USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=27 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 75 MET CE :methyl -169:sc= -4.9! (180deg=-3.88!) USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -0.618 F(o=-8.4,f=-5.5) USER MOD Set 2.1: A 36 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Set 2.2: A 38 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Set 3.1: A 16 HIS : no HE2:sc= -2.62 K(o=-1.9,f=-19!) USER MOD Set 3.2: A 60 SER OG : rot -95:sc= 0.936 USER MOD Set 3.3: A 90 THR OG1 : rot 113:sc= -1.84! USER MOD Set 3.4: A 92 SER OG : rot 155:sc= 0.488 USER MOD Set 3.5: A 105 THR OG1 : rot 155:sc= 1.17 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -137:sc= -2.19! USER MOD Single : A 17 ASN : amide:sc= -3.03 K(o=-3,f=-16!) USER MOD Single : A 23 THR OG1 : rot 151:sc= 0.501 USER MOD Single : A 27 HIS : no HD1:sc= -0.161 X(o=-0.16,f=0.0015) USER MOD Single : A 29 CYS SG : rot 72:sc= -2.93 USER MOD Single : A 32 THR OG1 : rot 74:sc= 0.868 USER MOD Single : A 35 TYR OH : rot 113:sc=0.000537 USER MOD Single : A 43 LYS NZ :NH3+ -129:sc= -0.249 (180deg=-1.03) USER MOD Single : A 44 ASN : amide:sc= -3.5! C(o=-3.5!,f=-7.6!) USER MOD Single : A 49 CYS SG : rot -52:sc= -2.04 USER MOD Single : A 50 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-5.6!) USER MOD Single : A 54 GLN : amide:sc= -2.65! C(o=-2.6!,f=-6.7!) USER MOD Single : A 55 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.16) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.327 F(o=-1.1,f=-0.33) USER MOD Single : A 63 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.019) USER MOD Single : A 66 LYS NZ :NH3+ 167:sc= -0.015 (180deg=-0.22) USER MOD Single : A 68 LYS NZ :NH3+ -156:sc= -0.975 (180deg=-0.99) USER MOD Single : A 70 GLN : amide:sc= -0.254 X(o=-0.25,f=-0.56) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 55:sc= -4.09! USER MOD Single : A 81 LYS NZ :NH3+ -165:sc= -0.0229 (180deg=-0.259) USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 83 GLN : amide:sc= -1.72 X(o=-1.7,f=-1.4) USER MOD Single : A 88 MET CE :methyl 144:sc= -8.79! (180deg=-11.9!) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0724 F(o=-2!,f=-0.072) USER MOD Single : A 94 THR OG1 : rot 3:sc= 0.386 USER MOD Single : A 96 GLN : amide:sc= -0.033 X(o=-0.033,f=-0.34) USER MOD Single : A 108 CYS SG : rot 39:sc= 1.06 USER MOD Single : A 109 THR OG1 : rot -58:sc= 0.0661 USER MOD ----------------------------------------------------------------- ATOM 90 N GLN A 8 -14.492 -6.724 5.089 1.00 0.00 N ATOM 91 CA GLN A 8 -13.956 -5.422 5.478 1.00 0.00 C ATOM 92 C GLN A 8 -12.438 -5.474 5.661 1.00 0.00 C ATOM 93 O GLN A 8 -11.879 -6.501 6.046 1.00 0.00 O ATOM 94 CB GLN A 8 -14.620 -4.911 6.753 1.00 0.00 C ATOM 95 CG GLN A 8 -16.138 -4.946 6.703 1.00 0.00 C ATOM 96 CD GLN A 8 -16.778 -4.479 7.996 1.00 0.00 C ATOM 97 OE1 GLN A 8 -16.212 -4.642 9.076 1.00 0.00 O ATOM 98 NE2 GLN A 8 -17.965 -3.892 7.891 1.00 0.00 N ATOM 0 HA GLN A 8 -14.179 -4.728 4.668 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.278 -5.511 7.596 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -14.294 -3.887 6.937 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -16.485 -4.317 5.883 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -16.467 -5.962 6.486 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.398 -3.777 6.975 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -18.443 -3.556 8.727 1.00 0.00 H new ATOM 107 N PRO A 9 -11.757 -4.351 5.379 1.00 0.00 N ATOM 108 CA PRO A 9 -10.306 -4.238 5.484 1.00 0.00 C ATOM 109 C PRO A 9 -9.818 -3.673 6.815 1.00 0.00 C ATOM 110 O PRO A 9 -10.511 -3.718 7.831 1.00 0.00 O ATOM 111 CB PRO A 9 -10.013 -3.238 4.385 1.00 0.00 C ATOM 112 CG PRO A 9 -11.142 -2.276 4.492 1.00 0.00 C ATOM 113 CD PRO A 9 -12.346 -3.089 4.905 1.00 0.00 C ATOM 0 HA PRO A 9 -9.816 -5.209 5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.051 -2.748 4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.981 -3.714 3.405 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.925 -1.500 5.226 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.318 -1.774 3.541 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.917 -2.592 5.689 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.027 -3.252 4.070 1.00 0.00 H new ATOM 121 N THR A 10 -8.603 -3.134 6.763 1.00 0.00 N ATOM 122 CA THR A 10 -7.930 -2.528 7.907 1.00 0.00 C ATOM 123 C THR A 10 -6.509 -2.166 7.492 1.00 0.00 C ATOM 124 O THR A 10 -6.027 -1.060 7.736 1.00 0.00 O ATOM 125 CB THR A 10 -7.889 -3.472 9.125 1.00 0.00 C ATOM 126 OG1 THR A 10 -7.019 -2.941 10.132 1.00 0.00 O ATOM 127 CG2 THR A 10 -7.422 -4.861 8.728 1.00 0.00 C ATOM 0 H THR A 10 -8.048 -3.106 5.908 1.00 0.00 H new ATOM 0 HA THR A 10 -8.489 -1.641 8.206 1.00 0.00 H new ATOM 0 HB THR A 10 -8.901 -3.550 9.522 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.001 -3.547 10.902 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.403 -5.504 9.608 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.106 -5.277 7.989 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.421 -4.800 8.302 1.00 0.00 H new ATOM 135 N GLU A 11 -5.860 -3.131 6.854 1.00 0.00 N ATOM 136 CA GLU A 11 -4.507 -2.988 6.338 1.00 0.00 C ATOM 137 C GLU A 11 -4.197 -4.171 5.448 1.00 0.00 C ATOM 138 O GLU A 11 -4.522 -5.310 5.787 1.00 0.00 O ATOM 139 CB GLU A 11 -3.480 -2.904 7.459 1.00 0.00 C ATOM 140 CG GLU A 11 -3.491 -4.106 8.381 1.00 0.00 C ATOM 141 CD GLU A 11 -2.422 -4.032 9.453 1.00 0.00 C ATOM 142 OE1 GLU A 11 -2.648 -3.343 10.470 1.00 0.00 O ATOM 143 OE2 GLU A 11 -1.360 -4.666 9.278 1.00 0.00 O ATOM 0 H GLU A 11 -6.266 -4.050 6.678 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.450 -2.058 5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.486 -2.799 7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.667 -2.005 8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.469 -4.186 8.855 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.347 -5.012 7.792 1.00 0.00 H new ATOM 150 N PHE A 12 -3.578 -3.911 4.316 1.00 0.00 N ATOM 151 CA PHE A 12 -3.244 -4.990 3.406 1.00 0.00 C ATOM 152 C PHE A 12 -1.756 -4.997 3.126 1.00 0.00 C ATOM 153 O PHE A 12 -1.165 -3.977 2.766 1.00 0.00 O ATOM 154 CB PHE A 12 -4.074 -4.920 2.115 1.00 0.00 C ATOM 155 CG PHE A 12 -3.647 -3.875 1.120 1.00 0.00 C ATOM 156 CD1 PHE A 12 -2.674 -4.162 0.176 1.00 0.00 C ATOM 157 CD2 PHE A 12 -4.245 -2.624 1.105 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.300 -3.218 -0.760 1.00 0.00 C ATOM 159 CE2 PHE A 12 -3.877 -1.677 0.168 1.00 0.00 C ATOM 160 CZ PHE A 12 -2.902 -1.977 -0.767 1.00 0.00 C ATOM 0 H PHE A 12 -3.299 -2.980 4.006 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.500 -5.935 3.885 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.038 -5.895 1.628 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.114 -4.736 2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.203 -5.134 0.172 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.006 -2.387 1.833 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.536 -3.451 -1.487 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.349 -0.706 0.166 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.613 -1.240 -1.502 1.00 0.00 H new ATOM 170 N ILE A 13 -1.156 -6.159 3.312 1.00 0.00 N ATOM 171 CA ILE A 13 0.269 -6.318 3.115 1.00 0.00 C ATOM 172 C ILE A 13 0.619 -6.487 1.650 1.00 0.00 C ATOM 173 O ILE A 13 0.383 -7.539 1.064 1.00 0.00 O ATOM 174 CB ILE A 13 0.801 -7.535 3.884 1.00 0.00 C ATOM 175 CG1 ILE A 13 0.371 -7.474 5.350 1.00 0.00 C ATOM 176 CG2 ILE A 13 2.313 -7.595 3.767 1.00 0.00 C ATOM 177 CD1 ILE A 13 0.158 -8.837 5.970 1.00 0.00 C ATOM 0 H ILE A 13 -1.639 -7.010 3.601 1.00 0.00 H new ATOM 0 HA ILE A 13 0.735 -5.408 3.492 1.00 0.00 H new ATOM 0 HB ILE A 13 0.380 -8.441 3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.129 -6.937 5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.552 -6.900 5.427 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.686 -8.460 4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.594 -7.681 2.717 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.747 -6.687 4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.145 -8.720 7.010 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.621 -9.368 5.422 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.086 -9.406 5.925 1.00 0.00 H new ATOM 189 N SER A 14 1.181 -5.447 1.061 1.00 0.00 N ATOM 190 CA SER A 14 1.588 -5.508 -0.328 1.00 0.00 C ATOM 191 C SER A 14 3.092 -5.359 -0.423 1.00 0.00 C ATOM 192 O SER A 14 3.670 -4.407 0.100 1.00 0.00 O ATOM 193 CB SER A 14 0.902 -4.414 -1.143 1.00 0.00 C ATOM 194 OG SER A 14 0.705 -4.825 -2.480 1.00 0.00 O ATOM 0 H SER A 14 1.365 -4.555 1.521 1.00 0.00 H new ATOM 0 HA SER A 14 1.292 -6.474 -0.736 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.058 -4.166 -0.690 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.507 -3.508 -1.123 1.00 0.00 H new ATOM 0 HG SER A 14 0.937 -4.090 -3.086 1.00 0.00 H new ATOM 200 N ARG A 15 3.716 -6.306 -1.094 1.00 0.00 N ATOM 201 CA ARG A 15 5.147 -6.280 -1.276 1.00 0.00 C ATOM 202 C ARG A 15 5.452 -5.651 -2.614 1.00 0.00 C ATOM 203 O ARG A 15 4.607 -5.654 -3.506 1.00 0.00 O ATOM 204 CB ARG A 15 5.732 -7.686 -1.188 1.00 0.00 C ATOM 205 CG ARG A 15 5.973 -8.149 0.238 1.00 0.00 C ATOM 206 CD ARG A 15 6.524 -9.565 0.281 1.00 0.00 C ATOM 207 NE ARG A 15 5.558 -10.542 -0.214 1.00 0.00 N ATOM 208 CZ ARG A 15 5.198 -11.632 0.458 1.00 0.00 C ATOM 209 NH1 ARG A 15 5.723 -11.885 1.651 1.00 0.00 N ATOM 210 NH2 ARG A 15 4.312 -12.470 -0.061 1.00 0.00 N ATOM 0 H ARG A 15 3.249 -7.105 -1.523 1.00 0.00 H new ATOM 0 HA ARG A 15 5.606 -5.689 -0.483 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.055 -8.385 -1.680 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.674 -7.715 -1.736 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.672 -7.471 0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.039 -8.104 0.798 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.433 -9.619 -0.318 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.801 -9.816 1.305 1.00 0.00 H new ATOM 0 HE ARG A 15 5.135 -10.379 -1.128 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.405 -11.243 2.055 1.00 0.00 H new ATOM 0 HH12 ARG A 15 5.445 -12.722 2.164 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.905 -12.279 -0.977 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.037 -13.305 0.455 1.00 0.00 H new ATOM 224 N HIS A 16 6.643 -5.104 -2.755 1.00 0.00 N ATOM 225 CA HIS A 16 7.009 -4.450 -3.994 1.00 0.00 C ATOM 226 C HIS A 16 8.501 -4.163 -4.048 1.00 0.00 C ATOM 227 O HIS A 16 9.232 -4.428 -3.093 1.00 0.00 O ATOM 228 CB HIS A 16 6.245 -3.135 -4.098 1.00 0.00 C ATOM 229 CG HIS A 16 6.518 -2.225 -2.945 1.00 0.00 C ATOM 230 ND1 HIS A 16 7.780 -1.765 -2.645 1.00 0.00 N ATOM 231 CD2 HIS A 16 5.697 -1.714 -1.998 1.00 0.00 C ATOM 232 CE1 HIS A 16 7.730 -1.013 -1.569 1.00 0.00 C ATOM 233 NE2 HIS A 16 6.477 -0.963 -1.156 1.00 0.00 N ATOM 0 H HIS A 16 7.366 -5.099 -2.036 1.00 0.00 H new ATOM 0 HA HIS A 16 6.758 -5.111 -4.823 1.00 0.00 H new ATOM 0 HB2 HIS A 16 6.517 -2.632 -5.026 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.176 -3.342 -4.149 1.00 0.00 H new ATOM 0 HD1 HIS A 16 8.625 -1.976 -3.177 1.00 0.00 H new ATOM 0 HD2 HIS A 16 4.631 -1.868 -1.920 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.570 -0.520 -1.102 1.00 0.00 H new ATOM 242 N ASN A 17 8.943 -3.621 -5.173 1.00 0.00 N ATOM 243 CA ASN A 17 10.337 -3.252 -5.340 1.00 0.00 C ATOM 244 C ASN A 17 10.523 -1.824 -4.850 1.00 0.00 C ATOM 245 O ASN A 17 9.550 -1.169 -4.486 1.00 0.00 O ATOM 246 CB ASN A 17 10.760 -3.368 -6.807 1.00 0.00 C ATOM 247 CG ASN A 17 9.868 -2.568 -7.737 1.00 0.00 C ATOM 248 OD1 ASN A 17 9.071 -1.742 -7.295 1.00 0.00 O ATOM 249 ND2 ASN A 17 10.010 -2.800 -9.035 1.00 0.00 N ATOM 0 H ASN A 17 8.354 -3.428 -5.983 1.00 0.00 H new ATOM 0 HA ASN A 17 10.963 -3.930 -4.760 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.789 -3.025 -6.913 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.741 -4.416 -7.105 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.446 -2.284 -9.710 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.684 -3.494 -9.358 1.00 0.00 H new ATOM 256 N ILE A 18 11.752 -1.334 -4.837 1.00 0.00 N ATOM 257 CA ILE A 18 11.998 0.025 -4.379 1.00 0.00 C ATOM 258 C ILE A 18 11.085 1.012 -5.107 1.00 0.00 C ATOM 259 O ILE A 18 10.616 1.990 -4.525 1.00 0.00 O ATOM 260 CB ILE A 18 13.457 0.447 -4.598 