USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 815 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 108 SER OG : rot 180:sc= 0.988 USER MOD Set 1.2: A 124 THR OG1 : rot -96:sc= 1.28 USER MOD Set 2.1: A 95 CYS SG : rot -175:sc= -2.01 USER MOD Set 2.2: A 97 GLN : amide:sc= -1.64 K(o=-3.6,f=-6.5!) USER MOD Set 3.1: A 51 TYR OH : rot -130:sc= -1.89 USER MOD Set 3.2: A 53 LYS NZ :NH3+ -132:sc= -0.0889 (180deg=-0.597) USER MOD Single : A 4 SER OG : rot -9:sc= 0.813! USER MOD Single : A 6 ASN : amide:sc= -1.64 K(o=-1.6,f=-2.9) USER MOD Single : A 8 LYS NZ :NH3+ -141:sc= -0.272 (180deg=-1.57!) USER MOD Single : A 12 SER OG : rot -170:sc= -1.11 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= -0.697 F(o=-2.8,f=-0.7) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= -1.11 F(o=-4.2!,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 CYS SG : rot 180:sc= -0.554 USER MOD Single : A 82 LYS NZ :NH3+ -143:sc= -0.156 (180deg=-1.63!) USER MOD Single : A 83 SER OG : rot 124:sc= 0.788 USER MOD Single : A 86 LYS NZ :NH3+ -159:sc= -1.22 (180deg=-1.79) USER MOD Single : A 89 SER OG : rot 180:sc= -0.103 USER MOD Single : A 91 ASN : amide:sc= -1.66 K(o=-1.7,f=-8.9!) USER MOD Single : A 92 LYS NZ :NH3+ 134:sc= -0.291 (180deg=-1.52!) USER MOD Single : A 93 MET CE :methyl 173:sc= -5.28! (180deg=-5.37!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0408 USER MOD Single : A 110 THR OG1 : rot 30:sc= 0.78 USER MOD Single : A 122 THR OG1 : rot 180:sc= -2.67! USER MOD Single : A 123 MET CE :methyl -165:sc= -0.336 (180deg=-0.93) USER MOD Single : A 130 CYS SG : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.637 USER MOD Single : A 134 TYR OH : rot 180:sc= -0.465 USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 3 -13.130 2.327 5.775 1.00 0.00 N ATOM 32 CA PHE A 3 -12.265 2.186 4.541 1.00 0.00 C ATOM 33 C PHE A 3 -13.017 2.656 3.278 1.00 0.00 C ATOM 34 O PHE A 3 -12.467 3.368 2.460 1.00 0.00 O ATOM 35 CB PHE A 3 -11.793 0.741 4.291 1.00 0.00 C ATOM 36 CG PHE A 3 -10.958 0.210 5.435 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.570 -0.368 6.551 1.00 0.00 C ATOM 38 CD2 PHE A 3 -9.560 0.246 5.352 1.00 0.00 C ATOM 39 CE1 PHE A 3 -10.806 -0.911 7.566 1.00 0.00 C ATOM 40 CE2 PHE A 3 -8.787 -0.293 6.389 1.00 0.00 C ATOM 41 CZ PHE A 3 -9.419 -0.881 7.498 1.00 0.00 C ATOM 0 HA PHE A 3 -11.393 2.812 4.733 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -12.660 0.097 4.146 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -11.211 0.704 3.370 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -12.648 -0.390 6.620 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -9.080 0.688 4.492 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -11.291 -1.362 8.419 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -7.709 -0.257 6.336 1.00 0.00 H new ATOM 0 HZ PHE A 3 -8.828 -1.308 8.295 1.00 0.00 H new ATOM 51 N SER A 4 -14.255 2.245 3.089 1.00 0.00 N ATOM 52 CA SER A 4 -15.026 2.639 1.865 1.00 0.00 C ATOM 53 C SER A 4 -14.960 4.158 1.638 1.00 0.00 C ATOM 54 O SER A 4 -15.315 4.934 2.506 1.00 0.00 O ATOM 55 CB SER A 4 -16.491 2.222 2.040 1.00 0.00 C ATOM 56 OG SER A 4 -17.182 3.194 2.819 1.00 0.00 O ATOM 0 H SER A 4 -14.766 1.648 3.739 1.00 0.00 H new ATOM 0 HA SER A 4 -14.587 2.139 1.002 1.00 0.00 H new ATOM 0 HB2 SER A 4 -16.968 2.119 