 11.851 -8.984 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.951 12.709 -6.811 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.594 11.093 -7.387 1.00 0.00 H new ATOM 792 N GLU A 52 1.225 14.294 -4.917 1.00 0.00 N ATOM 793 CA GLU A 52 1.823 15.147 -3.895 1.00 0.00 C ATOM 794 C GLU A 52 2.435 14.328 -2.761 1.00 0.00 C ATOM 795 O GLU A 52 3.351 14.785 -2.076 1.00 0.00 O ATOM 796 CB GLU A 52 0.767 16.098 -3.340 1.00 0.00 C ATOM 797 CG GLU A 52 0.326 17.144 -4.342 1.00 0.00 C ATOM 798 CD GLU A 52 1.223 18.367 -4.345 1.00 0.00 C ATOM 799 OE1 GLU A 52 2.234 18.358 -5.076 1.00 0.00 O ATOM 800 OE2 GLU A 52 0.913 19.332 -3.615 1.00 0.00 O ATOM 0 H GLU A 52 0.258 14.525 -5.145 1.00 0.00 H new ATOM 0 HA GLU A 52 2.627 15.717 -4.361 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.101 15.521 -3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.163 16.595 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.315 16.704 -5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.696 17.449 -4.117 1.00 0.00 H new ATOM 807 N ASP A 53 1.924 13.119 -2.570 1.00 0.00 N ATOM 808 CA ASP A 53 2.402 12.234 -1.515 1.00 0.00 C ATOM 809 C ASP A 53 3.238 11.071 -2.053 1.00 0.00 C ATOM 810 O ASP A 53 3.870 10.357 -1.274 1.00 0.00 O ATOM 811 CB ASP A 53 1.217 11.679 -0.726 1.00 0.00 C ATOM 812 CG ASP A 53 0.449 12.762 0.009 1.00 0.00 C ATOM 813 OD1 ASP A 53 0.809 13.064 1.166 1.00 0.00 O ATOM 814 OD2 ASP A 53 -0.512 13.306 -0.573 1.00 0.00 O ATOM 0 H ASP A 53 1.172 12.726 -3.137 1.00 0.00 H new ATOM 0 HA ASP A 53 3.046 12.831 -0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.543 11.159 -1.407 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.576 10.942 -0.008 1.00 0.00 H new ATOM 819 N GLN A 54 3.248 10.866 -3.372 1.00 0.00 N ATOM 820 CA GLN A 54 4.015 9.769 -3.948 1.00 0.00 C ATOM 821 C GLN A 54 5.498 9.939 -3.654 1.00 0.00 C ATOM 822 O GLN A 54 6.237 8.960 -3.564 1.00 0.00 O ATOM 823 CB GLN A 54 3.784 9.656 -5.454 1.00 0.00 C ATOM 824 CG GLN A 54 2.321 9.490 -5.833 1.00 0.00 C ATOM 825 CD GLN A 54 2.061 9.478 -7.331 1.00 0.00 C ATOM 826 OE1 GLN A 54 0.971 9.827 -7.783 1.00 0.00 O ATOM 827 NE2 GLN A 54 3.052 9.088 -8.111 1.00 0.00 N ATOM 0 H GLN A 54 2.741 11.437 -4.049 1.00 0.00 H new ATOM 0 HA GLN A 54 3.668 8.846 -3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.178 10.547 -5.942 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.349 8.806 -5.837 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.950 8.559 -5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.747 10.300 -5.383 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.942 8.805 -7.702 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.927 9.069 -9.123 1.00 0.00 H new ATOM 836 N GLN A 55 5.929 11.186 -3.507 1.00 0.00 N ATOM 837 CA GLN A 55 7.323 11.474 -3.204 1.00 0.00 C ATOM 838 C GLN A 55 7.642 11.068 -1.772 1.00 0.00 C ATOM 839 O GLN A 55 8.779 10.733 -1.445 1.00 0.00 O ATOM 840 CB GLN A 55 7.625 12.957 -3.407 1.00 0.00 C ATOM 841 CG GLN A 55 9.102 13.295 -3.288 1.00 0.00 C ATOM 842 CD GLN A 55 9.951 12.565 -4.310 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.164 13.052 -5.420 1.00 0.00 O ATOM 844 NE2 GLN A 55 10.442 11.389 -3.937 1.00 0.00 N ATOM 0 H GLN A 55 5.335 12.010 -3.593 1.00 0.00 H new ATOM 0 HA GLN A 55 7.949 10.898 -3.886 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.269 13.261 -4.391 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.067 13.538 -2.672 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.236 14.370 -3.411 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.449 13.043 -2.286 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.240 11.024 -3.006 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.022 10.851 -4.581 1.00 0.00 H new ATOM 853 N LEU A 56 6.618 11.102 -0.927 1.00 0.00 N ATOM 854 CA LEU A 56 6.747 10.730 0.465 1.00 0.00 C ATOM 855 C LEU A 56 6.728 9.220 0.586 1.00 0.00 C ATOM 856 O LEU A 56 7.408 8.636 1.431 1.00 0.00 O ATOM 857 CB LEU A 56 5.601 11.346 1.266 1.00 0.00 C ATOM 858 CG LEU A 56 5.286 10.669 2.598 1.00 0.00 C ATOM 859 CD1 LEU A 56 5.719 11.541 3.763 1.00 0.00 C ATOM 860 CD2 LEU A 56 3.803 10.351 2.682 1.00 0.00 C ATOM 0 H LEU A 56 5.677 11.389 -1.194 1.00 0.00 H new ATOM 0 HA LEU A 56 7.691 11.103 0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.838 12.392 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.702 11.331 0.650 1.00 0.00 H new ATOM 0 HG LEU A 56 5.846 9.736 2.655 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.484 11.038 4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.793 11.719 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.191 12.494 3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.588 9.868 3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.228 11.274 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.528 9.682 1.866 1.00 0.00 H new ATOM 872 N LEU A 57 5.936 8.597 -0.273 1.00 0.00 N ATOM 873 CA LEU A 57 5.819 7.152 -0.293 1.00 0.00 C ATOM 874 C LEU A 57 7.138 6.545 -0.733 1.00 0.00 C ATOM 875 O LEU A 57 7.729 5.726 -0.030 1.00 0.00 O ATOM 876 CB LEU A 57 4.698 6.732 -1.239 1.00 0.00 C ATOM 877 CG LEU A 57 4.331 5.252 -1.192 1.00 0.00 C ATOM 878 CD1 LEU A 57 4.029 4.832 0.235 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.145 4.970 -2.098 1.00 0.00 C ATOM 0 H LEU A 57 5.363 9.075 -0.968 1.00 0.00 H new ATOM 0 HA LEU A 57 5.579 6.793 0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.809 7.318 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.990 6.986 -2.258 1.00 0.00 H new ATOM 0 HG LEU A 57 5.179 4.669 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.768 3.774 0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.907 5.002 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.194 5.419 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.896 3.910 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.288 5.558 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.398 5.240 -3.123 1.00 0.00 H new ATOM 891 N ARG A 58 7.585 6.956 -1.911 1.00 0.00 N ATOM 892 CA ARG A 58 8.851 6.491 -2.453 1.00 0.00 C ATOM 893 C ARG A 58 9.968 6.780 -1.462 1.00 0.00 C ATOM 894 O ARG A 58 10.879 5.973 -1.287 1.00 0.00 O ATOM 895 CB ARG A 58 9.141 7.181 -3.785 1.00 0.00 C ATOM 896 CG ARG A 58 8.089 6.912 -4.847 1.00 0.00 C ATOM 897 CD ARG A 58 8.262 7.826 -6.048 1.00 0.00 C ATOM 898 NE ARG A 58 9.595 7.710 -6.637 1.00 0.00 N ATOM 899 CZ ARG A 58 10.021 8.453 -7.654 1.00 0.00 C ATOM 900 NH1 ARG A 58 9.224 9.364 -8.195 1.00 0.00 N ATOM 901 NH2 ARG A 58 11.247 8.283 -8.131 1.00 0.00 N ATOM 0 H ARG A 58 7.086 7.613 -2.511 1.00 0.00 H new ATOM 0 HA ARG A 58 8.791 5.416 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.213 8.256 -3.620 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.112 6.849 -4.154 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.152 5.872 -5.168 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.096 7.054 -4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.511 7.583 -6.800 