1.00 0.00 C ATOM 261 CG1 ILE A 18 13.692 1.842 -4.017 1.00 0.00 C ATOM 262 CG2 ILE A 18 13.794 0.403 -6.079 1.00 0.00 C ATOM 263 CD1 ILE A 18 13.453 1.927 -2.526 1.00 0.00 C ATOM 0 H ILE A 18 12.583 -1.846 -5.133 1.00 0.00 H new ATOM 0 HA ILE A 18 11.787 0.040 -3.310 1.00 0.00 H new ATOM 0 HB ILE A 18 14.116 -0.250 -4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.717 2.147 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.037 2.552 -4.522 1.00 0.00 H new ATOM 0 HG21 ILE A 18 14.831 0.704 -6.225 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.654 -0.611 -6.454 1.00 0.00 H new ATOM 0 HG23 ILE A 18 13.139 1.084 -6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 18 13.639 2.945 -2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 18 12.421 1.654 -2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.127 1.243 -2.010 1.00 0.00 H new ATOM 275 N GLU A 19 10.839 0.736 -6.387 1.00 0.00 N ATOM 276 CA GLU A 19 9.976 1.583 -7.209 1.00 0.00 C ATOM 277 C GLU A 19 8.589 1.663 -6.606 1.00 0.00 C ATOM 278 O GLU A 19 7.917 2.691 -6.678 1.00 0.00 O ATOM 279 CB GLU A 19 9.836 1.004 -8.619 1.00 0.00 C ATOM 280 CG GLU A 19 10.913 1.429 -9.593 1.00 0.00 C ATOM 281 CD GLU A 19 11.086 2.933 -9.659 1.00 0.00 C ATOM 282 OE1 GLU A 19 11.894 3.473 -8.874 1.00 0.00 O ATOM 283 OE2 GLU A 19 10.413 3.571 -10.496 1.00 0.00 O ATOM 0 H GLU A 19 11.226 -0.070 -6.878 1.00 0.00 H new ATOM 0 HA GLU A 19 10.432 2.572 -7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.837 -0.084 -8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.866 1.297 -9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.859 0.972 -9.304 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.667 1.052 -10.586 1.00 0.00 H new ATOM 290 N GLY A 20 8.180 0.561 -6.003 1.00 0.00 N ATOM 291 CA GLY A 20 6.867 0.477 -5.413 1.00 0.00 C ATOM 292 C GLY A 20 6.004 -0.535 -6.137 1.00 0.00 C ATOM 293 O GLY A 20 4.912 -0.871 -5.681 1.00 0.00 O ATOM 0 H GLY A 20 8.742 -0.285 -5.912 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.955 0.199 -4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.388 1.456 -5.444 1.00 0.00 H new ATOM 297 N ILE A 21 6.502 -1.017 -7.280 1.00 0.00 N ATOM 298 CA ILE A 21 5.791 -2.004 -8.069 1.00 0.00 C ATOM 299 C ILE A 21 5.469 -3.222 -7.229 1.00 0.00 C ATOM 300 O ILE A 21 6.365 -3.934 -6.783 1.00 0.00 O ATOM 301 CB ILE A 21 6.614 -2.453 -9.270 1.00 0.00 C ATOM 302 CG1 ILE A 21 7.245 -1.236 -9.964 1.00 0.00 C ATOM 303 CG2 ILE A 21 5.725 -3.259 -10.203 1.00 0.00 C ATOM 304 CD1 ILE A 21 6.274 -0.390 -10.757 1.00 0.00 C ATOM 0 H ILE A 21 7.399 -0.732 -7.673 1.00 0.00 H new ATOM 0 HA ILE A 21 4.872 -1.534 -8.418 1.00 0.00 H new ATOM 0 HB ILE A 21 7.436 -3.094 -8.951 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.720 -0.609 -9.209 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.033 -1.583 -10.632 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.305 -3.585 -11.066 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.339 -4.131 -9.675 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.893 -2.640 -10.538 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.806 0.445 -11.212 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.817 -0.997 -11.538 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.498 -0.008 -10.093 1.00 0.00 H new ATOM 316 N PHE A 22 4.189 -3.483 -7.071 1.00 0.00 N ATOM 317 CA PHE A 22 3.724 -4.579 -6.247 1.00 0.00 C ATOM 318 C PHE A 22 4.156 -5.945 -6.755 1.00 0.00 C ATOM 319 O PHE A 22 3.657 -6.435 -7.765 1.00 0.00 O ATOM 320 CB PHE A 22 2.211 -4.532 -6.165 1.00 0.00 C ATOM 321 CG PHE A 22 1.679 -3.423 -5.301 1.00 0.00 C ATOM 322 CD1 PHE A 22 2.295 -3.077 -4.103 1.00 0.00 C ATOM 323 CD2 PHE A 22 0.554 -2.728 -5.687 1.00 0.00 C ATOM 324 CE1 PHE A 22 1.785 -2.054 -3.322 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.041 -1.713 -4.913 1.00 0.00 C ATOM 326 CZ PHE A 22 0.655 -1.375 -3.731 1.00 0.00 C ATOM 0 H PHE A 22 3.443 -2.943 -7.509 1.00 0.00 H new ATOM 0 HA PHE A 22 4.178 -4.451 -5.265 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.806 -4.421 -7.171 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.849 -5.485 -5.779 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.177 -3.610 -3.780 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.065 -2.985 -6.615 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.270 -1.788 -2.395 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.843 -1.182 -5.234 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.254 -0.578 -3.122 1.00 0.00 H new ATOM 336 N THR A 23 5.085 -6.557 -6.041 1.00 0.00 N ATOM 337 CA THR A 23 5.541 -7.890 -6.373 1.00 0.00 C ATOM 338 C THR A 23 4.660 -8.890 -5.635 1.00 0.00 C ATOM 339 O THR A 23 4.814 -10.106 -5.754 1.00 0.00 O ATOM 340 CB THR A 23 7.018 -8.089 -5.998 1.00 0.00 C ATOM 341 OG1 THR A 23 7.188 -7.965 -4.582 1.00 0.00 O ATOM 342 CG2 THR A 23 7.879 -7.057 -6.714 1.00 0.00 C ATOM 0 H THR A 23 5.538 -6.147 -5.224 1.00 0.00 H new ATOM 0 HA THR A 23 5.465 -8.042 -7.450 1.00 0.00 H new ATOM 0 HB THR A 23 7.328 -9.088 -6.305 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.946 -8.515 -4.294 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.924 -7.204 -6.443 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.764 -7.172 -7.792 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.566 -6.055 -6.420 1.00 0.00 H new ATOM 350 N PHE A 24 3.724 -8.325 -4.866 1.00 0.00 N ATOM 351 CA PHE A 24 2.753 -9.079 -4.087 1.00 0.00 C ATOM 352 C PHE A 24 1.751 -8.116 -3.459 1.00 0.00 C ATOM 353 O PHE A 24 2.080 -6.969 -3.171 1.00 0.00 O ATOM 354 CB PHE A 24 3.423 -9.912 -2.990 1.00 0.00 C ATOM 355 CG PHE A 24 2.449 -10.431 -1.960 1.00 0.00 C ATOM 356 CD1 PHE A 24 1.806 -11.646 -2.145 1.00 0.00 C ATOM 357 CD2 PHE A 24 2.158 -9.694 -0.818 1.00 0.00 C ATOM 358 CE1 PHE A 24 0.896 -12.115 -1.213 1.00 0.00 C ATOM 359 CE2 PHE A 24 1.247 -10.158 0.112 1.00 0.00 C ATOM 360 CZ PHE A 24 0.617 -11.369 -0.084 1.00 0.00 C ATOM 0 H PHE A 24 3.623 -7.315 -4.770 1.00 0.00 H new ATOM 0 HA PHE A 24 2.244 -9.768 -4.761 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.941 -10.755 -3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.179 -9.305 -2.492 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.018 -12.233 -3.026 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.650 -8.747 -0.655 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.404 -13.064 -1.368 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.028 -9.572 0.992 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.093 -11.734 0.644 1.00 0.00 H new ATOM 370 N VAL A 25 0.527 -8.584 -3.275 1.00 0.00 N ATOM 371 CA VAL A 25 -0.526 -7.786 -2.661 1.00 0.00 C ATOM 372 C VAL A 25 -1.467 -8.692 -1.889 1.00 0.00 C ATOM 373 O VAL A 25 -1.969 -9.685 -2.411 1.00 0.00 O ATOM 374 CB VAL A 25 -1.340 -6.963 -3.691 1.00 0.00 C ATOM 375 CG1 VAL A 25 -2.088 -5.837 -3.003 1.00 0.00 C ATOM 376 CG2 VAL A 25 -0.450 -6.404 -4.786 1.00 0.00 C ATOM 0 H VAL A 25 0.235 -9.523 -3.545 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.037 -7.076 -1.993 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.060 -7.638 -4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.654 -5.271 -3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.772 -6.253 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.376 -5.177 -2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.055 -5.833 -5.490 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.305 -5.753 -4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.040 -7.224 -5.311 1.00 0.00 H new ATOM 386 N ASP A 26 -1.669 -8.357 -0.632 1.00 0.00 N ATOM 387 CA ASP A 26 -2.541 -9.123 0.235 1.00 0.00 C ATOM 388 C ASP A 26 -4.002 -8.911 -0.174 1.00 0.00 C ATOM 389 O ASP A 26 -4.428 -7.784 -0.417 1.00 0.00 O ATOM 390 CB ASP A 26 -2.270 -8.712 1.679 1.00 0.00 C ATOM 391 CG ASP A 26 -3.419 -9.020 2.618 1.00 0.00 C ATOM 392 OD1 ASP A 26 -3.982 -10.129 2.523 1.00 0.00 O ATOM 393 OD2 ASP A 26 -3.747 -8.154 3.456 1.00 0.00 O ATOM 0 H ASP A 26 -1.236 -7.550 -0.183 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.342 -10.191 0.143 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.375 -9.223 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.061 -7.643 1.711 1.00 0.00 H new ATOM 398 N HIS A 27 -4.755 -10.010 -0.258 1.00 0.00 N ATOM 399 CA HIS A 27 -6.159 -9.984 -0.695 1.00 0.00 C ATOM 400 C HIS A 27 -7.026 -8.970 0.052 1.00 0.00 C ATOM 401 O HIS A 27 -8.146 -8.692 -0.373 1.00 0.00 O ATOM 402 CB HIS A 27 -6.772 -11.381 -0.593 1.00 0.00 C ATOM 403 CG HIS A 27 -7.016 -11.840 0.811 1.00 0.00 C ATOM 404 ND1 HIS A 27 -8.276 -12.099 1.310 1.00 0.00 N ATOM 405 CD2 HIS A 27 -6.155 -12.100 1.824 1.00 0.00 C ATOM 406 CE1 HIS A 27 -8.179 -12.497 2.566 1.00 0.00 C ATOM 407 NE2 HIS A 27 -6.902 -12.507 2.901 1.00 0.00 N ATOM 0 H HIS A 27 -4.413 -10.943 -0.026 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.143 -9.657 -1.735 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.717 -11.392 -1.137 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.111 -12.093 -1.087 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.080 -12.005 1.790 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.003 -12.768 3.209 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.531 -12.774 3.813 1.00 0.00 H new ATOM 416 N ARG A 28 -6.540 -8.424 1.157 1.00 0.00 N ATOM 417 CA ARG A 28 -7.314 -7.430 1.895 1.00 0.00 C ATOM 418 C ARG A 28 -7.447 -6.156 1.068 1.00 0.00 C ATOM 419 O ARG A 28 -8.383 -5.376 1.241 1.00 0.00 O ATOM 420 CB ARG A 28 -6.667 -7.113 3.241 1.00 0.00 C ATOM 421 CG ARG A 28 -7.045 -8.090 4.341 1.00 0.00 C ATOM 422 CD ARG A 28 -7.247 -7.378 5.668 1.00 0.00 C ATOM 423 NE ARG A 28 -7.836 -8.257 6.675 1.00 0.00 N ATOM 424 CZ ARG A 28 -7.335 -8.423 7.896 1.00 0.00 C ATOM 425 NH1 ARG A 28 -6.230 -7.785 8.258 1.00 0.00 N ATOM 426 NH2 ARG A 28 -7.939 -9.232 8.756 1.00 0.00 N ATOM 0 H ARG A 28 -5.629 -8.646 1.559 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.304 -7.844 2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.583 -7.113 3.123 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.955 -6.107 3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.959 -8.615 4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.264 -8.843 4.445 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.289 -7.004 6.029 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.892 -6.512 5.520 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.680 -8.773 6.428 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.761 -7.164 7.599 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.850 -7.915 9.195 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.788 -9.727 8.481 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.555 -9.359 9.692 1.00 0.00 H new ATOM 440 N CYS A 29 -6.486 -5.965 0.173 1.00 0.00 N ATOM 441 CA CYS A 29 -6.426 -4.804 -0.697 1.00 0.00 C ATOM 442 C CYS A 29 -7.743 -4.515 -1.415 1.00 0.00 C ATOM 443 O CYS A 29 -8.004 -3.377 -1.780 1.00 0.00 O ATOM 444 CB CYS A 29 -5.324 -5.017 -1.724 1.00 0.00 C ATOM 445 SG CYS A 29 -5.599 -6.432 -2.808 1.00 0.00 S ATOM 0 H CYS A 29 -5.718 -6.622 0.031 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.219 -3.939 -0.067 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.230 -4.118 -2.333 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -4.376 -5.150 -1.203 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.556 -6.159 -3.644 1.00 0.00 H new ATOM 451 N VAL A 30 -8.565 -5.527 -1.651 1.00 0.00 N ATOM 452 CA VAL A 30 -9.828 -5.288 -2.344 1.00 0.00 C ATOM 453 C VAL A 30 -10.852 -4.654 -1.403 1.00 0.00 C ATOM 454 O VAL A 30 -11.711 -3.892 -1.831 1.00 0.00 O ATOM 455 CB VAL A 30 -10.394 -6.569 -2.994 1.00 0.00 C ATOM 456 CG1 VAL A 30 -9.382 -7.696 -2.928 1.00 0.00 C ATOM 457 CG2 VAL A 30 -11.701 -6.982 -2.351 1.00 0.00 C ATOM 0 H VAL A 30 -8.391 -6.496 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.620 -4.588 -3.153 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.595 -6.349 -4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.801 -8.589 -3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.476 -7.403 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -9.140 -7.907 -1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.073 -7.887 -2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.540 -7.174 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -12.433 -6.182 -2.468 1.00 0.00 H new ATOM 467 N ALA A 31 -10.782 -4.996 -0.127 1.00 0.00 N ATOM 468 CA ALA