1.065 1.00 0.00 H new ATOM 0 HB3 SER A 4 -16.545 1.248 2.526 1.00 0.00 H new ATOM 0 HG SER A 4 -16.539 3.836 3.186 1.00 0.00 H new ATOM 62 N GLY A 5 -14.526 4.584 0.477 1.00 0.00 N ATOM 63 CA GLY A 5 -14.459 6.048 0.197 1.00 0.00 C ATOM 64 C GLY A 5 -13.181 6.378 -0.559 1.00 0.00 C ATOM 65 O GLY A 5 -12.184 5.690 -0.455 1.00 0.00 O ATOM 0 H GLY A 5 -14.217 3.981 -0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.326 6.354 -0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.492 6.607 1.132 1.00 0.00 H new ATOM 69 N ASN A 6 -13.205 7.453 -1.292 1.00 0.00 N ATOM 70 CA ASN A 6 -11.997 7.882 -2.039 1.00 0.00 C ATOM 71 C ASN A 6 -11.057 8.502 -1.028 1.00 0.00 C ATOM 72 O ASN A 6 -11.500 8.980 0.003 1.00 0.00 O ATOM 73 CB ASN A 6 -12.373 8.908 -3.111 1.00 0.00 C ATOM 74 CG ASN A 6 -11.141 9.241 -3.954 1.00 0.00 C ATOM 75 OD1 ASN A 6 -10.233 9.902 -3.489 1.00 0.00 O ATOM 76 ND2 ASN A 6 -11.070 8.809 -5.183 1.00 0.00 N ATOM 0 H ASN A 6 -14.019 8.058 -1.406 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.528 7.037 -2.543 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -13.165 8.512 -3.746 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -12.762 9.812 -2.643 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -10.253 9.026 -5.753 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -11.832 8.254 -5.573 1.00 0.00 H new ATOM 83 N TRP A 7 -9.771 8.465 -1.265 1.00 0.00 N ATOM 84 CA TRP A 7 -8.845 9.024 -0.238 1.00 0.00 C ATOM 85 C TRP A 7 -7.834 9.991 -0.814 1.00 0.00 C ATOM 86 O TRP A 7 -7.165 9.717 -1.793 1.00 0.00 O ATOM 87 CB TRP A 7 -8.101 7.878 0.409 1.00 0.00 C ATOM 88 CG TRP A 7 -9.073 6.956 1.043 1.00 0.00 C ATOM 89 CD1 TRP A 7 -9.548 5.818 0.499 1.00 0.00 C ATOM 90 CD2 TRP A 7 -9.714 7.101 2.326 1.00 0.00 C ATOM 91 NE1 TRP A 7 -10.405 5.222 1.404 1.00 0.00 N ATOM 92 CE2 TRP A 7 -10.546 5.986 2.549 1.00 0.00 C ATOM 93 CE3 TRP A 7 -9.633 8.086 3.310 1.00 0.00 C ATOM 94 CZ2 TRP A 7 -11.280 5.854 3.730 1.00 0.00 C ATOM 95 CZ3 TRP A 7 -10.372 7.978 4.487 1.00 0.00 C ATOM 96 CH2 TRP A 7 -11.197 6.860 4.705 1.00 0.00 C ATOM 0 H TRP A 7 -9.331 8.083 -2.102 1.00 0.00 H new ATOM 0 HA TRP A 7 -9.450 9.577 0.481 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -7.511 7.345 -0.337 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -7.403 8.258 1.155 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -9.300 5.436 -0.480 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -10.875 4.330 1.248 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.991 8.941 3.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -11.904 4.988 3.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -10.311 8.756 5.234 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -11.765 6.776 5.620 1.00 0.00 H new ATOM 107 N LYS A 8 -7.703 11.120 -0.172 1.00 0.00 N ATOM 108 CA LYS A 8 -6.716 12.126 -0.622 1.00 0.00 C ATOM 109 C LYS A 8 -5.427 11.926 0.179 1.00 0.00 C ATOM 110 O LYS A 8 -5.455 11.422 1.287 1.00 0.00 O ATOM 111 CB LYS A 8 -7.263 13.541 -0.386 1.00 0.00 C ATOM 112 CG LYS A 8 -8.745 13.603 -0.777 1.00 0.00 C ATOM 113 CD LYS A 8 -8.900 13.271 -2.264 1.00 0.00 C ATOM 114 CE LYS A 8 -8.384 14.439 -3.107 1.00 0.00 C ATOM 115 NZ LYS A 8 -9.098 15.689 -2.717 1.00 0.00 N ATOM 0 H LYS A 8 -8.245 11.385 0.651 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.519 