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.088 8.859 -5.746 1.00 0.00 H new ATOM 0 HE ARG A 58 10.235 7.019 -6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.280 9.497 -7.831 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.554 9.932 -8.975 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.862 7.583 -7.718 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.574 8.853 -8.911 1.00 0.00 H new ATOM 915 N ASP A 59 9.880 7.938 -0.807 1.00 0.00 N ATOM 916 CA ASP A 59 10.873 8.338 0.182 1.00 0.00 C ATOM 917 C ASP A 59 11.003 7.271 1.242 1.00 0.00 C ATOM 918 O ASP A 59 12.107 6.853 1.587 1.00 0.00 O ATOM 919 CB ASP A 59 10.488 9.668 0.824 1.00 0.00 C ATOM 920 CG ASP A 59 11.538 10.171 1.796 1.00 0.00 C ATOM 921 OD1 ASP A 59 11.542 9.709 2.957 1.00 0.00 O ATOM 922 OD2 ASP A 59 12.355 11.027 1.398 1.00 0.00 O ATOM 0 H ASP A 59 9.129 8.614 -0.946 1.00 0.00 H new ATOM 0 HA ASP A 59 11.832 8.462 -0.321 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.334 10.413 0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.539 9.554 1.347 1.00 0.00 H new ATOM 927 N SER A 60 9.865 6.830 1.755 1.00 0.00 N ATOM 928 CA SER A 60 9.852 5.792 2.761 1.00 0.00 C ATOM 929 C SER A 60 10.656 4.595 2.275 1.00 0.00 C ATOM 930 O SER A 60 11.610 4.176 2.921 1.00 0.00 O ATOM 931 CB SER A 60 8.414 5.384 3.083 1.00 0.00 C ATOM 932 OG SER A 60 7.947 4.390 2.188 1.00 0.00 O ATOM 0 H SER A 60 8.943 7.177 1.489 1.00 0.00 H new ATOM 0 HA SER A 60 10.309 6.173 3.674 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.360 5.010 4.105 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.765 6.258 3.029 1.00 0.00 H new ATOM 0 HG SER A 60 7.512 4.818 1.422 1.00 0.00 H new ATOM 938 N PHE A 61 10.287 4.074 1.110 1.00 0.00 N ATOM 939 CA PHE A 61 10.977 2.929 0.533 1.00 0.00 C ATOM 940 C PHE A 61 12.464 3.200 0.406 1.00 0.00 C ATOM 941 O PHE A 61 13.280 2.298 0.584 1.00 0.00 O ATOM 942 CB PHE A 61 10.395 2.593 -0.838 1.00 0.00 C ATOM 943 CG PHE A 61 8.900 2.449 -0.824 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.257 1.879 0.264 1.00 0.00 C ATOM 945 CD2 PHE A 61 8.137 2.892 -1.891 1.00 0.00 C ATOM 946 CE1 PHE A 61 6.884 1.750 0.287 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.763 2.766 -1.874 1.00 0.00 C ATOM 948 CZ PHE A 61 6.134 2.195 -0.784 1.00 0.00 C ATOM 0 H PHE A 61 9.513 4.428 0.547 1.00 0.00 H new ATOM 0 HA PHE A 61 10.834 2.079 1.201 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.672 3.375 -1.545 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.840 1.665 -1.198 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.839 1.531 1.105 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.622 3.341 -2.745 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.397 1.302 1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.179 3.114 -2.713 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.059 2.097 -0.770 1.00 0.00 H new ATOM 958 N GLN A 62 12.815 4.446 0.104 1.00 0.00 N ATOM 959 CA GLN A 62 14.211 4.813 -0.047 1.00 0.00 C ATOM 960 C GLN A 62 14.916 4.743 1.294 1.00 0.00 C ATOM 961 O GLN A 62 16.108 4.466 1.364 1.00 0.00 O ATOM 962 CB GLN A 62 14.335 6.219 -0.633 1.00 0.00 C ATOM 963 CG GLN A 62 13.672 6.367 -1.991 1.00 0.00 C ATOM 964 CD GLN A 62 14.669 6.524 -3.124 1.00 0.00 C ATOM 965 OE1 GLN A 62 15.810 7.141 -2.833 1.00 0.00 O flip ATOM 966 NE2 GLN A 62 14.416 6.099 -4.252 1.00 0.00 N flip ATOM 0 H GLN A 62 12.155 5.210 -0.039 1.00 0.00 H new ATOM 0 HA GLN A 62 14.683 4.109 -0.733 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.891 6.934 0.060 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.391 6.476 -0.722 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.048 5.494 -2.182 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.011 7.233 -1.974 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.528 5.631 -4.433 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.094 6.215 -5.005 1.00 0.00 H new ATOM 975 N GLN A 63 14.165 4.980 2.358 1.00 0.00 N ATOM 976 CA GLN A 63 14.714 4.954 3.699 1.00 0.00 C ATOM 977 C GLN A 63 14.851 3.525 4.228 1.00 0.00 C ATOM 978 O GLN A 63 15.867 3.178 4.828 1.00 0.00 O ATOM 979 CB GLN A 63 13.824 5.780 4.612 1.00 0.00 C ATOM 980 CG GLN A 63 13.762 7.252 4.225 1.00 0.00 C ATOM 981 CD GLN A 63 15.100 7.954 4.368 1.00 0.00 C ATOM 982 OE1 GLN A 63 15.905 7.511 5.329 1.00 0.00 O flip ATOM 983 NE2 GLN A 63 15.406 8.887 3.626 1.00 0.00 N flip ATOM 0 H GLN A 63 13.168 5.193 2.315 1.00 0.00 H new ATOM 0 HA GLN A 63 15.717 5.381 3.674 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.816 5.365 4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.188 5.696 5.636 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.420 7.338 3.194 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.024 7.756 4.849 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.758 9.196 2.901 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.307 9.352 3.736 1.00 0.00 H new ATOM 992 N VAL A 64 13.829 2.697 4.007 1.00 0.00 N ATOM 993 CA VAL A 64 13.861 1.307 4.474 1.00 0.00 C ATOM 994 C VAL A 64 14.962 0.535 3.771 1.00 0.00 C ATOM 995 O VAL A 64 15.571 -0.367 4.341 1.00 0.00 O ATOM 996 CB VAL A 64 12.514 0.552 4.251 1.00 0.00 C ATOM 997 CG1 VAL A 64 11.390 1.503 3.888 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.643 -0.537 3.185 1.00 0.00 C ATOM 0 H VAL A 64 12.976 2.959 3.513 1.00 0.00 H new ATOM 0 HA VAL A 64 14.046 1.359 5.547 1.00 0.00 H new ATOM 0 HB VAL A 64 12.267 0.075 5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.469 0.939 3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.249 2.224 4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.643 2.031 2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.684 -1.039 3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.943 -0.086 2.239 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.394 -1.263 3.496 1.00 0.00 H new ATOM 1008 N VAL A 65 15.203 0.903 2.527 1.00 0.00 N ATOM 1009 CA VAL A 65 16.196 0.246 1.713 1.00 0.00 C ATOM 1010 C VAL A 65 17.589 0.805 1.980 1.00 0.00 C ATOM 1011 O VAL A 65 18.593 0.126 1.778 1.00 0.00 O ATOM 1012 CB VAL A 65 15.837 0.392 0.231 1.00 0.00 C ATOM 1013 CG1 VAL A 65 16.058 1.821 -0.242 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.620 -0.592 -0.607 1.00 0.00 C ATOM 0 H VAL A 65 14.714 1.665 2.057 1.00 0.00 H new ATOM 0 HA VAL A 65 16.207 -0.812 1.976 1.00 0.00 H new ATOM 0 HB VAL A 65 14.778 0.165 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.796 1.900 -1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.431 2.498 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.105 2.091 -0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.350 -0.472 -1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.687 -0.407 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.388 -1.608 -0.287 1.00 0.00 H new ATOM 1024 N LYS A 66 17.643 2.054 2.422 1.00 0.00 N ATOM 1025 CA LYS A 66 18.912 2.691 2.746 1.00 0.00 C ATOM 1026 C LYS A 66 19.424 2.165 4.074 1.00 0.00 C ATOM 1027 O LYS A 66 20.619 1.932 4.256 1.00 0.00 O ATOM 1028 CB LYS A 66 18.739 4.205 2.844 1.00 0.00 C ATOM 1029 CG LYS A 66 18.883 4.921 1.512 1.00 0.00 C ATOM 1030 CD LYS A 66 18.565 6.406 1.632 1.00 0.00 C ATOM 1031 CE LYS A 66 19.539 7.118 2.559 1.00 0.00 C ATOM 1032 NZ LYS A 66 20.948 6.983 2.096 1.00 0.00 N ATOM 0 H LYS A 66 16.824 2.645 2.564 1.00 0.00 H new ATOM 0 HA LYS A 66 19.626 2.462 1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.756 4.424 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.476 4.602 3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.900 4.796 1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.217 4.464 0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.600 6.866 0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.549 6.531 2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.276 8.174 2.619 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.447 6.709 3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.547 7.665 2.