A 31 -11.686 -4.408 0.850 1.00 0.00 C ATOM 469 C ALA A 31 -11.167 -3.037 1.246 1.00 0.00 C ATOM 470 O ALA A 31 -11.930 -2.136 1.596 1.00 0.00 O ATOM 471 CB ALA A 31 -11.807 -5.292 2.078 1.00 0.00 C ATOM 0 H ALA A 31 -10.117 -5.669 0.254 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.676 -4.314 0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.488 -4.830 2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.194 -6.268 1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.826 -5.413 2.537 1.00 0.00 H new ATOM 477 N THR A 32 -9.851 -2.898 1.152 1.00 0.00 N ATOM 478 CA THR A 32 -9.154 -1.673 1.520 1.00 0.00 C ATOM 479 C THR A 32 -9.211 -0.608 0.431 1.00 0.00 C ATOM 480 O THR A 32 -9.704 0.496 0.654 1.00 0.00 O ATOM 481 CB THR A 32 -7.680 -1.990 1.791 1.00 0.00 C ATOM 482 OG1 THR A 32 -7.566 -3.148 2.627 1.00 0.00 O ATOM 483 CG2 THR A 32 -6.983 -0.821 2.445 1.00 0.00 C ATOM 0 H THR A 32 -9.233 -3.637 0.816 1.00 0.00 H new ATOM 0 HA THR A 32 -9.654 -1.282 2.406 1.00 0.00 H new ATOM 0 HB THR A 32 -7.199 -2.187 0.833 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.768 -3.951 2.103 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.938 -1.075 2.625 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.037 0.048 1.789 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.470 -0.591 3.393 1.00 0.00 H new ATOM 491 N VAL A 33 -8.702 -0.949 -0.746 1.00 0.00 N ATOM 492 CA VAL A 33 -8.668 -0.021 -1.862 1.00 0.00 C ATOM 493 C VAL A 33 -9.506 -0.512 -3.032 1.00 0.00 C ATOM 494 O VAL A 33 -9.437 0.037 -4.127 1.00 0.00 O ATOM 495 CB VAL A 33 -7.222 0.221 -2.318 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.448 0.908 -1.209 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.558 -1.087 -2.689 1.00 0.00 C ATOM 0 H VAL A 33 -8.306 -1.867 -0.950 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.097 0.919 -1.514 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.230 0.862 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.422 1.079 -1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.919 1.863 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.447 0.276 -0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.534 -0.897 -3.010 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.550 -1.749 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.111 -1.558 -3.501 1.00 0.00 H new ATOM 507 N GLY A 34 -10.273 -1.568 -2.801 1.00 0.00 N ATOM 508 CA GLY A 34 -11.139 -2.095 -3.852 1.00 0.00 C ATOM 509 C GLY A 34 -10.389 -2.916 -4.877 1.00 0.00 C ATOM 510 O GLY A 34 -10.935 -3.853 -5.459 1.00 0.00 O ATOM 0 H GLY A 34 -10.316 -2.070 -1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.917 -2.710 -3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.639 -1.266 -4.353 1.00 0.00 H new ATOM 514 N TYR A 35 -9.135 -2.557 -5.096 1.00 0.00 N ATOM 515 CA TYR A 35 -8.292 -3.241 -6.059 1.00 0.00 C ATOM 516 C TYR A 35 -7.860 -4.610 -5.572 1.00 0.00 C ATOM 517 O TYR A 35 -7.212 -4.732 -4.534 1.00 0.00 O ATOM 518 CB TYR A 35 -7.066 -2.394 -6.334 1.00 0.00 C ATOM 519 CG TYR A 35 -7.416 -1.086 -6.966 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.143 -1.042 -8.144 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.034 0.103 -6.382 1.00 0.00 C ATOM 522 CE1 TYR A 35 -8.477 0.152 -8.726 1.00 0.00 C ATOM 523 CE2 TYR A 35 -7.359 1.309 -6.954 1.00 0.00 C ATOM 524 CZ TYR A 35 -8.083 1.333 -8.130 1.00 0.00 C ATOM 525 OH TYR A 35 -8.412 2.537 -8.710 1.00 0.00 O ATOM 0 H TYR A 35 -8.675 -1.786 -4.612 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.874 -3.385 -6.970 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.534 -2.214 -5.400 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.387 -2.942 -6.987 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.452 -1.965 -8.612 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.471 0.086 -5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.045 0.169 -9.645 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.050 2.233 -6.487 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.047 3.014 -8.136 1.00 0.00 H new ATOM 535 N GLN A 36 -8.226 -5.640 -6.324 1.00 0.00 N ATOM 536 CA GLN A 36 -7.838 -6.994 -5.987 1.00 0.00 C ATOM 537 C GLN A 36 -6.314 -7.075 -5.977 1.00 0.00 C ATOM 538 O GLN A 36 -5.654 -6.214 -6.558 1.00 0.00 O ATOM 539 CB GLN A 36 -8.421 -7.969 -7.010 1.00 0.00 C ATOM 540 CG GLN A 36 -9.933 -7.879 -7.137 1.00 0.00 C ATOM 541 CD GLN A 36 -10.504 -8.923 -8.076 1.00 0.00 C ATOM 542 OE1 GLN A 36 -9.848 -9.343 -9.030 1.00 0.00 O ATOM 543 NE2 GLN A 36 -11.734 -9.348 -7.810 1.00 0.00 N ATOM 0 H GLN A 36 -8.790 -5.559 -7.170 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.222 -7.262 -5.003 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.970 -7.775 -7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.147 -8.986 -6.729 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.384 -7.997 -6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.205 -6.886 -7.495 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -12.241 -8.973 -7.009 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -12.171 -10.050 -8.407 1.00 0.00 H new ATOM 552 N PRO A 37 -5.717 -8.073 -5.310 1.00 0.00 N ATOM 553 CA PRO A 37 -4.270 -8.189 -5.270 1.00 0.00 C ATOM 554 C PRO A 37 -3.659 -8.103 -6.658 1.00 0.00 C ATOM 555 O PRO A 37 -2.623 -7.474 -6.843 1.00 0.00 O ATOM 556 CB PRO A 37 -4.005 -9.553 -4.657 1.00 0.00 C ATOM 557 CG PRO A 37 -5.282 -10.021 -4.056 1.00 0.00 C ATOM 558 CD PRO A 37 -6.391 -9.127 -4.543 1.00 0.00 C ATOM 0 HA PRO A 37 -3.823 -7.377 -4.697 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.657 -10.254 -5.415 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.224 -9.489 -3.899 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.477 -11.056 -4.338 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.222 -9.993 -2.968 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.098 -9.677 -5.164 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.956 -8.709 -3.710 1.00 0.00 H new ATOM 566 N GLN A 38 -4.304 -8.739 -7.632 1.00 0.00 N ATOM 567 CA GLN A 38 -3.822 -8.708 -9.007 1.00 0.00 C ATOM 568 C GLN A 38 -4.067 -7.330 -9.612 1.00 0.00 C ATOM 569 O GLN A 38 -3.365 -6.902 -10.527 1.00 0.00 O ATOM 570 CB GLN A 38 -4.505 -9.782 -9.841 1.00 0.00 C ATOM 571 CG GLN A 38 -6.008 -9.652 -9.843 1.00 0.00 C ATOM 572 CD GLN A 38 -6.656 -10.305 -11.048 1.00 0.00 C ATOM 573 OE1 GLN A 38 -6.138 -11.279 -11.594 1.00 0.00 O ATOM 574 NE2 GLN A 38 -7.797 -9.771 -11.468 1.00 0.00 N ATOM 0 H GLN A 38 -5.158 -9.280 -7.494 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.751 -8.909 -9.005 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.139 -9.727 -10.866 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.230 -10.764 -9.456 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.408 -10.102 -8.934 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.276 -8.596 -9.821 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.190 -8.963 -10.985 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.280 -10.168 -12.274 1.00 0.00 H new ATOM 583 N GLU A 39 -5.076 -6.646 -9.081 1.00 0.00 N ATOM 584 CA GLU A 39 -5.428 -5.307 -9.527 1.00 0.00 C ATOM 585 C GLU A 39 -4.360 -4.314 -9.081 1.00 0.00 C ATOM 586 O GLU A 39 -4.361 -3.152 -9.486 1.00 0.00 O ATOM 587 CB GLU A 39 -6.786 -4.915 -8.942 1.00 0.00 C ATOM 588 CG GLU A 39 -7.835 -4.568 -9.981 1.00 0.00 C ATOM 589 CD GLU A 39 -9.235 -4.949 -9.543 1.00 0.00 C ATOM 590 OE1 GLU A 39 -9.787 -4.266 -8.657 1.00 0.00 O ATOM 591 OE2 GLU A 39 -9.779 -5.936 -10.084 1.00 0.00 O ATOM 0 H GLU A 39 -5.669 -7.005 -8.333 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.489 -5.292 -10.615 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.156 -5.737 -8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.650 -4.060 -8.280 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.800 -3.498 -10.184 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.599 -5.078 -10.915 1.00 0.00 H new ATOM 598 N LEU A 40 -3.451 -4.794 -8.236 1.00 0.00 N ATOM 599 CA LEU A 40 -2.368 -3.979 -7.709 1.00 0.00 C ATOM 600 C LEU A 40 -1.018 -4.520 -8.169 1.00 0.00 C ATOM 601 O LEU A 40 -0.101 -3.765 -8.473 1.00 0.00 O ATOM 602 CB LEU A 40 -2.425 -3.985 -6.182 1.00 0.00 C ATOM 603 CG LEU A 40 -3.126 -2.808 -5.495 1.00 0.00 C ATOM 604 CD1 LEU A 40 -3.596 -1.751 -6.484 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.291 -3.334 -4.679 1.00 0.00 C ATOM 0 H LEU A 40 -3.447 -5.757 -7.900 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.482 -2.961 -8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.922 -4.903 -5.868 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.402 -4.032 -5.808 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.404 -2.318 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.086 -0.940 -5.945 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.739 -1.358 -7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.301 -2.197 -7.186 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.795 -2.502 -4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.993 -3.847 -5.336 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.923 -4.032 -3.927 1.00 0.00 H new ATOM 617 N LEU A 41 -0.923 -5.841 -8.219 1.00 0.00 N ATOM 618 CA LEU A 41 0.298 -6.526 -8.620 1.00 0.00 C ATOM 619 C LEU A 41 0.831 -6.004 -9.947 1.00 0.00 C ATOM 620 O LEU A 41 0.098 -5.893 -10.930 1.00 0.00 O ATOM 621 CB LEU A 41 0.035 -8.030 -8.708 1.00 0.00 C ATOM 622 CG LEU A 41 0.178 -8.788 -7.386 1.00 0.00 C ATOM 623 CD1 LEU A 41 -0.827 -9.929 -7.297 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.599 -9.310 -7.228 1.00 0.00 C ATOM 0 H LEU A 41 -1.691 -6.469 -7.982 1.00 0.00 H new ATOM 0 HA LEU A 41 1.060 -6.330 -7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.973 -8.186 -9.092 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.723 -8.463 -9.434 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.031 -8.095 -6.571 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.703 -10.450 -6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.839 -9.529 -7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.660 -10.626 -8.118 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.686 -9.847 -6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.833 -9.984 -8.052 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.297 -8.473 -7.235 1.00 0.00 H new ATOM 636 N GLY A 42 2.120 -5.684 -9.957 1.00 0.00 N ATOM 637 CA GLY A 42 2.757 -5.175 -11.151 1.00 0.00 C ATOM 638 C GLY A 42 2.578 -3.683 -11.303 1.00 0.00 C ATOM 639 O GLY A 42 3.158 -3.065 -12.196 1.00 0.00 O ATOM 0 H GLY A 42 2.738 -5.770 -9.150 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.821 -5.410 -11.121 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.343 -5.679 -12.024 1.00 0.00 H new ATOM 643 N LYS A 43 1.769 -3.104 -10.426 1.00 0.00 N ATOM 644 CA LYS A 43 1.507 -1.676 -10.455 1.00 0.00 C ATOM 645 C LYS A 43 2.312 -0.952 -9.399 1.00 0.00 C ATOM 646 O LYS A 43 2.485 -1.442 -8.284 1.00 0.00 O ATOM 647 CB LYS A 43 0.030 -1.395 -10.214 1.00 0.00 C ATOM 648 CG LYS A 43 -0.891 -2.237 -11.062 1.00 0.00 C ATOM 649 CD LYS A 43 -2.175 -1.502 -11.390 1.00 0.00 C ATOM 650 CE LYS A 43 -2.757 -1.952 -12.720 1.00 0.00 C ATOM 651 NZ LYS A 43 -1.805 -1.738 -13.845 1.00 0.00 N ATOM 0 H LYS A 43 1.282 -3.606 -9.684 1.00 0.00 H new ATOM 0 HA LYS A 43 1.797 -1.315 -11.442 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.198 -1.569 -9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.168 -0.342 -10.413 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.384 -2.514 -11.986 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.125 -3.163 -10.537 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.904 -1.672 -10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.983 -0.430 -11.421 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.019 -3.008 -12.662 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.679 -1.405 -12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.284 -1.224 -14.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.992 -1.183 -13.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.474 -2.658 -14.199 1.00 0.00 H new ATOM 665 N ASN A 44 2.796 0.219 -9.760 1.00 0.00 N ATOM 666 CA ASN A 44 3.558 1.036 -8.834 1.00 0.00 C ATOM 667 C ASN A 44 2.628 1.554 -7.748 1.00 0.00 C ATOM 668 O ASN A 44 1.675 2.278 -8.025 1.00 0.00 O ATOM 669 CB ASN A 44 4.218 2.202 -9.572 1.00 0.00 C ATOM 670 CG ASN A 44 5.309 2.866 -8.766 1.00 0.00 C ATOM 671 OD1 ASN A 44 5.040 3.703 -7.908 1.00 0.00 O ATOM 672 ND2 ASN A 44 6.547 2.509 -9.058 1.00 0.00 N ATOM 0 H ASN A 44 2.676 0.627 -10.687 1.00 0.00 H new ATOM 0 HA ASN A 44 4.345 0.434 -8.380 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.636 1.841 -10.512 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.459 2.942 -9.825 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.331 2.934 -8.562 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.719 1.809 -9.779 1.00 0.00 H new ATOM 679 N ILE A 45 2.893 1.147 -6.518 1.00 0.00 N ATOM 680 CA ILE A 45 2.094 1.558 -5.380 1.00 0.00 C ATOM 681 C ILE A 45 1.861 3.065 -5.378 1.00 0.00 C ATOM 682 O ILE A 45 0.739 3.529 -5.176 1.00 0.00 O ATOM 683 CB ILE A 45 2.794 1.149 -4.077 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.946 1.511 -2.865 1.00 0.00 C ATOM 685 CG2 ILE A 45 4.145 1.814 -4.002 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.548 1.062 -1.551 1.00 0.00 C ATOM 0 H ILE A 45 3.666 0.524 -6.282 1.00 0.00 H new ATOM 0 HA ILE A 45 1.126 1.062 -5.454 1.00 0.00 H new ATOM 0 HB ILE A 45 2.928 0.067 -4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.804 2.591 -2.840 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.959 1.063 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.643 1.524 -3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.751 1.503 -4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.019 2.897 -4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.891 1.353 -0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.664 -0.022 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.523 1.531 -1.418 1.00 0.00 H new ATOM 698 N VAL A 46 2.928 3.822 -5.607 1.00 0.00 N ATOM 699 CA VAL A 46 2.838 5.276 -5.621 1.00 0.00 C ATOM 700 C VAL A 46 1.983 5.778 -6.784 1.00 0.00 C ATOM 701 O VAL A 46 1.399 6.857 -6.697 1.00 0.00 O ATOM 702 CB VAL A 46 4.225 5.965 -5.614 1.00 0.00 C ATOM 703 CG1 VAL A 46 5.307 4.988 -5.192 1.00 0.00 C ATOM 704 CG2 VAL A 46 4.551 6.609 -6.955 1.00 0.00 C ATOM 0 H VAL A 46 3.862 3.454 -5.785 1.00 0.00 H new ATOM 0 HA VAL A 46 2.343 5.556 -4.691 1.00 0.00 H new ATOM 0 HB VAL A 46 4.187 6.770 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.273 5.492 -5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.092 4.618 -4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.333 4.151 -5.889 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.533 7.080 -6.903 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.555 5.846 -7.734 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.799 7.363 -7.189 1.00 0.00 H new ATOM 714 N GLU A 47 1.931 5.023 -7.885 1.00 0.00 N ATOM 715 CA GLU A 47 1.111 5.428 -9.025 1.00 0.00 C ATOM 716 C GLU A 47 -0.310 5.715 -8.556 1.00 0.00 C ATOM 717 O GLU A 47 -0.986 6.598 -9.084 1.00 0.00 O ATOM 718 CB GLU A 47 1.100 4.359 -10.117 1.00 0.00 C ATOM 719 CG GLU A 47 2.149 4.581 -11.194 1.00 0.00 C ATOM 720 CD GLU A 47 2.039 3.582 -12.329 1.00 0.00 C ATOM 721 OE1 GLU A 47 2.558 2.456 -12.182 1.00 0.00 O ATOM 722 OE2 GLU A 47 1.433 3.926 -13.365 1.00 0.00 O ATOM 0 H GLU A 47 2.437 4.146 -8.009 1.00 0.00 H new ATOM 0 HA GLU A 47 1.545 6.332 -9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.261 3.383 -9.660 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.114 4.335 -10.581 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.048 5.591 -11.592 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.142 4.512 -10.749 1.00 0.00 H new ATOM 729 N PHE A 48 -0.752 4.957 -7.558 1.00 0.00 N ATOM 730 CA PHE A 48 -2.075 5.151 -6.980 1.00 0.00 C ATOM 731 C PHE A 48 -1.996 6.276 -5.971 1.00 0.00 C ATOM 732 O PHE A 48 -2.928 7.061 -5.813 1.00 0.00 O ATOM 733 CB PHE A 48 -2.564 3.884 -6.282 1.00 0.00 C ATOM 734 CG PHE A 48 -2.714 2.712 -7.197 1.00 0.00 C ATOM 735 CD1 PHE A 48 -1.623 1.923 -7.512 1.00 0.00 C ATOM 736 CD2 PHE A 48 -3.950 2.399 -7.735 1.00 0.00 C ATOM 737 CE1 PHE A 48 -1.767 0.832 -8.354 1.00 0.00 C ATOM 738 CE2 PHE A 48 -4.097 1.316 -8.574 1.00 0.00 C ATOM 739 CZ PHE A 48 -3.004 0.534 -8.882 1.00 0.00 C ATOM 0 H PHE A 48 -0.213 4.203 -7.133 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.777 5.392 -7.778 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.865 3.625 -5.487 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.524 4.089 -5.808 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.653 2.158 -7.099 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.808 3.010 -7.495 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.912 0.217 -8.596 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.066 1.080 -8.989 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.118 -0.315 -9.540 1.00 0.00 H new ATOM 749 N CYS A 49 -0.859 6.332 -5.292 1.00 0.00 N ATOM 750 CA CYS A 49 -0.604 7.362 -4.292 1.00 0.00 C ATOM 751 C CYS A 49 -0.724 8.748 -4.908 1.00 0.00 C ATOM 752 O CYS A 49 -0.353 8.952 -6.064 1.00 0.00 O ATOM 753 CB CYS A 49 0.798 7.197 -3.705 1.00 0.00 C ATOM 754 SG CYS A 49 1.332 8.578 -2.668 1.00 0.00 S ATOM 0 H CYS A 49 -0.092 5.671 -5.416 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.346 7.254 -3.501 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.828 6.281 -3.115 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.510 7.073 -4.521 1.00 0.00 H new ATOM 0 HG CYS A 49 1.186 9.693 -3.321 1.00 0.00 H new ATOM 760 N HIS A 50 -1.247 9.698 -4.139 1.00 0.00 N ATOM 761 CA HIS A 50 -1.379 11.064 -4.627 1.00 0.00 C ATOM 762 C HIS A 50 0.000 11.579 -5.031 1.00 0.00 C ATOM 763 O HIS A 50 0.964 11.378 -4.297 1.00 0.00 O ATOM 764 CB HIS A 50 -1.995 11.963 -3.552 1.00 0.00 C ATOM 765 CG HIS A 50 -2.422 13.308 -4.056 1.00 0.00 C ATOM 766 ND1 HIS A 50 -1.535 14.244 -4.545 1.00 0.00 N ATOM 767 CD2 HIS A 50 -3.651 13.875 -4.143 1.00 0.00 C ATOM 768 CE1 HIS A 50 -2.197 15.327 -4.911 1.00 0.00 C ATOM 769 NE2 HIS A 50 -3.482 15.128 -4.678 1.00 0.00 N ATOM 0 H HIS A 50 -1.582 9.549 -3.187 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.042 11.079 -5.492 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -2.858 11.457 -3.120 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -1.271 12.100 -2.749 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.587 13.425 -3.847 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.762 16.223 -5.329 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -4.228 15.797 -4.865 1.00 0.00 H new ATOM 778 N PRO A 51 0.122 12.229 -6.201 1.00 0.00 N ATOM 779 CA PRO A 51 1.406 12.735 -6.696 1.00 0.00 C ATOM 780 C PRO A 51 2.228 13.470 -5.640 1.00 0.00 C ATOM 781 O PRO A 51 3.373 13.104 -5.370 1.00 0.00 O ATOM 782 CB PRO A 51 0.987 13.683 -7.814 1.00 0.00 C ATOM 783 CG PRO A 51 -0.268 13.087 -8.337 1.00 0.00 C ATOM 784 CD PRO A 51 -0.976 12.539 -7.133 1.00 0.00 C ATOM 0 HA PRO A 51 2.061 11.924 -7.013 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.824 14.694 -7.440 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.751 13.749 -8.589 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -0.877 13.835 -8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.058 12.301 -9.062 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.669 13.266 -6.709 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.557 11.650 -7.379 1.00 0.00 H new ATOM 792 N GLU A 52 1.639 14.499 -5.042 1.00 0.00 N ATOM 793 CA GLU A 52 2.320 15.294 -4.026 1.00 0.00 C ATOM 794 C GLU A 52 2.773 14.440 -2.844 1.00 0.00 C ATOM 795 O GLU A 52 3.610 14.863 -2.046 1.00 0.00 O ATOM 796 CB GLU A 52 1.394 16.402 -3.533 1.00 0.00 C ATOM 797 CG GLU A 52 0.970 17.369 -4.625 1.00 0.00 C ATOM 798 CD GLU A 52 0.073 18.477 -4.109 1.00 0.00 C ATOM 799 OE1 GLU A 52 0.605 19.455 -3.540 1.00 0.00 O ATOM 800 OE2 GLU A 52 -1.160 18.368 -4.274 1.00 0.00 O ATOM 0 H GLU A 52 0.687 14.804 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 52 3.209 15.727 -4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.505 15.952 -3.092 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.896 16.958 -2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.858 17.808 -5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.448 16.820 -5.409 1.00 0.00 H new ATOM 807 N ASP A 53 2.217 13.240 -2.735 1.00 0.00 N ATOM 808 CA ASP A 53 2.554 12.336 -1.642 1.00 0.00 C ATOM 809 C ASP A 53 3.471 11.196 -2.083 1.00 0.00 C ATOM 810 O ASP A 53 4.095 10.550 -1.243 1.00 0.00 O ATOM 811 CB ASP A 53 1.282 11.751 -1.034 1.00 0.00 C ATOM 812 CG ASP A 53 0.435 12.797 -0.336 1.00 0.00 C ATOM 813 OD1 ASP A 53 -0.394 13.438 -1.016 1.00 0.00 O ATOM 814 OD2 ASP A 53 0.601 12.975 0.888 1.00 0.00 O ATOM 0 H ASP A 53 1.530 12.869 -3.391 1.00 0.00 H new ATOM 0 HA ASP A 53 3.092 12.926 -0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.693 11.277 -1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.550 10.971 -0.321 1.00 0.00 H new ATOM 819 N GLN A 54 3.556 10.939 -3.388 1.00 0.00 N ATOM 820 CA GLN A 54 4.395 9.860 -3.876 1.00 0.00 C ATOM 821 C GLN A 54 5.842 10.072 -3.458 1.00 0.00 C ATOM 822 O GLN A 54 6.559 9.117 -3.178 1.00 0.00 O ATOM 823 CB GLN A 54 4.311 9.739 -5.393 1.00 0.00 C ATOM 824 CG GLN A 54 2.901 9.775 -5.937 1.00 0.00 C ATOM 825 CD GLN A 54 2.864 9.706 -7.450 1.00 0.00 C ATOM 826 OE1 GLN A 54 3.781 10.172 -8.127 1.00 0.00 O ATOM 827 NE2 GLN A 54 1.801 9.129 -7.990 1.00 0.00 N ATOM 0 H GLN A 54 3.060 11.458 -4.112 1.00 0.00 H new ATOM 0 HA GLN A 54 4.028 8.934 -3.433 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.884 10.549 -5.844 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.784 8.806 -5.699 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.334 8.941 -5.524 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.410 10.690 -5.606 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.064 8.756 -7.392 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.719 9.058 -9.004 1.00 0.00 H new ATOM 836 N GLN A 55 6.266 11.327 -3.423 1.00 0.00 N ATOM 837 CA GLN A 55 7.630 11.652 -3.030 1.00 0.00 C ATOM 838 C GLN A 55 7.915 11.143 -1.622 1.00 0.00 C ATOM 839 O GLN A 55 9.036 10.746 -1.304 1.00 0.00 O ATOM 840 CB GLN A 55 7.862 13.160 -3.099 1.00 0.00 C ATOM 841 CG GLN A 55 9.310 13.566 -2.870 1.00 0.00 C ATOM 842 CD GLN A 55 10.242 13.020 -3.931 1.00 0.00 C ATOM 843 OE1 GLN A 55 10.462 13.648 -4.967 1.00 0.00 O ATOM 844 NE2 GLN A 55 10.800 11.843 -3.675 1.00 0.00 N ATOM 0 H GLN A 55 5.689 12.134 -3.661 1.00 0.00 H new ATOM 0 HA GLN A 55 8.312 11.161 -3.724 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.542 13.524 -4.075 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.234 13.650 -2.355 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.380 14.654 -2.854 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.632 13.212 -1.891 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.589 11.357 -2.803 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.440 11.424 -4.350 1.00 0.00 H new ATOM 853 N LEU A 56 6.881 11.149 -0.793 1.00 0.00 N ATOM 854 CA LEU A 56 6.979 10.699 0.580 1.00 0.00 C ATOM 855 C LEU A 56 6.931 9.183 0.640 1.00 0.00 C ATOM 856 O LEU A 56 7.639 8.555 1.426 1.00 0.00 O ATOM 857 CB LEU A 56 5.834 11.307 1.391 1.00 0.00 C ATOM 858 CG LEU A 56 5.487 10.588 2.692 1.00 0.00 C ATOM 859 CD1 LEU A 56 5.942 11.397 3.896 1.00 0.00 C ATOM 860 CD2 LEU A 56 3.990 10.323 2.748 1.00 0.00 C ATOM 0 H LEU A 56 5.949 11.468 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 56 7.929 11.024 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.089 12.340 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.943 11.333 0.763 1.00 0.00 H new ATOM 0 HG LEU A 56 6.013 9.634 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.684 10.864 4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.022 11.540 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.447 12.368 3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.746 9.810 3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.451 11.269 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.699 9.700 1.902 1.00 0.00 H new ATOM 872 N LEU A 57 6.086 8.604 -0.201 1.00 0.00 N ATOM 873 CA LEU A 57 5.941 7.162 -0.259 1.00 0.00 C ATOM 874 C LEU A 57 7.246 6.530 -0.709 1.00 0.00 C ATOM 875 O LEU A 57 7.818 5.689 -0.016 1.00 0.00 O ATOM 876 CB LEU A 57 4.817 6.791 -1.221 1.00 0.00 C ATOM 877 CG LEU A 57 4.418 5.318 -1.209 1.00 0.00 C ATOM 878 CD1 LEU A 57 4.081 4.879 0.204 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.244 5.078 -2.145 1.00 0.00 C ATOM 0 H LEU A 57 5.490 9.115 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 57 5.692 6.787 0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.940 