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.285 6.017 2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 20.997 7.173 1.075 1.00 0.00 H new ATOM 1046 N LEU A 67 18.490 1.983 4.993 1.00 0.00 N ATOM 1047 CA LEU A 67 18.792 1.496 6.326 1.00 0.00 C ATOM 1048 C LEU A 67 18.582 -0.011 6.393 1.00 0.00 C ATOM 1049 O LEU A 67 18.802 -0.640 7.428 1.00 0.00 O ATOM 1050 CB LEU A 67 17.892 2.226 7.317 1.00 0.00 C ATOM 1051 CG LEU A 67 17.838 3.743 7.112 1.00 0.00 C ATOM 1052 CD1 LEU A 67 16.854 4.383 8.079 1.00 0.00 C ATOM 1053 CD2 LEU A 67 19.222 4.348 7.275 1.00 0.00 C ATOM 0 H LEU A 67 17.500 2.170 4.834 1.00 0.00 H new ATOM 0 HA LEU A 67 19.835 1.691 6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.882 1.823 7.239 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.241 2.019 8.329 1.00 0.00 H new ATOM 0 HG LEU A 67 17.492 3.941 6.098 1.00 0.00 H new ATOM 0 HD11 LEU A 67 16.832 5.460 7.916 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.859 3.970 7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 67 17.165 4.178 9.103 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.167 5.426 7.126 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.595 4.138 8.277 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.898 3.914 6.538 1.00 0.00 H new ATOM 1065 N LYS A 68 18.162 -0.564 5.259 1.00 0.00 N ATOM 1066 CA LYS A 68 17.906 -1.995 5.100 1.00 0.00 C ATOM 1067 C LYS A 68 17.352 -2.640 6.364 1.00 0.00 C ATOM 1068 O LYS A 68 18.097 -3.082 7.239 1.00 0.00 O ATOM 1069 CB LYS A 68 19.164 -2.724 4.658 1.00 0.00 C ATOM 1070 CG LYS A 68 18.934 -3.630 3.460 1.00 0.00 C ATOM 1071 CD LYS A 68 19.062 -2.867 2.155 1.00 0.00 C ATOM 1072 CE LYS A 68 18.091 -3.393 1.114 1.00 0.00 C ATOM 1073 NZ LYS A 68 18.348 -4.822 0.786 1.00 0.00 N ATOM 0 H LYS A 68 17.987 -0.024 4.411 1.00 0.00 H new ATOM 0 HA LYS A 68 17.143 -2.085 4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.934 -1.993 4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.544 -3.319 5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.654 -4.448 3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.942 -4.077 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 68 18.873 -1.808 2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 68 20.082 -2.951 1.780 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.071 -3.283 1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.170 -2.793 0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.468 -4.926 -0.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.212 -5.139 1.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.543 -5.401 1.101 1.00 0.00 H new ATOM 1087 N GLY A 69 16.034 -2.695 6.432 1.00 0.00 N ATOM 1088 CA GLY A 69 15.357 -3.297 7.564 1.00 0.00 C ATOM 1089 C GLY A 69 14.550 -2.291 8.354 1.00 0.00 C ATOM 1090 O GLY A 69 13.459 -2.600 8.834 1.00 0.00 O ATOM 0 H GLY A 69 15.410 -2.328 5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.698 -4.090 7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.093 -3.763 8.219 1.00 0.00 H new ATOM 1094 N GLN A 70 15.089 -1.088 8.488 1.00 0.00 N ATOM 1095 CA GLN A 70 14.409 -0.025 9.213 1.00 0.00 C ATOM 1096 C GLN A 70 13.039 0.237 8.603 1.00 0.00 C ATOM 1097 O GLN A 70 12.924 0.486 7.403 1.00 0.00 O ATOM 1098 CB GLN A 70 15.251 1.246 9.175 1.00 0.00 C ATOM 1099 CG GLN A 70 14.709 2.370 10.039 1.00 0.00 C ATOM 1100 CD GLN A 70 14.581 1.974 11.498 1.00 0.00 C ATOM 1101 OE1 GLN A 70 13.541 1.473 11.928 1.00 0.00 O ATOM 1102 NE2 GLN A 70 15.640 2.197 12.266 1.00 0.00 N ATOM 0 H GLN A 70 15.996 -0.824 8.104 1.00 0.00 H new ATOM 0 HA GLN A 70 14.275 -0.334 10.250 1.00 0.00 H new ATOM 0 HB2 GLN A 70 16.264 1.008 9.499 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.319 1.594 8.144 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.367 3.235 9.958 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.733 2.675 9.662 1.00 0.00 H new ATOM 0 HE21 GLN A 70 16.481 2.614 11.867 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.613 1.951 13.256 1.00 0.00 H new ATOM 1111 N VAL A 71 12.003 0.183 9.431 1.00 0.00 N ATOM 1112 CA VAL A 71 10.648 0.400 8.959 1.00 0.00 C ATOM 1113 C VAL A 71 10.331 1.883 8.823 1.00 0.00 C ATOM 1114 O VAL A 71 10.804 2.714 9.598 1.00 0.00 O ATOM 1115 CB VAL A 71 9.620 -0.247 9.896 1.00 0.00 C ATOM 1116 CG1 VAL A 71 8.263 -0.342 9.212 1.00 0.00 C ATOM 1117 CG2 VAL A 71 10.101 -1.615 10.351 1.00 0.00 C ATOM 0 H VAL A 71 12.078 -0.009 10.430 1.00 0.00 H new ATOM 0 HA VAL A 71 10.584 -0.067 7.976 1.00 0.00 H new ATOM 0 HB VAL A 71 9.509 0.381 10.780 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.545 -0.803 9.890 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.919 0.657 8.945 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.352 -0.948 8.310 1.00 0.00 H new ATOM 0 HG21 VAL A 71 9.359 -2.059 11.015 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.242 -2.258 9.483 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.047 -1.510 10.882 1.00 0.00 H new ATOM 1127 N LEU A 72 9.519 2.190 7.823 1.00 0.00 N ATOM 1128 CA LEU A 72 9.109 3.545 7.526 1.00 0.00 C ATOM 1129 C LEU A 72 7.604 3.692 7.681 1.00 0.00 C ATOM 1130 O LEU A 72 6.856 2.735 7.484 1.00 0.00 O ATOM 1131 CB LEU A 72 9.505 3.885 6.093 1.00 0.00 C ATOM 1132 CG LEU A 72 10.916 4.435 5.904 1.00 0.00 C ATOM 1133 CD1 LEU A 72 10.961 5.896 6.287 1.00 0.00 C ATOM 1134 CD2 LEU A 72 11.935 3.637 6.706 1.00 0.00 C ATOM 0 H LEU A 72 9.124 1.494 7.190 1.00 0.00 H new ATOM 0 HA LEU A 72 9.601 4.224 8.222 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.402 2.986 5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.796 4.616 5.704 1.00 0.00 H new ATOM 0 HG LEU A 72 11.179 4.339 4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.973 6.278 6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.271 6.459 5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.672 6.007 7.332 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.929 4.055 6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.684 3.687 7.765 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.922 2.597 6.378 1.00 0.00 H new ATOM 1146 N SER A 73 7.165 4.891 8.031 1.00 0.00 N ATOM 1147 CA SER A 73 5.746 5.156 8.192 1.00 0.00 C ATOM 1148 C SER A 73 5.368 6.437 7.480 1.00 0.00 C ATOM 1149 O SER A 73 5.797 7.527 7.861 1.00 0.00 O ATOM 1150 CB SER A 73 5.371 5.255 9.666 1.00 0.00 C ATOM 1151 OG SER A 73 3.987 5.019 9.857 1.00 0.00 O ATOM 0 H SER A 73 7.770 5.693 8.208 1.00 0.00 H new ATOM 0 HA SER A 73 5.197 4.324 7.752 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.949 4.532 10.241 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.630 6.244 10.045 1.00 0.00 H new ATOM 0 HG SER A 73 3.772 5.086 10.811 1.00 0.00 H new ATOM 1157 N VAL A 74 4.565 6.296 6.443 1.00 0.00 N ATOM 1158 CA VAL A 74 4.128 7.454 5.664 1.00 0.00 C ATOM 1159 C VAL A 74 2.650 7.361 5.321 1.00 0.00 C ATOM 1160 O VAL A 74 2.160 6.302 4.935 1.00 0.00 O ATOM 1161 CB VAL A 74 4.931 7.604 4.352 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.412 7.796 4.637 1.00 0.00 C ATOM 1163 CG2 VAL A 74 4.707 6.407 3.447 1.00 0.00 C ATOM 0 H VAL A 74 4.200 5.401 6.117 1.00 0.00 H new ATOM 0 HA VAL A 74 4.306 8.328 6.291 1.00 0.00 H new ATOM 0 HB VAL A 74 4.571 8.494 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.953 7.899 3.696 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.553 8.695 5.237 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.793 6.932 5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.281 6.532 2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.031 5.500 3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.647 6.328 3.204 1.00 0.00 H new ATOM 1173 N MET A 75 1.938 8.471 5.465 1.00 0.00 N ATOM 1174 CA MET A 75 0.521 8.485 5.139 1.00 0.00 C ATOM 1175 C MET A 75 0.309 9.065 3.762 1.00 0.00 C ATOM 1176 O MET A 75 0.793 10.153 3.450 1.00 0.00 O ATOM 1177 CB MET A 75 -0.300 9.283 6.143 1.00 0.00 C ATOM 1178 CG MET A 75 -0.442 8.606 7.488 1.00 0.00 C ATOM 1179 SD MET A 75 -1.820 9.259 8.446 1.00 0.00 S ATOM 1180 CE MET A 75 -3.194 8.728 7.428 1.00 0.00 C ATOM 0 H MET A 75 2.312 9.359 5.800 1.00 0.00 H new ATOM 0 HA MET A 75 0.181 7.450 5.172 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.164 10.259 6.285 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.293 9.460 5.729 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.582 7.535 7.339 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.481 8.731 8.054 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.131 9.038 7.891 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.110 9.180 6.440 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.178 7.642 7.333 1.00 0.00 H new ATOM 1190 N PHE A 76 -0.415 8.335 2.944 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.689 8.786 1.589 1.00 0.00 C ATOM 1192 C PHE A 76 -2.107 8.438 1.160 1.00 0.00 C ATOM 1193 O PHE A 76 -2.776 7.616 1.780 1.00 0.00 O ATOM 1194 CB PHE A 76 0.309 8.161 0.623 1.00 0.00 C ATOM 1195 CG PHE A 76 0.003 6.730 0.304 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.360 5.714 1.175 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.652 6.400 -0.869 1.00 0.00 C ATOM 1198 CE1 PHE A 76 0.069 4.403 0.879 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -0.943 5.086 -1.167 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.580 4.087 -0.290 1.00 0.00 C ATOM 0 H PHE A 76 -0.824 7.433 3.186 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.588 9.871 1.571 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.321 8.738 -0.301 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.309 8.225 1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.872 5.954 2.095 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.938 7.180 -1.559 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.351 3.620 1.567 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.454 4.840 -2.086 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.805 3.056 -0.521 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.550 9.070 0.084 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.884 8.836 -0.453 1.00 0.00 C ATOM 1212 C ARG A 77 -3.843 7.784 -1.560 1.00 0.00 C ATOM 1213 O ARG A 77 -3.335 8.035 -2.652 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.464 10.148 -0.984 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.610 11.216 0.087 1.00 0.00 C ATOM 1216 CD ARG A 77 -4.608 12.619 -0.506 1.00 0.00 C ATOM 1217 NE ARG A 77 -5.860 12.937 -1.185 1.00 0.00 N ATOM 1218 CZ ARG A 77 -6.475 14.113 -1.080 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -5.953 15.073 -0.330 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -7.613 14.330 -1.724 1.00 0.00 N ATOM 0 H ARG A 77 -2.002 9.754 -0.438 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.524 8.461 0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.822 10.526 -1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.440 9.953 -1.428 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.538 11.055 0.636 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.795 11.124 0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.433 13.346 0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.782 12.712 -1.211 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.287 12.220 -1.771 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.078 14.912 0.169 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.426 15.973 -0.251 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.020 13.595 -2.302 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.082 15.232 -1.641 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.376 6.601 -1.263 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.401 5.503 -2.224 1.00 0.00 C ATOM 1236 C PHE A 78 -5.683 5.520 -3.047 1.00 0.00 C ATOM 1237 O PHE A 78 -6.748 5.166 -2.544 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.304 4.150 -1.499 1.00 0.00 C ATOM 1239 CG PHE A 78 -3.940 2.997 -2.406 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -4.833 2.527 -3.360 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.701 2.390 -2.309 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.490 1.474 -4.192 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.354 1.342 -3.139 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.249 0.884 -4.080 1.00 0.00 C ATOM 0 H PHE A 78 -4.797 6.379 -0.361 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.545 5.634 -2.887 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.560 4.226 -0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.259 3.936 -1.020 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.805 2.987 -3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.994 2.741 -1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.194 1.115 -4.928 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.381 0.882 -3.050 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.979 0.064 -4.729 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.588 5.927 -4.310 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.757 5.924 -5.172 1.00 0.00 C ATOM 1256 C ARG A 79 -7.203 4.483 -5.338 1.00 