7.392 -0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.121 7.062 -2.232 1.00 0.00 H new ATOM 0 HG LEU A 57 5.260 4.723 -1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.798 3.826 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.951 5.018 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.252 5.476 0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.972 4.023 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.393 5.678 -1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.524 5.361 -3.160 1.00 0.00 H new ATOM 891 N ARG A 58 7.703 6.945 -1.879 1.00 0.00 N ATOM 892 CA ARG A 58 8.955 6.458 -2.431 1.00 0.00 C ATOM 893 C ARG A 58 10.083 6.696 -1.436 1.00 0.00 C ATOM 894 O ARG A 58 10.975 5.863 -1.285 1.00 0.00 O ATOM 895 CB ARG A 58 9.260 7.164 -3.753 1.00 0.00 C ATOM 896 CG ARG A 58 8.135 7.064 -4.771 1.00 0.00 C ATOM 897 CD ARG A 58 8.419 7.919 -5.996 1.00 0.00 C ATOM 898 NE ARG A 58 7.213 8.204 -6.766 1.00 0.00 N ATOM 899 CZ ARG A 58 7.228 8.600 -8.036 1.00 0.00 C ATOM 900 NH1 ARG A 58 8.381 8.764 -8.670 1.00 0.00 N ATOM 901 NH2 ARG A 58 6.089 8.833 -8.672 1.00 0.00 N ATOM 0 H ARG A 58 7.221 7.624 -2.468 1.00 0.00 H new ATOM 0 HA ARG A 58 8.867 5.388 -2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.466 8.216 -3.554 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.166 6.737 -4.183 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.006 6.025 -5.073 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.198 7.381 -4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 58 8.877 8.857 -5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.141 7.408 -6.633 1.00 0.00 H new ATOM 0 HE ARG A 58 6.309 8.094 -6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.260 8.586 -8.184 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.389 9.068 -9.644 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.200 8.709 -8.188 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.101 9.137 -9.646 1.00 0.00 H new ATOM 915 N ASP A 59 10.027 7.842 -0.753 1.00 0.00 N ATOM 916 CA ASP A 59 11.034 8.187 0.244 1.00 0.00 C ATOM 917 C ASP A 59 11.124 7.096 1.283 1.00 0.00 C ATOM 918 O ASP A 59 12.214 6.643 1.631 1.00 0.00 O ATOM 919 CB ASP A 59 10.696 9.516 0.911 1.00 0.00 C ATOM 920 CG ASP A 59 11.732 9.931 1.938 1.00 0.00 C ATOM 921 OD1 ASP A 59 12.761 10.517 1.539 1.00 0.00 O ATOM 922 OD2 ASP A 59 11.514 9.671 3.139 1.00 0.00 O ATOM 0 H ASP A 59 9.296 8.543 -0.874 1.00 0.00 H new ATOM 0 HA ASP A 59 11.998 8.286 -0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.614 10.291 0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.722 9.439 1.393 1.00 0.00 H new ATOM 927 N SER A 60 9.971 6.679 1.776 1.00 0.00 N ATOM 928 CA SER A 60 9.918 5.622 2.760 1.00 0.00 C ATOM 929 C SER A 60 10.696 4.413 2.257 1.00 0.00 C ATOM 930 O SER A 60 11.633 3.960 2.904 1.00 0.00 O ATOM 931 CB SER A 60 8.465 5.247 3.060 1.00 0.00 C ATOM 932 OG SER A 60 7.995 4.248 2.172 1.00 0.00 O ATOM 0 H SER A 60 9.062 7.058 1.509 1.00 0.00 H new ATOM 0 HA SER A 60 10.375 5.971 3.686 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.384 4.890 4.087 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.835 6.133 2.980 1.00 0.00 H new ATOM 0 HG SER A 60 7.532 4.671 1.419 1.00 0.00 H new ATOM 938 N PHE A 61 10.326 3.924 1.076 1.00 0.00 N ATOM 939 CA PHE A 61 10.988 2.770 0.483 1.00 0.00 C ATOM 940 C PHE A 61 12.485 2.992 0.384 1.00 0.00 C ATOM 941 O PHE A 61 13.269 2.058 0.552 1.00 0.00 O ATOM 942 CB PHE A 61 10.416 2.485 -0.905 1.00 0.00 C ATOM 943 CG PHE A 61 8.915 2.390 -0.923 1.00 0.00 C ATOM 944 CD1 PHE A 61 8.231 1.830 0.145 1.00 0.00 C ATOM 945 CD2 PHE A 61 8.190 2.863 -2.003 1.00 0.00 C ATOM 946 CE1 PHE A 61 6.853 1.744 0.137 1.00 0.00 C ATOM 947 CE2 PHE A 61 6.811 2.780 -2.018 1.00 0.00 C ATOM 948 CZ PHE A 61 6.142 2.220 -0.946 1.00 0.00 C ATOM 0 H PHE A 61 9.570 4.311 0.512 1.00 0.00 H new ATOM 0 HA PHE A 61 10.807 1.911 1.130 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.731 3.273 -1.589 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.837 1.551 -1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.783 1.456 0.994 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.708 3.302 -2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.333 1.305 0.976 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.256 3.152 -2.867 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.064 2.155 -0.956 1.00 0.00 H new ATOM 958 N GLN A 62 12.882 4.233 0.118 1.00 0.00 N ATOM 959 CA GLN A 62 14.294 4.556 -0.003 1.00 0.00 C ATOM 960 C GLN A 62 14.971 4.423 1.346 1.00 0.00 C ATOM 961 O GLN A 62 16.141 4.068 1.434 1.00 0.00 O ATOM 962 CB GLN A 62 14.481 5.975 -0.539 1.00 0.00 C ATOM 963 CG GLN A 62 13.823 6.210 -1.889 1.00 0.00 C ATOM 964 CD GLN A 62 14.811 6.647 -2.955 1.00 0.00 C ATOM 965 OE1 GLN A 62 16.048 6.177 -2.849 1.00 0.00 O flip ATOM 966 NE2 GLN A 62 14.462 7.398 -3.868 1.00 0.00 N flip ATOM 0 H GLN A 62 12.250 5.023 -0.016 1.00 0.00 H new ATOM 0 HA GLN A 62 14.748 3.858 -0.706 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.073 6.683 0.182 1.00 0.00 H new ATOM 0 HB3 GLN A 62 15.547 6.185 -0.623 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.328 5.294 -2.212 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.049 6.970 -1.784 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.501 7.736 -3.911 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.135 7.682 -4.580 1.00 0.00 H new ATOM 975 N GLN A 63 14.215 4.700 2.397 1.00 0.00 N ATOM 976 CA GLN A 63 14.726 4.631 3.750 1.00 0.00 C ATOM 977 C GLN A 63 14.785 3.192 4.269 1.00 0.00 C ATOM 978 O GLN A 63 15.764 2.795 4.896 1.00 0.00 O ATOM 979 CB GLN A 63 13.840 5.480 4.649 1.00 0.00 C ATOM 980 CG GLN A 63 13.849 6.961 4.292 1.00 0.00 C ATOM 981 CD GLN A 63 15.172 7.624 4.618 1.00 0.00 C ATOM 982 OE1 GLN A 63 15.349 8.179 5.702 1.00 0.00 O ATOM 983 NE2 GLN A 63 16.113 7.560 3.686 1.00 0.00 N ATOM 0 H GLN A 63 13.235 4.977 2.333 1.00 0.00 H new ATOM 0 HA GLN A 63 15.747 5.012 3.755 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.817 5.108 4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.166 5.362 5.682 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.639 7.077 3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.049 7.467 4.832 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.923 7.090 2.801 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.027 7.981 3.854 1.00 0.00 H new ATOM 992 N VAL A 64 13.737 2.412 4.007 1.00 0.00 N ATOM 993 CA VAL A 64 13.691 1.021 4.467 1.00 0.00 C ATOM 994 C VAL A 64 14.785 0.199 3.806 1.00 0.00 C ATOM 995 O VAL A 64 15.367 -0.697 4.417 1.00 0.00 O ATOM 996 CB VAL A 64 12.317 0.335 4.193 1.00 0.00 C ATOM 997 CG1 VAL A 64 11.245 1.350 3.850 1.00 0.00 C ATOM 998 CG2 VAL A 64 12.419 -0.710 3.087 1.00 0.00 C ATOM 0 H VAL A 64 12.915 2.714 3.484 1.00 0.00 H new ATOM 0 HA VAL A 64 13.842 1.058 5.546 1.00 0.00 H new ATOM 0 HB VAL A 64 12.031 -0.170 5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.302 0.835 3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.123 2.045 4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.538 1.901 2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.442 -1.165 2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.754 -0.233 2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.134 -1.479 3.378 1.00 0.00 H new ATOM 1008 N VAL A 65 15.050 0.520 2.556 1.00 0.00 N ATOM 1009 CA VAL A 65 16.042 -0.183 1.779 1.00 0.00 C ATOM 1010 C VAL A 65 17.445 0.310 2.109 1.00 0.00 C ATOM 1011 O VAL A 65 18.418 -0.440 2.019 1.00 0.00 O ATOM 1012 CB VAL A 65 15.746 -0.018 0.283 1.00 0.00 C ATOM 1013 CG1 VAL A 65 16.058 1.397 -0.176 1.00 0.00 C ATOM 1014 CG2 VAL A 65 16.500 -1.046 -0.534 1.00 0.00 C ATOM 0 H VAL A 65 14.583 1.275 2.054 1.00 0.00 H new ATOM 0 HA VAL A 65 15.995 -1.242 2.033 1.00 0.00 H new ATOM 0 HB VAL A 65 14.681 -0.190 0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.841 1.491 -1.240 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.446 2.104 0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 65 17.112 1.612 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 65 16.273 -0.908 -1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 65 17.571 -0.924 -0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 65 16.199 -2.047 -0.226 1.00 0.00 H new ATOM 1024 N LYS A 66 17.539 1.580 2.491 1.00 0.00 N ATOM 1025 CA LYS A 66 18.813 2.175 2.865 1.00 0.00 C ATOM 1026 C LYS A 66 19.267 1.627 4.206 1.00 0.00 C ATOM 1027 O LYS A 66 20.440 1.315 4.410 1.00 0.00 O ATOM 1028 CB LYS A 66 18.677 3.692 2.978 1.00 0.00 C ATOM 1029 CG LYS A 66 18.935 4.432 1.677 1.00 0.00 C ATOM 1030 CD LYS A 66 18.714 5.930 1.830 1.00 0.00 C ATOM 1031 CE LYS A 66 19.686 6.546 2.824 1.00 0.00 C ATOM 1032 NZ LYS A 66 21.103 6.373 2.398 1.00 0.00 N ATOM 0 H LYS A 66 16.744 2.217 2.549 1.00 0.00 H new ATOM 0 HA LYS A 66 19.545 1.929 2.095 1.00 0.00 H new ATOM 0 HB2 LYS A 66 17.673 3.932 3.328 1.00 0.00 H new ATOM 0 HB3 LYS A 66 19.373 4.054 3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 66 19.958 4.246 1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 66 18.276 4.044 0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 66 18.829 6.415 0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 66 17.692 6.115 2.159 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.468 7.608 2.934 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.543 6.088 3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.716 6.986 2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.386 5.381 2.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.198 6.631 1.395 1.00 0.00 H new ATOM 1046 N LEU A 67 18.309 1.518 5.112 1.00 0.00 N ATOM 1047 CA LEU A 67 18.561 1.029 6.455 1.00 0.00 C ATOM 1048 C LEU A 67 18.341 -0.476 6.522 1.00 0.00 C ATOM 1049 O LEU A 67 18.344 -1.077 7.598 1.00 0.00 O ATOM 1050 CB LEU A 67 17.641 1.768 7.414 1.00 0.00 C ATOM 1051 CG LEU A 67 17.640 3.288 7.224 1.00 0.00 C ATOM 1052 CD1 LEU A 67 16.629 3.951 8.147 1.00 0.00 C ATOM 1053 CD2 LEU A 67 19.033 3.849 7.462 1.00 0.00 C ATOM 0 H LEU A 67 17.335 1.766 4.936 1.00 0.00 H new ATOM 0 HA LEU A 67 19.597 1.215 6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.625 1.395 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 67 17.939 1.540 8.437 1.00 0.00 H new ATOM 0 HG LEU A 67 17.348 3.505 6.197 1.00 0.00 H new ATOM 0 HD11 LEU A 67 16.648 5.030 7.993 1.00 0.00 H new ATOM 0 HD12 LEU A 67 15.631 3.571 7.927 1.00 0.00 H new ATOM 0 HD13 LEU A 67 16.882 3.728 9.184 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.018 4.930 7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.350 3.617 8.479 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.731 3.402 6.754 1.00 0.00 H new ATOM 1065 N LYS A 68 18.166 -1.058 5.343 1.00 0.00 N ATOM 1066 CA LYS A 68 17.960 -2.493 5.170 1.00 0.00 C ATOM 1067 C LYS A 68 17.244 -3.142 6.351 1.00 0.00 C ATOM 1068 O LYS A 68 17.848 -3.880 7.130 1.00 0.00 O ATOM 1069 CB LYS A 68 19.303 -3.170 4.944 1.00 0.00 C ATOM 1070 CG LYS A 68 19.775 -3.137 3.505 1.00 0.00 C ATOM 1071 CD LYS A 68 19.134 -4.239 2.677 1.00 0.00 C ATOM 1072 CE LYS A 68 17.878 -3.752 1.974 1.00 0.00 C ATOM 1073 NZ LYS A 68 17.274 -4.810 1.118 1.00 0.00 N ATOM 0 H LYS A 68 18.163 -0.539 4.465 1.00 0.00 H new ATOM 0 HA LYS A 68 17.313 -2.624 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 68 20.052 -2.688 5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.234 -4.208 5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 68 19.538 -2.168 3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 68 20.859 -3.244 3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.848 -4.601 1.938 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.887 -5.082 3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.150 -3.426 2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.119 -2.883 1.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.702 -4.367 0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.029 -5.379 0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.668 -5.424 1.700 1.00 0.00 H new ATOM 1087 N GLY A 69 15.956 -2.857 6.478 1.00 0.00 N ATOM 1088 CA GLY A 69 15.163 -3.440 7.544 1.00 0.00 C ATOM 1089 C GLY A 69 14.333 -2.420 8.293 1.00 0.00 C ATOM 1090 O GLY A 69 13.156 -2.658 8.566 1.00 0.00 O ATOM 0 H GLY A 69 15.443 -2.229 5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.503 -4.199 7.124 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.825 -3.947 8.246 1.00 0.00 H new ATOM 1094 N GLN A 70 14.945 -1.290 8.631 1.00 0.00 N ATOM 1095 CA GLN A 70 14.247 -0.230 9.348 1.00 0.00 C ATOM 1096 C GLN A 70 12.912 0.063 8.678 1.00 0.00 C ATOM 1097 O GLN A 70 12.862 0.405 7.497 1.00 0.00 O ATOM 1098 CB GLN A 70 15.104 1.030 9.380 1.00 0.00 C ATOM 1099 CG GLN A 70 14.742 1.996 10.493 1.00 0.00 C ATOM 1100 CD GLN A 70 14.910 1.388 11.871 1.00 0.00 C ATOM 1101 OE1 GLN A 70 13.979 0.797 12.420 1.00 0.00 O ATOM 1102 NE2 GLN A 70 16.102 1.530 12.438 1.00 0.00 N ATOM 0 H GLN A 70 15.922 -1.085 8.420 1.00 0.00 H new ATOM 0 HA GLN A 70 14.063 -0.558 10.371 1.00 0.00 H new ATOM 0 HB2 GLN A 70 16.150 0.743 9.488 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.012 1.544 8.423 1.00 0.00 H new ATOM 0 HG2 GLN A 70 15.367 2.886 10.414 1.00 0.00 H new ATOM 0 HG3 GLN A 70 13.709 2.320 10.366 1.00 0.00 H new ATOM 0 HE21 GLN A 70 16.845 2.027 11.946 1.00 0.00 H new ATOM 0 HE22 GLN A 70 16.275 1.142 13.365 1.00 0.00 H new ATOM 1111 N VAL A 71 11.829 -0.072 9.435 1.00 0.00 N ATOM 1112 CA VAL A 71 10.499 0.157 8.893 1.00 0.00 C ATOM 1113 C VAL A 71 10.156 1.641 8.836 1.00 0.00 C ATOM 1114 O VAL A 71 10.496 2.417 9.730 1.00 0.00 O ATOM 1115 CB VAL A 71 9.418 -0.600 9.689 1.00 0.00 C ATOM 1116 CG1 VAL A 71 9.192 0.035 11.052 1.00 0.00 C ATOM 1117 CG2 VAL A 71 8.123 -0.667 8.891 1.00 0.00 C ATOM 0 H VAL A 71 11.847 -0.337 10.420 1.00 0.00 H new ATOM 0 HA VAL A 71 10.513 -0.232 7.875 1.00 0.00 H new ATOM 0 HB VAL A 71 9.769 -1.618 9.859 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.424 -0.521 11.590 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.121 0.014 11.622 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.869 1.068 10.923 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.369 -1.204 9.466 1.00 0.00 H new ATOM 0 HG22 VAL A 71 7.770 0.343 8.685 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.302 -1.188 7.950 1.00 0.00 H new ATOM 1127 N LEU A 72 9.482 2.010 7.758 1.00 0.00 N ATOM 1128 CA LEU A 72 9.076 3.376 7.503 1.00 0.00 C ATOM 1129 C LEU A 72 7.569 3.530 7.637 1.00 0.00 C ATOM 1130 O LEU A 72 6.810 2.606 7.338 1.00 0.00 O ATOM 1131 CB LEU A 72 9.493 3.759 6.086 1.00 0.00 C ATOM 1132 CG LEU A 72 10.920 4.277 5.921 1.00 0.00 C ATOM 1133 CD1 LEU A 72 10.987 5.745 6.278 1.00 0.00 C ATOM 1134 CD2 LEU A 72 11.898 3.471 6.763 1.00 0.00 C ATOM 0 H LEU A 72 9.199 1.357 7.027 1.00 0.00 H new ATOM 0 HA LEU A 72 9.557 4.026 8.234 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.369 2.887 5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.807 4.523 5.721 1.00 0.00 H new ATOM 0 HG LEU A 72 11.208 4.159 4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.009 6.103 6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.325 6.310 5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.675 5.882 7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.906 3.863 6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 72 11.620 3.546 7.814 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.869 2.426 6.454 1.00 0.00 H new ATOM 1146 N SER A 73 7.143 4.704 8.080 1.00 0.00 N ATOM 1147 CA SER A 73 5.727 4.991 8.230 1.00 0.00 C ATOM 1148 C SER A 73 5.387 6.294 7.538 1.00 0.00 C ATOM 1149 O SER A 73 5.827 7.366 7.954 1.00 0.00 O ATOM 1150 CB SER A 73 5.337 5.071 9.699 1.00 0.00 C ATOM 1151 OG SER A 73 3.946 4.862 9.870 1.00 0.00 O ATOM 0 H SER A 73 7.760 5.473 8.342 1.00 0.00 H new ATOM 0 HA SER A 73 5.166 4.178 7.770 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.892 4.325 10.267 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.613 6.047 10.099 1.00 0.00 H new ATOM 0 HG SER A 73 3.722 4.917 10.822 1.00 0.00 H new ATOM 1157 N VAL A 74 4.604 6.194 6.480 1.00 0.00 N ATOM 1158 CA VAL A 74 4.210 7.378 5.718 1.00 0.00 C ATOM 1159 C VAL A 74 2.734 7.345 5.364 1.00 0.00 C ATOM 1160 O VAL A 74 2.207 6.311 4.954 1.00 0.00 O ATOM 1161 CB VAL A 74 5.028 7.519 4.414 1.00 0.00 C ATOM 1162 CG1 VAL A 74 6.512 7.656 4.713 1.00 0.00 C ATOM 1163 CG2 VAL A 74 4.769 6.343 3.492 1.00 0.00 C ATOM 0 H VAL A 74 4.227 5.315 6.126 1.00 0.00 H new ATOM 0 HA VAL A 74 4.411 8.235 6.361 1.00 0.00 H new ATOM 0 HB VAL A 74 4.704 8.428 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.064 7.754 3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.679 8.541 5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.858 6.772 5.248 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.354 6.460 2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.058 5.418 3.992 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.709 6.304 3.241 1.00 0.00 H new ATOM 1173 N MET A 75 2.061 8.478 5.525 1.00 0.00 N ATOM 1174 CA MET A 75 0.650 8.552 5.189 1.00 0.00 C ATOM 1175 C MET A 75 0.471 9.165 3.820 1.00 0.00 C ATOM 1176 O MET A 75 0.998 10.239 3.530 1.00 0.00 O ATOM 1177 CB MET A 75 -0.145 9.362 6.204 1.00 0.00 C ATOM 1178 CG MET A 75 -0.329 8.665 7.534 1.00 0.00 C ATOM 1179 SD MET A 75 -1.693 9.351 8.487 1.00 0.00 S ATOM 1180 CE MET A 75 -3.065 8.944 7.414 1.00 0.00 C ATOM 0 H MET A 75 2.464 9.345 5.881 1.00 0.00 H new ATOM 0 HA MET A 75 0.269 7.531 5.199 1.00 0.00 H new ATOM 0 HB2 MET A 75 0.359 10.314 6.370 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.125 9.590 5.785 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.507 7.603 7.363 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.591 8.745 8.113 1.00 0.00 H new ATOM 0 HE1 MET A 75 -3.960 9.465 7.754 1.00 0.00 H new ATOM 0 HE2 MET A 75 -2.833 9.251 6.394 1.00 0.00 H new ATOM 0 HE3 MET A 75 -3.239 7.868 7.439 1.00 0.00 H new ATOM 1190 N PHE A 76 -0.276 8.477 2.981 1.00 0.00 N ATOM 1191 CA PHE A 76 -0.524 8.962 1.631 1.00 0.00 C ATOM 1192 C PHE A 76 -1.957 8.698 1.190 1.00 0.00 C ATOM 1193 O PHE A 76 -2.673 7.906 1.797 1.00 0.00 O ATOM 1194 CB PHE A 76 0.443 8.301 0.655 1.00 0.00 C ATOM 1195 CG PHE A 76 0.078 6.884 0.329 1.00 0.00 C ATOM 1196 CD1 PHE A 76 0.399 5.849 1.191 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -0.596 6.588 -0.842 1.00 0.00 C ATOM 1198 CE1 PHE A 76 0.055 4.552 0.887 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -0.939 5.289 -1.148 1.00 0.00 C ATOM 1200 CZ PHE A 76 -0.610 4.269 -0.279 1.00 0.00 C ATOM 0 H PHE A 76 -0.721 7.586 3.204 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.367 10.041 1.634 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.473 8.883 -0.266 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.447 8.322 1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.924 6.062 2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.856 7.384 -1.524 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.309 3.754 1.569 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.464 5.070 -2.066 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.876 3.249 -0.516 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.360 9.368 0.119 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.702 9.212 -0.430 1.00 0.00 C ATOM 1212 C ARG A 77 -3.712 8.170 -1.547 1.00 0.00 C ATOM 1213 O ARG A 77 -3.190 8.408 -2.637 1.00 0.00 O ATOM 1214 CB ARG A 77 -4.214 10.559 -0.943 1.00 0.00 C ATOM 1215 CG ARG A 77 -4.624 11.506 0.173 1.00 0.00 C ATOM 1216 CD ARG A 77 -4.279 12.953 -0.151 1.00 0.00 C ATOM 1217 NE ARG A 77 -5.040 13.468 -1.286 1.00 0.00 N ATOM 1218 CZ ARG A 77 -5.380 14.747 -1.424 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -5.049 15.628 -0.488 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -6.053 15.147 -2.493 1.00 0.00 N ATOM 0 H ARG A 77 -1.773 10.029 -0.390 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.365 8.862 0.361 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.437 11.031 -1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.067 10.390 -1.600 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.697 11.419 0.346 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.127 11.213 1.098 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -4.472 13.574 0.724 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.213 13.030 -0.367 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.326 12.812 -2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.533 15.325 0.338 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -5.310 16.608 -0.595 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.312 14.474 -3.214 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.312 16.128 -2.595 1.00 0.00 H new ATOM 1234 N PHE A 78 -4.304 7.014 -1.264 1.00 0.00 N ATOM 1235 CA PHE A 78 -4.378 5.923 -2.232 1.00 0.00 C ATOM 1236 C PHE A 78 -5.658 6.000 -3.057 1.00 0.00 C ATOM 1237 O PHE A 78 -6.738 5.691 -2.554 1.00 0.00 O ATOM 1238 CB PHE A 78 -4.344 4.563 -1.514 1.00 0.00 C ATOM 1239 CG PHE A 78 -4.050 3.397 -2.429 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -4.997 2.941 -3.337 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -2.820 2.761 -2.385 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -4.715 1.874 -4.176 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -2.536 1.700 -3.221 1.00 0.00 C ATOM 1244 CZ PHE A 78 -3.483 1.257 -4.117 1.00 0.00 C ATOM 0 H PHE A 78 -4.742 6.807 -0.367 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.517 6.020 -2.893 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.589 4.596 -0.729 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -5.304 4.396 -1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.962 3.422 -3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.071 3.101 -1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.460 1.526 -4.876 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.571 1.217 -3.172 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.261 0.428 -4.772 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.547 6.406 -4.319 1.00 0.00 N ATOM 1255 CA ARG A 79 -6.718 6.450 -5.177 1.00 0.00 C ATOM 1256 C ARG A 79 -7.196 5.023 -5.368 1.00 0.00 C ATOM 1257 O ARG A 79 -6.605 4.259 -6.129 1.00 0.00 O ATOM 1258 CB ARG A 79 -6.400 7.097 -6.528 1.00 0.00 C ATOM 1259 CG ARG A 79 -7.602 7.192 -7.456 1.00 0.00 C ATOM 1260 CD ARG A 79 -7.826 5.894 -8.208 1.00 0.00 C ATOM 1261 NE ARG A 79 -8.617 6.092 -9.420 1.00 0.00 N ATOM 1262 CZ ARG A 79 -8.452 5.384 -10.534 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -7.525 4.436 -10.591 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -9.212 5.627 -11.593 1.00 0.00 N ATOM 0 H ARG A 79 -4.676 6.703 -4.759 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.494 7.059 -4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.003 8.098 -6.358 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.616 6.523 -7.021 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -8.492 7.437 -6.877 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.451 8.004 -8.167 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.863 5.457 -8.471 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.332 5.181 -7.557 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.337 6.814 -9.412 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.937 4.249 -9.779 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.401 3.895 -11.447 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.923 6.357 -11.554 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.085 5.084 -12.447 1.00 0.00 H new ATOM 1278 N SER A 80 -8.250 4.664 -4.660 1.00 0.00 N ATOM 1279 CA SER A 80 -8.769 3.318 -4.710 1.00 0.00 C ATOM 1280 C SER A 80 -9.713 3.076 -5.879 1.00 0.00 C ATOM 1281 O SER A 80 -9.880 3.924 -6.753 1.00 0.00 O ATOM 1282 CB SER A 80 -9.453 3.007 -3.393 1.00 0.00 C ATOM 1283 OG SER A 80 -8.497 2.920 -2.355 1.00 0.00 O ATOM 0 H SER A 80 -8.763 5.292 -4.042 1.00 0.00 H new ATOM 0 HA SER A 80 -7.926 2.645 -4.870 1.00 0.00 H new ATOM 0 HB2 SER A 80 -10.182 3.783 -3.161 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.001 2.068 -3.472 1.00 0.00 H new ATOM 0 HG SER A 80 -7.966 3.743 -2.330 1.00 0.00 H new ATOM 1289 N LYS A 81 -10.307 1.888 -5.883 1.00 0.00 N ATOM 1290 CA LYS A 81 -11.227 1.472 -6.924 1.00 0.00 C ATOM 1291 C LYS A 81 -12.421 2.417 -7.019 1.00 0.00 C ATOM 1292 O LYS A 81 -13.082 2.496 -8.056 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.688 0.041 -6.653 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.287 -0.609 -7.869 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.514 -1.847 -8.262 1.00 0.00 C ATOM 1296 CE LYS A 81 -12.188 -2.562 -9.408 1.00 0.00 C ATOM 1297 NZ LYS A 81 -13.504 -3.135 -9.014 1.00 0.00 N ATOM 0 H LYS A 81 -10.160 1.186 -5.158 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.709 1.507 -7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.841 -0.551 -6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.423 0.045 -5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.325 -0.873 -7.669 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.292 0.099 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.499 -1.571 -8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.434 -2.518 -7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.329 -1.867 -10.236 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.539 -3.360 -9.