0.00 C ATOM 1257 O ARG A 79 -6.559 3.705 -6.040 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.444 6.562 -6.527 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.611 6.530 -7.500 1.00 0.00 C ATOM 1260 CD ARG A 79 -7.657 5.218 -8.254 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.397 5.328 -9.508 1.00 0.00 N ATOM 1262 CZ ARG A 79 -7.971 4.819 -10.661 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -6.832 4.141 -10.711 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -8.685 4.986 -11.766 1.00 0.00 N ATOM 0 H ARG A 79 -4.729 6.257 -4.749 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.555 6.516 -4.724 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.141 7.597 -6.370 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.595 6.046 -6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.545 6.674 -6.957 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.522 7.356 -8.206 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.640 4.885 -8.462 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.120 4.456 -7.627 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.289 5.822 -9.500 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.280 4.008 -9.864 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.508 3.752 -11.597 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.562 5.505 -11.733 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.357 4.595 -12.649 1.00 0.00 H new ATOM 1278 N SER A 80 -8.291 4.126 -4.674 1.00 0.00 N ATOM 1279 CA SER A 80 -8.785 2.767 -4.711 1.00 0.00 C ATOM 1280 C SER A 80 -9.581 2.449 -5.962 1.00 0.00 C ATOM 1281 O SER A 80 -9.654 3.238 -6.901 1.00 0.00 O ATOM 1282 CB SER A 80 -9.649 2.497 -3.493 1.00 0.00 C ATOM 1283 OG SER A 80 -10.970 2.970 -3.685 1.00 0.00 O ATOM 0 H SER A 80 -8.847 4.763 -4.103 1.00 0.00 H new ATOM 0 HA SER A 80 -7.906 2.122 -4.715 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.670 1.426 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.211 2.980 -2.619 1.00 0.00 H new ATOM 0 HG SER A 80 -11.504 2.781 -2.886 1.00 0.00 H new ATOM 1289 N LYS A 81 -10.176 1.266 -5.940 1.00 0.00 N ATOM 1290 CA LYS A 81 -10.975 0.776 -7.044 1.00 0.00 C ATOM 1291 C LYS A 81 -12.220 1.635 -7.203 1.00 0.00 C ATOM 1292 O LYS A 81 -12.782 1.744 -8.293 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.349 -0.687 -6.810 1.00 0.00 C ATOM 1294 CG LYS A 81 -11.898 -1.341 -8.049 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.047 -2.515 -8.469 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.651 -3.221 -9.658 1.00 0.00 C ATOM 1297 NZ LYS A 81 -12.948 -3.873 -9.324 1.00 0.00 N ATOM 0 H LYS A 81 -10.116 0.620 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.394 0.838 -7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.470 -1.235 -6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.089 -0.747 -6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.919 -1.676 -7.865 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.943 -0.613 -8.859 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.043 -2.171 -8.717 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.948 -3.213 -7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.803 -2.505 -10.465 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.952 -3.972 -10.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.201 -4.547 -10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -12.860 -4.379 -8.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.690 -3.149 -9.245 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.639 2.248 -6.103 1.00 0.00 N ATOM 1312 CA ASN A 82 -13.798 3.123 -6.109 1.00 0.00 C ATOM 1313 C ASN A 82 -13.395 4.507 -6.599 1.00 0.00 C ATOM 1314 O ASN A 82 -14.216 5.422 -6.666 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.406 3.218 -4.710 1.00 0.00 C ATOM 1316 CG ASN A 82 -14.915 1.881 -4.208 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -16.077 1.530 -4.412 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.045 1.127 -3.548 1.00 0.00 N ATOM 0 H ASN A 82 -12.189 2.153 -5.193 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.547 2.707 -6.783 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.657 3.602 -4.017 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.227 3.935 -4.722 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.330 0.217 -3.187 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.091 1.458 -3.402 1.00 0.00 H new ATOM 1325 N GLN A 83 -12.110 4.642 -6.933 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.556 5.899 -7.429 1.00 0.00 C ATOM 1327 C GLN A 83 -11.641 6.974 -6.352 1.00 0.00 C ATOM 1328 O GLN A 83 -12.064 8.100 -6.611 1.00 0.00 O ATOM 1329 CB GLN A 83 -12.290 6.352 -8.697 1.00 0.00 C ATOM 1330 CG GLN A 83 -12.783 5.201 -9.563 1.00 0.00 C ATOM 1331 CD GLN A 83 -12.568 5.442 -11.042 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -11.460 4.933 -11.566 1.00 0.00 O flip ATOM 1333 NE2 GLN A 83 -13.394 6.066 -11.710 1.00 0.00 N flip ATOM 0 H GLN A 83 -11.429 3.886 -6.867 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.508 5.738 -7.681 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.141 6.971 -8.412 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.623 6.980 -9.288 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.267 4.286 -9.270 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -13.845 5.042 -9.377 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -14.232 6.440 -11.265 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -13.240 6.209 -12.708 1.00 0.00 H new ATOM 1342 N GLU A 84 -11.228 6.611 -5.142 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.260 7.527 -4.012 1.00 0.00 C ATOM 1344 C GLU A 84 -9.910 7.580 -3.304 1.00 0.00 C ATOM 1345 O GLU A 84 -9.250 6.555 -3.133 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.340 7.095 -3.030 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.746 7.324 -3.549 1.00 0.00 C ATOM 1348 CD GLU A 84 -14.118 8.793 -3.596 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -13.825 9.447 -4.619 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -14.701 9.289 -2.610 1.00 0.00 O ATOM 0 H GLU A 84 -10.866 5.684 -4.920 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.484 8.525 -4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.212 6.037 -2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.211 7.641 -2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.834 6.899 -4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.455 6.794 -2.913 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.502 8.779 -2.898 1.00 0.00 N ATOM 1358 CA TRP A 85 -8.237 8.958 -2.202 1.00 0.00 C ATOM 1359 C TRP A 85 -8.298 8.341 -0.807 1.00 0.00 C ATOM 1360 O TRP A 85 -8.590 9.022 0.177 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.887 10.444 -2.122 1.00 0.00 C ATOM 1362 CG TRP A 85 -7.425 11.022 -3.424 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.895 12.137 -4.048 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.398 10.502 -4.254 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -7.215 12.338 -5.228 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -6.288 11.341 -5.375 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.563 9.404 -4.148 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -5.363 11.106 -6.390 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.644 9.164 -5.149 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.549 10.013 -6.260 1.00 0.00 C ATOM 0 H TRP A 85 -10.031 9.640 -3.040 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.455 8.447 -2.763 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.761 10.997 -1.779 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -7.107 10.585 -1.374 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.685 12.771 -3.673 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.375 13.103 -5.884 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.629 8.745 -3.