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.813 -3.821 -9.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.413 -3.613 -8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.207 -2.372 -8.939 1.00 0.00 H new ATOM 1311 N ASN A 82 -12.689 3.138 -5.935 1.00 0.00 N ATOM 1312 CA ASN A 82 -13.797 4.087 -5.902 1.00 0.00 C ATOM 1313 C ASN A 82 -13.352 5.446 -6.425 1.00 0.00 C ATOM 1314 O ASN A 82 -14.133 6.397 -6.457 1.00 0.00 O ATOM 1315 CB ASN A 82 -14.331 4.241 -4.481 1.00 0.00 C ATOM 1316 CG ASN A 82 -14.867 2.945 -3.913 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -15.340 2.077 -4.647 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.796 2.813 -2.595 1.00 0.00 N ATOM 0 H ASN A 82 -12.155 3.083 -5.068 1.00 0.00 H new ATOM 0 HA ASN A 82 -14.590 3.699 -6.541 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.534 4.613 -3.837 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.123 4.990 -4.474 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -15.142 1.964 -2.148 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.395 3.561 -2.028 1.00 0.00 H new ATOM 1325 N GLN A 83 -12.086 5.522 -6.823 1.00 0.00 N ATOM 1326 CA GLN A 83 -11.509 6.753 -7.348 1.00 0.00 C ATOM 1327 C GLN A 83 -11.480 7.828 -6.268 1.00 0.00 C ATOM 1328 O GLN A 83 -11.620 9.018 -6.552 1.00 0.00 O ATOM 1329 CB GLN A 83 -12.301 7.231 -8.562 1.00 0.00 C ATOM 1330 CG GLN A 83 -12.675 6.105 -9.509 1.00 0.00 C ATOM 1331 CD GLN A 83 -12.316 6.405 -10.949 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -12.338 7.557 -11.381 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -11.979 5.363 -11.699 1.00 0.00 N ATOM 0 H GLN A 83 -11.435 4.737 -6.791 1.00 0.00 H new ATOM 0 HA GLN A 83 -10.484 6.554 -7.661 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -13.209 7.729 -8.223 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.713 7.973 -9.103 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.170 5.191 -9.196 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -13.746 5.918 -9.438 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.975 4.425 -11.297 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.724 5.500 -12.677 1.00 0.00 H new ATOM 1342 N GLU A 84 -11.292 7.391 -5.027 1.00 0.00 N ATOM 1343 CA GLU A 84 -11.242 8.299 -3.889 1.00 0.00 C ATOM 1344 C GLU A 84 -9.867 8.261 -3.232 1.00 0.00 C ATOM 1345 O GLU A 84 -9.245 7.203 -3.139 1.00 0.00 O ATOM 1346 CB GLU A 84 -12.310 7.918 -2.867 1.00 0.00 C ATOM 1347 CG GLU A 84 -13.658 7.572 -3.480 1.00 0.00 C ATOM 1348 CD GLU A 84 -14.791 7.648 -2.476 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -15.049 6.635 -1.794 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -15.423 8.721 -2.373 1.00 0.00 O ATOM 0 H GLU A 84 -11.171 6.408 -4.784 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.431 9.310 -4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.956 7.065 -2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.441 8.745 -2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.863 8.253 -4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.615 6.567 -3.899 1.00 0.00 H new ATOM 1357 N TRP A 85 -9.392 9.419 -2.780 1.00 0.00 N ATOM 1358 CA TRP A 85 -8.094 9.503 -2.124 1.00 0.00 C ATOM 1359 C TRP A 85 -8.150 8.864 -0.741 1.00 0.00 C ATOM 1360 O TRP A 85 -8.352 9.544 0.266 1.00 0.00 O ATOM 1361 CB TRP A 85 -7.643 10.962 -2.026 1.00 0.00 C ATOM 1362 CG TRP A 85 -7.187 11.540 -3.328 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -7.625 12.682 -3.925 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -6.195 10.994 -4.189 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -6.964 12.876 -5.116 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -6.078 11.847 -5.298 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -5.400 9.864 -4.118 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -5.185 11.594 -6.337 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -4.512 9.608 -5.143 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -4.410 10.471 -6.242 1.00 0.00 C ATOM 0 H TRP A 85 -9.886 10.308 -2.856 1.00 0.00 H new ATOM 0 HA TRP A 85 -7.366 8.955 -2.723 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -8.467 11.563 -1.641 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -6.831 11.034 -1.303 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -8.381 13.340 -3.523 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -7.109 13.656 -5.757 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -5.473 9.193 -3.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -5.108 12.259 -7.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -3.886 8.729 -5.097 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -3.706 10.245 -7.029 1.00 0.00 H new ATOM 1381 N LEU A 86 -7.969 7.547 -0.705 1.00 0.00 N ATOM 1382 CA LEU A 86 -8.007 6.788 0.540 1.00 0.00 C ATOM 1383 C LEU A 86 -6.738 6.976 1.362 1.00 0.00 C ATOM 1384 O LEU A 86 -5.705 6.389 1.054 1.00 0.00 O ATOM 1385 CB LEU A 86 -8.192 5.299 0.238 1.00 0.00 C ATOM 1386 CG LEU A 86 -9.551 4.891 -0.346 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -9.862 3.453 0.025 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.657 5.819 0.137 1.00 0.00 C ATOM 0 H LEU A 86 -7.793 6.979 -1.534 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.848 7.163 1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.413 4.991 -0.459 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.033 4.740 1.160 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.498 4.974 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.828 3.170 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.088 2.798 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.894 3.356 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.608 5.506 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.719 5.776 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.437 6.840 -0.174 1.00 0.00 H new ATOM 1400 N TRP A 87 -6.820 7.776 2.422 1.00 0.00 N ATOM 1401 CA TRP A 87 -5.660 8.003 3.271 1.00 0.00 C ATOM 1402 C TRP A 87 -5.217 6.700 3.906 1.00 0.00 C ATOM 1403 O TRP A 87 -6.013 5.983 4.515 1.00 0.00 O ATOM 1404 CB TRP A 87 -5.949 9.039 4.349 1.00 0.00 C ATOM 1405 CG TRP A 87 -5.604 10.435 3.930 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -6.471 11.393 3.491 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -4.296 11.028 3.898 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -5.788 12.544 3.187 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -4.453 12.347 3.427 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -3.005 10.579 4.221 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -3.378 13.217 3.267 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -1.941 11.448 4.060 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -2.133 12.750 3.587 1.00 0.00 C ATOM 0 H TRP A 87 -7.665 8.270 2.709 1.00 0.00 H new ATOM 0 HA TRP A 87 -4.858 8.390 2.643 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -7.006 8.996 4.612 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -5.386 8.786 5.248 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -7.539 11.264 3.397 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -6.206 13.407 2.839 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -2.846 9.576 4.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -3.522 14.224 2.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -0.943 11.115 4.304 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.279 13.401 3.472 1.00 0.00 H new ATOM 1424 N MET A 88 -3.942 6.405 3.756 1.00 0.00 N ATOM 1425 CA MET A 88 -3.365 5.181 4.284 1.00 0.00 C ATOM 1426 C MET A 88 -2.026 5.437 4.936 1.00 0.00 C ATOM 1427 O MET A 88 -1.379 6.450 4.691 1.00 0.00 O ATOM 1428 CB MET A 88 -3.164 4.171 3.159 1.00 0.00 C ATOM 1429 CG MET A 88 -4.419 3.877 2.381 1.00 0.00 C ATOM 1430 SD MET A 88 -5.298 2.428 2.968 1.00 0.00 S ATOM 1431 CE MET A 88 -6.638 2.406 1.789 1.00 0.00 C ATOM 0 H MET A 88 -3.277 7.003 3.267 1.00 0.00 H new ATOM 0 HA MET A 88 -4.057 4.791 5.031 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.403 4.548 2.476 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.782 3.241 3.581 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.081 4.741 2.434 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.162 3.736 1.331 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.893 1.374 1.547 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.508 2.903 2.218 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.333 2.927 0.881 1.00 0.00 H new ATOM 1441 N ARG A 89 -1.629 4.497 5.769 1.00 0.00 N ATOM 1442 CA ARG A 89 -0.353 4.554 6.447 1.00 0.00 C ATOM 1443 C ARG A 89 0.469 3.347 6.025 1.00 0.00 C ATOM 1444 O ARG A 89 0.044 2.209 6.216 1.00 0.00 O ATOM 1445 CB ARG A 89 -0.550 4.536 7.959 1.00 0.00 C ATOM 1446 CG ARG A 89 -1.545 5.563 8.456 1.00 0.00 C ATOM 1447 CD ARG A 89 -1.059 6.207 9.736 1.00 0.00 C ATOM 1448 NE ARG A 89 -1.075 5.277 10.862 1.00 0.00 N ATOM 1449 CZ ARG A 89 -0.352 5.441 11.966 1.00 0.00 C ATOM 1450 NH1 ARG A 89 0.448 6.492 12.089 1.00 0.00 N ATOM 1451 NH2 ARG A 89 -0.427 4.553 12.948 1.00 0.00 N ATOM 0 H ARG A 89 -2.184 3.671 5.994 1.00 0.00 H new ATOM 0 HA ARG A 89 0.161 5.477 6.179 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.884 3.543 8.261 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.411 4.710 8.444 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.697 6.327 7.694 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.511 5.087 8.627 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.046 6.581 9.590 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.686 7.068 9.969 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.675 4.455 10.798 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.510 7.177 11.336 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.001 6.615 12.937 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.040 3.743 12.857 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.128 4.680 13.794 1.00 0.00 H new ATOM 1465 N THR A 90 1.641 3.581 5.462 1.00 0.00 N ATOM 1466 CA THR A 90 2.465 2.477 4.990 1.00 0.00 C ATOM 1467 C THR A 90 3.514 2.040 5.991 1.00 0.00 C ATOM 1468 O THR A 90 4.178 2.869 6.620 1.00 0.00 O ATOM 1469 CB THR A 90 3.201 2.828 3.694 1.00 0.00 C ATOM 1470 OG1 THR A 90 4.430 3.494 3.994 1.00 0.00 O ATOM 1471 CG2 THR A 90 2.344 3.707 2.817 1.00 0.00 C ATOM 0 H THR A 90 2.041 4.509 5.321 1.00 0.00 H new ATOM 0 HA THR A 90 1.758 1.663 4.829 1.00 0.00 H new ATOM 0 HB THR A 90 3.414 1.903 3.158 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.183 2.923 3.735 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.885 3.945 1.901 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.421 3.183 2.568 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.106 4.629 3.348 1.00 0.00 H new ATOM 1479 N SER A 91 3.656 0.721 6.104 1.00 0.00 N ATOM 1480 CA SER A 91 4.656 0.105 6.959 1.00 0.00 C ATOM 1481 C SER A 91 5.679 -0.572 6.055 1.00 0.00 C ATOM 1482 O SER A 91 5.748 -1.798 5.974 1.00 0.00 O ATOM 1483 CB SER A 91 4.008 -0.913 7.901 1.00 0.00 C ATOM 1484 OG SER A 91 3.814 -0.363 9.192 1.00 0.00 O ATOM 0 H SER A 91 3.075 0.050 5.601 1.00 0.00 H new ATOM 0 HA SER A 91 5.140 0.858 7.581 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.050 -1.234 7.491 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.638 -1.800 7.971 1.00 0.00 H new ATOM 0 HG SER A 91 3.397 -1.033 9.774 1.00 0.00 H new ATOM 1490 N SER A 92 6.459 0.255 5.365 1.00 0.00 N ATOM 1491 CA SER A 92 7.450 -0.223 4.409 1.00 0.00 C ATOM 1492 C SER A 92 8.751 -0.634 5.079 1.00 0.00 C ATOM 1493 O SER A 92 9.384 0.152 5.771 1.00 0.00 O ATOM 1494 CB SER A 92 7.730 0.859 3.371 1.00 0.00 C ATOM 1495 OG SER A 92 6.588 1.671 3.162 1.00 0.00 O ATOM 0 H SER A 92 6.422 1.271 5.453 1.00 0.00 H new ATOM 0 HA SER A 92 7.035 -1.109 3.928 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.565 1.477 3.701 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.029 0.397 