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -5.291 11.761 -7.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -3.988 8.309 -5.075 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -3.820 9.801 -7.028 1.00 0.00 H new ATOM 1381 N LEU A 86 -8.017 7.044 -0.739 1.00 0.00 N ATOM 1382 CA LEU A 86 -8.045 6.301 0.517 1.00 0.00 C ATOM 1383 C LEU A 86 -6.798 6.553 1.353 1.00 0.00 C ATOM 1384 O LEU A 86 -5.740 5.997 1.075 1.00 0.00 O ATOM 1385 CB LEU A 86 -8.164 4.804 0.229 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.479 4.351 -0.420 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.739 2.891 -0.098 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.643 5.217 0.040 1.00 0.00 C ATOM 0 H LEU A 86 -7.764 6.479 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.909 6.647 1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.340 4.512 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.038 4.262 1.166 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.388 4.464 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.674 2.577 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.921 2.282 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.809 2.764 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.562 4.874 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.745 5.144 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.457 6.254 -0.238 1.00 0.00 H new ATOM 1400 N TRP A 87 -6.924 7.370 2.396 1.00 0.00 N ATOM 1401 CA TRP A 87 -5.785 7.657 3.253 1.00 0.00 C ATOM 1402 C TRP A 87 -5.302 6.383 3.917 1.00 0.00 C ATOM 1403 O TRP A 87 -6.073 5.656 4.544 1.00 0.00 O ATOM 1404 CB TRP A 87 -6.124 8.705 4.304 1.00 0.00 C ATOM 1405 CG TRP A 87 -5.836 10.102 3.848 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.742 11.007 3.376 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -4.554 10.750 3.803 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -6.107 12.176 3.037 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.767 12.045 3.288 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -3.246 10.369 4.146 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -3.730 12.955 3.104 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -2.221 11.277 3.960 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -2.467 12.555 3.443 1.00 0.00 C ATOM 0 H TRP A 87 -7.791 7.837 2.663 1.00 0.00 H new ATOM 0 HA TRP A 87 -4.989 8.062 2.629 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -7.179 8.623 4.564 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -5.555 8.500 5.211 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -7.803 10.829 3.283 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -6.560 13.008 2.659 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -3.046 9.386 4.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -3.916 13.942 2.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.211 10.996 4.218 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.642 13.239 3.309 1.00 0.00 H new ATOM 1424 N MET A 88 -4.018 6.128 3.769 1.00 0.00 N ATOM 1425 CA MET A 88 -3.401 4.935 4.318 1.00 0.00 C ATOM 1426 C MET A 88 -2.072 5.251 4.964 1.00 0.00 C ATOM 1427 O MET A 88 -1.472 6.293 4.713 1.00 0.00 O ATOM 1428 CB MET A 88 -3.164 3.910 3.212 1.00 0.00 C ATOM 1429 CG MET A 88 -4.399 3.579 2.414 1.00 0.00 C ATOM 1430 SD MET A 88 -5.226 2.085 2.965 1.00 0.00 S ATOM 1431 CE MET A 88 -6.543 2.018 1.759 1.00 0.00 C ATOM 0 H MET A 88 -3.374 6.739 3.267 1.00 0.00 H new ATOM 0 HA MET A 88 -4.080 4.534 5.070 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.397 4.289 2.536 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.773 2.994 3.656 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.096 4.415 2.475 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.125 3.468 1.365 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.735 0.980 1.487 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.447 2.455 2.183 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.252 2.578 0.870 1.00 0.00 H new ATOM 1441 N ARG A 89 -1.629 4.333 5.797 1.00 0.00 N ATOM 1442 CA ARG A 89 -0.352 4.451 6.465 1.00 0.00 C ATOM 1443 C ARG A 89 0.515 3.270 6.062 1.00 0.00 C ATOM 1444 O ARG A 89 0.136 2.118 6.279 1.00 0.00 O ATOM 1445 CB ARG A 89 -0.537 4.461 7.978 1.00 0.00 C ATOM 1446 CG ARG A 89 -1.558 5.471 8.460 1.00 0.00 C ATOM 1447 CD ARG A 89 -1.086 6.151 9.727 1.00 0.00 C ATOM 1448 NE ARG A 89 -1.060 5.237 10.866 1.00 0.00 N ATOM 1449 CZ ARG A 89 -0.665 5.588 12.086 1.00 0.00 C ATOM 1450 NH1 ARG A 89 -0.267 6.830 12.327 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -0.668 4.697 13.067 1.00 0.00 N ATOM 0 H ARG A 89 -2.145 3.484 6.030 1.00 0.00 H new ATOM 0 HA ARG A 89 0.125 5.387 6.174 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.841 3.466 8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.422 4.673 8.451 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.732 6.217 7.685 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.510 4.973 8.642 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.088 6.559 9.568 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.742 6.992 9.953 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.362 4.274 10.717 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.263 7.519 11.575 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.035 7.096 13.264 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.974 3.741 12.886 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.365 4.967 14.003 1.00 0.00 H new ATOM 1465 N THR A 90 1.672 3.541 5.484 1.00 0.00 N ATOM 1466 CA THR A 90 2.540 2.463 5.030 1.00 0.00 C ATOM 1467 C THR A 90 3.601 2.081 6.042 1.00 0.00 C ATOM 1468 O THR A 90 4.237 2.947 6.654 1.00 0.00 O ATOM 1469 CB THR A 90 3.271 2.824 3.734 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.446 3.582 4.031 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.371 3.613 2.817 1.00 0.00 C ATOM 0 H THR A 90 2.030 4.482 5.319 1.00 0.00 H new ATOM 0 HA THR A 90 1.864 1.622 4.875 1.00 0.00 H new ATOM 0 HB THR A 90 3.556 1.900 3.230 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.241 3.041 3.840 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.910 3.859 1.902 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.491 3.019 2.571 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.061 4.532 3.314 1.00 0.00 H new ATOM 1479 N SER A 91 3.782 0.769 6.185 1.00 0.00 N ATOM 1480 CA SER A 91 4.796 0.198 7.057 1.00 0.00 C ATOM 1481 C SER A 91 5.836 -0.479 6.169 1.00 0.00 C ATOM 1482 O SER A 91 5.892 -1.706 6.072 1.00 0.00 O ATOM 1483 CB SER A 91 4.164 -0.810 8.022 1.00 0.00 C ATOM 1484 OG SER A 91 3.919 -0.222 9.288 1.00 0.00 O ATOM 0 H SER A 91 3.223 0.071 5.694 1.00 0.00 H new ATOM 0 HA SER A 91 5.265 0.975 7.661 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.229 -1.181 7.603 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.824 -1.669 8.139 1.00 0.00 H new ATOM 0 HG SER A 91 3.514 -0.886 9.884 1.00 0.00 H new ATOM 1490 N SER A 92 6.652 0.345 5.518 1.00 0.00 N ATOM 1491 CA SER A 92 7.655 -0.135 4.572 1.00 0.00 C ATOM 1492 C SER A 92 8.980 -0.499 5.232 1.00 0.00 C ATOM 1493 O SER A 92 9.619 0.321 5.879 1.00 0.00 O ATOM 1494 CB SER A 92 7.896 0.929 3.505 1.00 0.00 C ATOM 1495 OG SER A 92 6.739 1.724 3.309 1.00 0.00 O ATOM 0 H SER A 92 6.637 1.359 5.630 1.00 0.00 H new ATOM 0 HA SER A 92 7.260 -1.049 4.129 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.731 1.563 3.801 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.176 0.451 2.566 1.00 0.00 H new ATOM 0 HG SER A 92 6.750 2.100 2.404 1.00 0.00 H new ATOM 1501 N GLN A 93 9.383 -1.744 5.043 1.00 0.00 N ATOM 1502 CA GLN A 93 10.643 -2.249 5.567 1.00 0.00 C ATOM 1503 C GLN A 93 11.092 -3.423 4.716 1.00 0.00 C ATOM 1504 O GLN A 93 10.262 -4.197 4.251 1.00 0.00 O ATOM 1505 CB GLN A 93 10.510 -2.682 7.026 1.00 0.00 C ATOM 1506 CG GLN A 93 9.507 -3.802 7.241 1.00 0.00 C ATOM 1507 CD GLN A 93 9.675 -4.487 8.581 1.00 0.00 C ATOM 1508 OE1 GLN A 93 10.903 -4.505 9.074 1.00 0.00 O flip ATOM 1509 NE2 GLN A 93 8.715 -4.990 9.162 1.00 0.00 N flip ATOM 0 H GLN A 93 8.845 -2.436 4.521 1.00 0.00 H new ATOM 0 HA GLN A 93 11.383 -1.450 5.528 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.485 -3.005 7.390 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.214 -1.821 7.626 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.497 -3.399 7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.615 -4.539 6.445 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.787 -4.951 8.741 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.847 -5.446 10.065 1.00 0.00 H new ATOM 1518 N THR A 94 12.398 -3.561 4.521 1.00 0.00 N ATOM 1519 CA THR A 94 12.931 -4.636 3.699 1.00 0.00 C ATOM 1520 C THR A 94 12.217 -5.950 3.978 1.00 0.00 C ATOM 1521 O THR A 94 12.137 -6.404 5.119 1.00 0.00 O ATOM 1522 CB THR A 94 14.439 -4.795 3.914 1.00 0.00 C ATOM 1523 OG1 THR A 94 14.701 -5.305 5.228 1.00 0.00 O ATOM 1524 CG2 THR A 94 15.127 -3.451 3.735 1.00 0.00 C ATOM 0 H THR A 94 13.104 -2.943 4.920 1.00 0.00 H new ATOM 0 HA THR A 94 12.757 -4.368 2.657 1.00 0.00 H new ATOM 0 HB THR A 94 14.829 -5.500 3.180 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.885 -5.708 5.591 1.00 0.00 H new ATOM 0 HG21 THR A 94 16.200 -3.568 3.889 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.943 -3.080 2.727 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.732 -2.740 4.461 1.00 0.00 H new ATOM 1532 N ALA A 95 11.684 -6.530 2.908 1.00 0.00 N ATOM 1533 CA ALA A 95 10.937 -7.782 2.973 1.00 0.00 C ATOM 1534 C ALA A 95 11.620 -8.852 3.823 1.00 0.00 C ATOM 1535 O ALA A 95 12.740 -8.676 4.304 1.00 0.00 O ATOM 1536 CB ALA A 95 10.678 -8.297 1.577 1.00 0.00 C ATOM 0 H ALA A 95 11.758 -6.144 1.967 1.00 0.00 H new ATOM 0 HA ALA A 95 9.991 -7.562 3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.120 -9.232 1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 95 10.099 -7.561 1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.628 -8.470 1.071 1.00 0.00 H new ATOM 1542 N GLN A 96 10.927 -9.976 3.972 1.00 0.00 N ATOM 1543 CA GLN A 96 11.394 -11.078 4.795 1.00 0.00 C ATOM 1544 C GLN A 96 11.969 -12.243 3.989 1.00 0.00 C ATOM 1545 O GLN A 96 11.727 -13.404 4.323 1.00 0.00 O ATOM 1546 CB GLN A 96 10.222 -11.557 5.626 1.00 0.00 C ATOM 1547 CG GLN A 96 9.472 -10.417 6.286 1.00 0.00 C ATOM 1548 CD GLN A 96 10.241 -9.791 7.434 1.00 0.00 C ATOM 1549 OE1 GLN A 96 11.053 -10.592 8.113 1.00 0.00 O flip ATOM 1550 NE2 GLN A 96 10.105 -8.598 7.708 1.00 0.00 N flip ATOM 0 H GLN A 96 10.026 -10.145 3.524 1.00 0.00 H new ATOM 0 HA GLN A 96 12.213 -10.714 5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.537 -12.119 4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.581 -12.243 6.393 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.255 -9.652 5.541 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.514 -10.784 6.654 1.00 0.00 H new ATOM 0 HE21 GLN A 96 9.470 -8.018 7.160 1.00 0.00 H new ATOM 0 HE22 GLN A 96 10.628 -8.190 8.483 1.00 0.00 H new ATOM 1619 N ASP A 101 15.906 -8.127 -0.730 1.00 0.00 N ATOM 1620 CA ASP A 101 16.318 -6.959 -1.496 1.00 0.00 C ATOM 1621 C ASP A 101 15.096 -6.156 -1.926 1.00 0.00 C ATOM 1622 O ASP A 101 15.175 -5.305 -2.812 1.00 0.00 O ATOM 1623 CB ASP A 101 17.127 -7.387 -2.722 1.00 0.00 C ATOM 1624 CG ASP A 101 16.333 -8.283 -3.653 1.00 0.00 C ATOM 1625 OD1 ASP A 101 16.322 -9.511 -3.427 1.00 0.00 O ATOM 1626 OD2 ASP A 101 15.723 -7.755 -4.606 1.00 0.00 O ATOM 0 HA ASP A 101 16.947 -6.331 -0.865 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.454 -6.501 -3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 101 18.026 -7.911 -2.396 1.00 0.00 H new ATOM 1631 N GLU A 102 13.965 -6.440 -1.286 1.00 0.00 N ATOM 1632 CA GLU A 102 12.714 -5.758 -1.588 1.00 0.00 C ATOM 1633 C GLU A 102 12.259 -4.911 -0.421 1.00 0.00 C ATOM 1634 O GLU A 102 13.051 -4.539 0.447 1.00 0.00 O ATOM 1635 CB GLU A 102 11.610 -6.756 -1.912 1.00 0.00 C ATOM 1636 CG GLU A 102 11.874 -7.565 -3.153 1.00 0.00 C ATOM 1637 CD GLU A 102 10.620 -7.810 -3.964 1.00 0.00 C ATOM 1638 OE1 GLU A 102 9.888 -6.833 -4.220 1.00 0.00 O ATOM 1639 OE2 GLU A 102 10.367 -8.974 -4.335 1.00 0.00 O ATOM 0 H GLU A 102 13.891 -7.143 -0.551 1.00 0.00 H new ATOM 0 HA GLU A 102 12.902 -5.122 -2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.484 -7.433 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.670 -6.218 -2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.607 -7.047 -3.771 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.314 -8.522 -2.872 1.00 0.00 H new ATOM 1646 N ILE A 103 10.965 -4.622 -0.409 1.00 0.00 N ATOM 1647 CA ILE A 103 10.376 -3.808 0.645 1.00 0.00 C ATOM 1648 C ILE A 103 8.931 -4.202 0.936 1.00 0.00 C ATOM 1649 O ILE A 103 8.031 -3.966 0.129 1.00 0.00 O ATOM 1650 CB ILE A 103 10.421 -2.306 0.279 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.865 -1.866 0.011 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.773 -1.457 1.372 1.00 0.00 C ATOM 1653 CD1 ILE A 103 12.001 -0.476 -0.575 1.00 0.00 C ATOM 0 H ILE A 103 10.303 -4.939 -1.117 1.00 0.00 H new ATOM 0 HA ILE A 103 10.973 -3.987 1.539 1.00 0.00 