2.430 1.00 0.00 H new ATOM 0 HG SER A 92 6.868 2.552 2.838 1.00 0.00 H new ATOM 1501 N GLN A 93 9.146 -1.873 4.854 1.00 0.00 N ATOM 1502 CA GLN A 93 10.379 -2.400 5.410 1.00 0.00 C ATOM 1503 C GLN A 93 10.817 -3.615 4.614 1.00 0.00 C ATOM 1504 O GLN A 93 9.984 -4.403 4.182 1.00 0.00 O ATOM 1505 CB GLN A 93 10.205 -2.755 6.880 1.00 0.00 C ATOM 1506 CG GLN A 93 9.157 -3.820 7.139 1.00 0.00 C ATOM 1507 CD GLN A 93 9.078 -4.192 8.602 1.00 0.00 C ATOM 1508 OE1 GLN A 93 10.195 -4.039 9.295 1.00 0.00 O flip ATOM 1509 NE2 GLN A 93 8.030 -4.603 9.100 1.00 0.00 N flip ATOM 0 H GLN A 93 8.625 -2.540 4.284 1.00 0.00 H new ATOM 0 HA GLN A 93 11.151 -1.633 5.344 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.161 -3.097 7.276 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.936 -1.854 7.431 1.00 0.00 H new ATOM 0 HG2 GLN A 93 8.184 -3.461 6.803 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.389 -4.708 6.551 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.196 -4.703 8.522 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.996 -4.843 10.091 1.00 0.00 H new ATOM 1518 N THR A 94 12.124 -3.764 4.440 1.00 0.00 N ATOM 1519 CA THR A 94 12.673 -4.867 3.665 1.00 0.00 C ATOM 1520 C THR A 94 11.910 -6.160 3.910 1.00 0.00 C ATOM 1521 O THR A 94 11.845 -6.665 5.030 1.00 0.00 O ATOM 1522 CB THR A 94 14.161 -5.066 3.979 1.00 0.00 C ATOM 1523 OG1 THR A 94 14.317 -5.702 5.253 1.00 0.00 O ATOM 1524 CG2 THR A 94 14.868 -3.721 3.988 1.00 0.00 C ATOM 0 H THR A 94 12.825 -3.132 4.827 1.00 0.00 H new ATOM 0 HA THR A 94 12.566 -4.607 2.612 1.00 0.00 H new ATOM 0 HB THR A 94 14.602 -5.701 3.211 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.434 -5.908 5.626 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.925 -3.867 4.211 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.766 -3.250 3.011 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.421 -3.080 4.748 1.00 0.00 H new ATOM 1532 N ALA A 95 11.326 -6.672 2.834 1.00 0.00 N ATOM 1533 CA ALA A 95 10.533 -7.894 2.871 1.00 0.00 C ATOM 1534 C ALA A 95 11.261 -9.057 3.521 1.00 0.00 C ATOM 1535 O ALA A 95 12.400 -8.941 3.972 1.00 0.00 O ATOM 1536 CB ALA A 95 10.132 -8.289 1.465 1.00 0.00 C ATOM 0 H ALA A 95 11.389 -6.250 1.908 1.00 0.00 H new ATOM 0 HA ALA A 95 9.655 -7.676 3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.539 -9.203 1.499 1.00 0.00 H new ATOM 0 HB2 ALA A 95 9.541 -7.490 1.017 1.00 0.00 H new ATOM 0 HB3 ALA A 95 11.026 -8.458 0.866 1.00 0.00 H new ATOM 1542 N GLN A 96 10.571 -10.185 3.548 1.00 0.00 N ATOM 1543 CA GLN A 96 11.093 -11.409 4.110 1.00 0.00 C ATOM 1544 C GLN A 96 11.664 -12.287 3.013 1.00 0.00 C ATOM 1545 O GLN A 96 11.063 -12.439 1.949 1.00 0.00 O ATOM 1546 CB GLN A 96 9.973 -12.136 4.836 1.00 0.00 C ATOM 1547 CG GLN A 96 9.055 -11.200 5.603 1.00 0.00 C ATOM 1548 CD GLN A 96 8.691 -11.732 6.974 1.00 0.00 C ATOM 1549 OE1 GLN A 96 8.601 -12.942 7.181 1.00 0.00 O ATOM 1550 NE2 GLN A 96 8.485 -10.826 7.921 1.00 0.00 N ATOM 0 H GLN A 96 9.625 -10.273 3.176 1.00 0.00 H new ATOM 0 HA GLN A 96 11.893 -11.176 4.813 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.385 -12.700 4.112 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.405 -12.859 5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.540 -10.230 5.711 1.00 0.00 H new ATOM 0 HG3 GLN A 96 8.144 -11.038 5.027 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.571 -9.833 7.704 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.241 -11.122 8.866 1.00 0.00 H new ATOM 1619 N ASP A 101 15.525 -8.337 -0.240 1.00 0.00 N ATOM 1620 CA ASP A 101 16.010 -7.182 -0.984 1.00 0.00 C ATOM 1621 C ASP A 101 14.838 -6.306 -1.410 1.00 0.00 C ATOM 1622 O ASP A 101 15.022 -5.191 -1.899 1.00 0.00 O ATOM 1623 CB ASP A 101 16.803 -7.630 -2.213 1.00 0.00 C ATOM 1624 CG ASP A 101 15.992 -8.527 -3.129 1.00 0.00 C ATOM 1625 OD1 ASP A 101 15.227 -7.993 -3.959 1.00 0.00 O ATOM 1626 OD2 ASP A 101 16.121 -9.764 -3.015 1.00 0.00 O ATOM 0 HA ASP A 101 16.670 -6.604 -0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.134 -6.752 -2.768 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.699 -8.160 -1.890 1.00 0.00 H new ATOM 1631 N GLU A 102 13.629 -6.827 -1.213 1.00 0.00 N ATOM 1632 CA GLU A 102 12.412 -6.106 -1.565 1.00 0.00 C ATOM 1633 C GLU A 102 11.982 -5.189 -0.441 1.00 0.00 C ATOM 1634 O GLU A 102 12.776 -4.818 0.422 1.00 0.00 O ATOM 1635 CB GLU A 102 11.268 -7.068 -1.870 1.00 0.00 C ATOM 1636 CG GLU A 102 11.548 -7.972 -3.035 1.00 0.00 C ATOM 1637 CD GLU A 102 10.336 -8.195 -3.914 1.00 0.00 C ATOM 1638 OE1 GLU A 102 10.113 -7.375 -4.827 1.00 0.00 O ATOM 1639 OE2 GLU A 102 9.610 -9.187 -3.692 1.00 0.00 O ATOM 0 H GLU A 102 13.468 -7.750 -0.810 1.00 0.00 H new ATOM 0 HA GLU A 102 12.638 -5.517 -2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 102 11.068 -7.675 -0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.364 -6.494 -2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.352 -7.545 -3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.904 -8.934 -2.665 1.00 0.00 H new ATOM 1646 N ILE A 103 10.706 -4.837 -0.465 1.00 0.00 N ATOM 1647 CA ILE A 103 10.133 -3.959 0.547 1.00 0.00 C ATOM 1648 C ILE A 103 8.676 -4.296 0.830 1.00 0.00 C ATOM 1649 O ILE A 103 7.790 -4.043 0.010 1.00 0.00 O ATOM 1650 CB ILE A 103 10.235 -2.471 0.135 1.00 0.00 C ATOM 1651 CG1 ILE A 103 11.698 -2.082 -0.098 1.00 0.00 C ATOM 1652 CG2 ILE A 103 9.588 -1.570 1.188 1.00 0.00 C ATOM 1653 CD1 ILE A 103 11.891 -0.697 -0.682 1.00 0.00 C ATOM 0 H ILE A 103 10.044 -5.147 -1.177 1.00 0.00 H new ATOM 0 HA ILE A 103 10.716 -4.120 1.454 1.00 0.00 H new ATOM 0 HB ILE A 103 9.692 -2.333 -0.800 1.00 0.00 H new ATOM 0 HG12 ILE A 103 12.233 -2.141 0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.154 -2.812 -0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.672 -0.529 0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.536 -1.833 1.295 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.095 -1.705 2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 103 12.955 -0.503 -0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.388 -0.636 -1.647 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.469 0.045 -0.005 1.00 0.00 H new ATOM 1665 N GLU A 104 8.447 -4.886 1.996 1.00 0.00 N ATOM 1666 CA GLU A 104 7.112 -5.241 2.441 1.00 0.00 C ATOM 1667 C GLU A 104 6.421 -4.007 3.004 1.00 0.00 C ATOM 1668 O GLU A 104 6.784 -3.515 4.074 1.00 0.00 O ATOM 1669 CB GLU A 104 7.196 -6.319 3.514 1.00 0.00 C ATOM 1670 CG GLU A 104 5.937 -7.157 3.630 1.00 0.00 C ATOM 1671 CD GLU A 104 6.067 -8.269 4.652 1.00 0.00 C ATOM 1672 OE1 GLU A 104 6.616 -9.336 4.303 1.00 0.00 O ATOM 1673 OE2 GLU A 104 5.620 -8.074 5.802 1.00 0.00 O ATOM 0 H GLU A 104 9.184 -5.131 2.658 1.00 0.00 H new ATOM 0 HA GLU A 104 6.539 -5.623 1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.040 -6.974 3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 104 7.399 -5.848 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.101 -6.513 3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.702 -7.589 2.657 1.00 0.00 H new ATOM 1680 N THR A 105 5.427 -3.513 2.285 1.00 0.00 N ATOM 1681 CA THR A 105 4.707 -2.323 2.701 1.00 0.00 C ATOM 1682 C THR A 105 3.266 -2.636 3.085 1.00 0.00 C ATOM 1683 O THR A 105 2.454 -3.010 2.238 1.00 0.00 O ATOM 1684 CB THR A 105 4.734 -1.265 1.583 1.00 0.00 C ATOM 1685 OG1 THR A 105 6.049 -0.716 1.487 1.00 0.00 O ATOM 1686 CG2 THR A 105 3.733 -0.148 1.835 1.00 0.00 C ATOM 0 H THR A 105 5.100 -3.919 1.408 1.00 0.00 H new ATOM 0 HA THR A 105 5.209 -1.930 3.585 1.00 0.00 H new ATOM 0 HB THR A 105 4.457 -1.754 0.649 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.195 -0.373 0.581 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.785 0.577 1.023 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.727 -0.565 1.886 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.969 0.346 2.778 1.00 0.00 H new ATOM 1694 N ILE A 106 2.956 -2.476 4.370 1.00 0.00 N ATOM 1695 CA ILE A 106 1.604 -2.728 4.860 1.00 0.00 C ATOM 1696 C ILE A 106 0.777 -1.455 4.815 1.00 0.00 C ATOM 1697 O ILE A 106 0.920 -0.577 5.667 1.00 0.00 O ATOM 1698 CB ILE A 106 1.589 -3.277 6.302 1.00 0.00 C ATOM 1699 CG1 ILE A 106 2.267 -4.647 6.361 1.00 0.00 C ATOM 1700 CG2 ILE A 106 0.153 -3.371 6.818 1.00 0.00 C ATOM 1701 CD1 ILE A 106 3.776 -4.586 6.256 1.00 0.00 C ATOM 0 H ILE A 106 3.618 -2.175 5.086 1.00 0.00 H new ATOM 0 HA ILE A 106 1.175 -3.484 4.203 1.00 0.00 H new ATOM 0 HB ILE A 106 2.145 -2.590 6.940 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.997 -5.136 7.297 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.881 -5.269 5.553 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.157 -3.760 7.836 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.302 -2.381 6.809 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.421 -4.040 6.177 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.185 -5.595 6.305 1.00 0.00 H new ATOM 0 HD12 ILE A 106 4.056 -4.127 5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.174 -3.992 7.079 1.00 0.00 H new ATOM 1713 N ILE A 107 -0.087 -1.355 3.816 1.00 0.00 N ATOM 1714 CA ILE A 107 -0.938 -0.191 3.669 1.00 0.00 C ATOM 1715 C ILE A 107 -2.176 -0.308 4.554 1.00 0.00 C ATOM 1716 O ILE A 107 -3.086 -1.083 4.267 1.00 0.00 O ATOM 1717 CB ILE A 107 -1.357 -0.003 2.210 1.00 0.00 C ATOM 1718 CG1 ILE A 107 -0.111 0.196 1.352 1.00 0.00 C ATOM 1719 CG2 ILE A 107 -2.303 1.180 2.087 1.00 0.00 C ATOM 1720 CD1 ILE A 107 -0.390 0.166 -0.128 1.00 0.00 C ATOM 0 H ILE A 107 -0.215 -2.067 3.097 1.00 0.00 H new ATOM 0 HA ILE A 107 -0.364 0.681 3.983 1.00 0.00 H new ATOM 0 HB ILE A 107 -1.885 -0.890 1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.348 1.151 1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.614 -0.581 1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.595 1.305 1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -3.191 1.001 2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.803 2.084 2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 107 0.540 0.314 -0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.821 -0.798 -0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.091 0.961 -0.382 1.00 0.00 H new ATOM 1732 N CYS A 108 -2.203 0.475 5.627 1.00 0.00 N ATOM 1733 CA CYS A 108 -3.314 0.444 6.574 1.00 0.00 C ATOM 1734 C CYS A 108 -4.204 1.675 6.451 1.00 0.00 C ATOM 1735 O CYS A 108 -3.732 2.806 6.545 1.00 0.00 O ATOM 1736 CB CYS A 108 -2.773 0.349 8.000 1.00 0.00 C ATOM 1737 SG CYS A 108 -4.036 0.503 9.286 1.00 0.00 S ATOM 0 H CYS A 108 -1.467 1.140 5.864 1.00 0.00 H new ATOM 0 HA CYS A 108 -3.920 -0.431 6.341 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -2.263 -0.607 8.120 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.026 1.129 8.146 1.00 0.00 H new ATOM 0 HG CYS A 108 -5.111 -0.128 8.916 1.00 0.00 H new ATOM 1743 N THR A 109 -5.498 1.444 6.244 1.00 0.00 N ATOM 1744 CA THR A 109 -6.462 2.535 6.138 1.00 0.00 C ATOM 1745 C THR A 109 -6.399 3.399 7.395 1.00 0.00 C ATOM 1746 O THR A 109 -6.180 2.885 8.492 1.00 0.00 O ATOM 1747 CB THR A 109 -7.897 2.001 5.978 1.00 0.00 C ATOM 1748 OG1 THR A 109 -8.237 1.164 7.091 1.00 0.00 O ATOM 1749 CG2 THR A 109 -8.038 1.214 4.687 1.00 0.00 C ATOM 0 H THR A 109 -5.902 0.513 6.147 1.00 0.00 H new ATOM 0 HA THR A 109 -6.206 3.123 5.257 1.00 0.00 H new ATOM 0 HB THR A 109 -8.576 2.853 5.944 1.00 0.00 H new ATOM 0 HG1 THR A 109 -7.601 0.420 7.147 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.060 0.846 4.595 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.807 1.860 3.840 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.348 0.370 4.698 1.00 0.00 H new ATOM 1757 N ASN A 110 -6.592 4.704 7.243 1.00 0.00 N ATOM 1758 CA ASN A 110 -6.542 5.608 8.391 1.00 0.00 C ATOM 1759 C ASN A 110 -7.941 5.965 8.881 1.00 0.00 C ATOM 1760 O ASN A 110 -8.398 5.450 9.902 1.00 0.00 O ATOM 1761 CB ASN A 110 -5.768 6.881 8.048 1.00 0.00 C ATOM 1762 CG ASN A 110 -5.376 7.661 9.288 1.00 0.00 C ATOM 1763 OD1 ASN A 110 -4.153 7.450 9.762 1.00 0.00 O flip ATOM 1764 ND2 ASN A 110 -6.160 8.453 9.811 1.00 0.00 N flip ATOM 0 H ASN A 110 -6.782 5.158 6.349 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.022 5.085 9.194 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -4.871 6.619 7.486 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -6.377 7.512 7.401 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -7.091 8.586 9.415 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.879 8.976 10.640 1.00 0.00 H new