H new ATOM 0 HB ILE A 103 9.846 -2.155 -0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.424 -1.908 0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.328 -2.580 -0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.818 -0.405 1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.732 -1.756 1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.306 -1.604 2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 103 13.055 -0.249 -0.732 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.474 -0.430 -1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.571 0.252 0.113 1.00 0.00 H new ATOM 1665 N GLU A 104 8.730 -4.814 2.097 1.00 0.00 N ATOM 1666 CA GLU A 104 7.410 -5.216 2.547 1.00 0.00 C ATOM 1667 C GLU A 104 6.680 -4.008 3.115 1.00 0.00 C ATOM 1668 O GLU A 104 7.024 -3.512 4.188 1.00 0.00 O ATOM 1669 CB GLU A 104 7.537 -6.290 3.619 1.00 0.00 C ATOM 1670 CG GLU A 104 6.297 -7.149 3.767 1.00 0.00 C ATOM 1671 CD GLU A 104 6.469 -8.253 4.791 1.00 0.00 C ATOM 1672 OE1 GLU A 104 6.255 -7.987 5.993 1.00 0.00 O ATOM 1673 OE2 GLU A 104 6.818 -9.385 4.393 1.00 0.00 O ATOM 0 H GLU A 104 9.479 -5.044 2.750 1.00 0.00 H new ATOM 0 HA GLU A 104 6.847 -5.617 1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.386 -6.930 3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.755 -5.814 4.575 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.456 -6.519 4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.048 -7.590 2.802 1.00 0.00 H new ATOM 1680 N THR A 105 5.675 -3.540 2.396 1.00 0.00 N ATOM 1681 CA THR A 105 4.920 -2.372 2.817 1.00 0.00 C ATOM 1682 C THR A 105 3.490 -2.727 3.207 1.00 0.00 C ATOM 1683 O THR A 105 2.707 -3.200 2.383 1.00 0.00 O ATOM 1684 CB THR A 105 4.916 -1.315 1.699 1.00 0.00 C ATOM 1685 OG1 THR A 105 6.216 -0.729 1.605 1.00 0.00 O ATOM 1686 CG2 THR A 105 3.882 -0.227 1.946 1.00 0.00 C ATOM 0 H THR A 105 5.362 -3.951 1.517 1.00 0.00 H new ATOM 0 HA THR A 105 5.410 -1.965 3.702 1.00 0.00 H new ATOM 0 HB THR A 105 4.652 -1.812 0.765 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.359 -0.395 0.695 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.914 0.497 1.132 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.889 -0.673 1.995 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.101 0.276 2.888 1.00 0.00 H new ATOM 1694 N ILE A 106 3.160 -2.490 4.475 1.00 0.00 N ATOM 1695 CA ILE A 106 1.819 -2.771 4.977 1.00 0.00 C ATOM 1696 C ILE A 106 0.951 -1.524 4.912 1.00 0.00 C ATOM 1697 O ILE A 106 1.065 -0.631 5.752 1.00 0.00 O ATOM 1698 CB ILE A 106 1.832 -3.289 6.432 1.00 0.00 C ATOM 1699 CG1 ILE A 106 2.539 -4.643 6.512 1.00 0.00 C ATOM 1700 CG2 ILE A 106 0.404 -3.399 6.968 1.00 0.00 C ATOM 1701 CD1 ILE A 106 4.044 -4.558 6.369 1.00 0.00 C ATOM 0 H ILE A 106 3.800 -2.106 5.170 1.00 0.00 H new ATOM 0 HA ILE A 106 1.408 -3.552 4.337 1.00 0.00 H new ATOM 0 HB ILE A 106 2.381 -2.578 7.049 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.300 -5.111 7.467 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.146 -5.294 5.731 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.428 -3.765 7.994 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.070 -2.418 6.944 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.165 -4.092 6.348 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.473 -5.558 6.436 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.294 -4.120 5.402 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.450 -3.934 7.165 1.00 0.00 H new ATOM 1713 N ILE A 107 0.087 -1.471 3.911 1.00 0.00 N ATOM 1714 CA ILE A 107 -0.802 -0.337 3.740 1.00 0.00 C ATOM 1715 C ILE A 107 -2.048 -0.479 4.612 1.00 0.00 C ATOM 1716 O ILE A 107 -2.924 -1.291 4.328 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.215 -0.183 2.277 1.00 0.00 C ATOM 1718 CG1 ILE A 107 0.030 -0.005 1.413 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -2.143 1.006 2.135 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.252 -0.090 -0.065 1.00 0.00 C ATOM 0 H ILE A 107 -0.016 -2.201 3.206 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.257 0.554 4.050 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.744 -1.077 1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.482 0.962 1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.761 -0.768 1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.437 1.115 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.031 0.850 2.748 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.630 1.910 2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.676 0.045 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.676 -1.066 -0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.960 0.690 -0.346 1.00 0.00 H new ATOM 1732 N CYS A 108 -2.123 0.328 5.667 1.00 0.00 N ATOM 1733 CA CYS A 108 -3.253 0.278 6.595 1.00 0.00 C ATOM 1734 C CYS A 108 -4.210 1.450 6.393 1.00 0.00 C ATOM 1735 O CYS A 108 -3.792 2.606 6.336 1.00 0.00 O ATOM 1736 CB CYS A 108 -2.740 0.277 8.036 1.00 0.00 C ATOM 1737 SG CYS A 108 -4.037 0.422 9.286 1.00 0.00 S ATOM 0 H CYS A 108 -1.416 1.025 5.902 1.00 0.00 H new ATOM 0 HA CYS A 108 -3.804 -0.641 6.394 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -2.184 -0.644 8.211 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.038 1.101 8.160 1.00 0.00 H new ATOM 0 HG CYS A 108 -5.038 -0.342 8.963 1.00 0.00 H new ATOM 1743 N THR A 109 -5.500 1.139 6.295 1.00 0.00 N ATOM 1744 CA THR A 109 -6.528 2.161 6.121 1.00 0.00 C ATOM 1745 C THR A 109 -6.605 3.053 7.354 1.00 0.00 C ATOM 1746 O THR A 109 -6.499 2.571 8.482 1.00 0.00 O ATOM 1747 CB THR A 109 -7.916 1.532 5.899 1.00 0.00 C ATOM 1748 OG1 THR A 109 -8.248 0.676 6.999 1.00 0.00 O ATOM 1749 CG2 THR A 109 -7.950 0.739 4.606 1.00 0.00 C ATOM 0 H THR A 109 -5.859 0.185 6.333 1.00 0.00 H new ATOM 0 HA THR A 109 -6.251 2.746 5.244 1.00 0.00 H new ATOM 0 HB THR A 109 -8.648 2.337 5.832 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.133 0.281 6.851 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.941 0.305 4.472 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.727 1.399 3.768 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.207 -0.058 4.648 1.00 0.00 H new ATOM 1757 N ASN A 110 -6.785 4.350 7.141 1.00 0.00 N ATOM 1758 CA ASN A 110 -6.883 5.292 8.251 1.00 0.00 C ATOM 1759 C ASN A 110 -8.246 5.981 8.265 1.00 0.00 C ATOM 1760 O ASN A 110 -9.131 5.597 9.028 1.00 0.00 O ATOM 1761 CB ASN A 110 -5.762 6.330 8.176 1.00 0.00 C ATOM 1762 CG ASN A 110 -5.645 7.145 9.451 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -6.646 7.484 10.080 1.00 0.00 O ATOM 1764 ND2 ASN A 110 -4.414 7.453 9.846 1.00 0.00 N ATOM 0 H ASN A 110 -6.866 4.773 6.216 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.776 4.731 9.179 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -4.815 5.826 7.982 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.945 6.999 7.335 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -4.272 7.991 10.701 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -3.611 7.152 9.294 1.00 0.00 H new