12.005 -1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.143 13.816 0.662 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.693 14.262 -0.972 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.320 12.899 -0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.144 14.597 -0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.346 12.363 -2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -9.947 13.076 -2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.311 14.560 -2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.540 14.234 -4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.295 16.256 -3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.994 15.445 -2.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.504 16.239 -2.064 1.00 0.00 H new ATOM 129 N ILE A 9 -4.301 12.302 -0.371 1.00 0.00 N ATOM 130 CA ILE A 9 -3.013 12.118 0.360 1.00 0.00 C ATOM 131 C ILE A 9 -2.928 13.131 1.514 1.00 0.00 C ATOM 132 O ILE A 9 -3.354 14.263 1.397 1.00 0.00 O ATOM 133 CB ILE A 9 -1.839 12.255 -0.646 1.00 0.00 C ATOM 134 CG1 ILE A 9 -0.721 11.270 -0.271 1.00 0.00 C ATOM 135 CG2 ILE A 9 -1.278 13.687 -0.695 1.00 0.00 C ATOM 136 CD1 ILE A 9 -0.123 11.623 1.095 1.00 0.00 C ATOM 0 H ILE A 9 -4.219 12.728 -1.294 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.954 11.124 0.803 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.226 12.023 -1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.117 10.255 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.059 11.291 -1.032 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.459 13.733 -1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.066 14.376 -0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.911 13.968 0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.667 10.913 1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.292 12.630 1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.902 11.577 1.856 1.00 0.00 H new ATOM 148 N ILE A 10 -2.376 12.713 2.616 1.00 0.00 N ATOM 149 CA ILE A 10 -2.241 13.598 3.796 1.00 0.00 C ATOM 150 C ILE A 10 -1.011 13.127 4.588 1.00 0.00 C ATOM 151 O ILE A 10 -0.958 12.014 5.070 1.00 0.00 O ATOM 152 CB ILE A 10 -3.540 13.510 4.632 1.00 0.00 C ATOM 153 CG1 ILE A 10 -4.632 14.363 3.962 1.00 0.00 C ATOM 154 CG2 ILE A 10 -3.325 14.021 6.066 1.00 0.00 C ATOM 155 CD1 ILE A 10 -5.578 13.466 3.157 1.00 0.00 C ATOM 0 H ILE A 10 -2.005 11.772 2.748 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.099 14.642 3.515 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.840 12.463 4.680 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.193 14.910 4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.175 15.104 3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.259 13.944 6.623 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.559 13.419 6.556 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.005 15.062 6.037 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.347 14.078 2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.013 12.939 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.047 12.742 3.823 1.00 0.00 H new ATOM 167 N ARG A 11 -0.023 13.971 4.691 1.00 0.00 N ATOM 168 CA ARG A 11 1.235 13.622 5.423 1.00 0.00 C ATOM 169 C ARG A 11 1.949 12.471 4.710 1.00 0.00 C ATOM 170 O ARG A 11 1.384 11.419 4.483 1.00 0.00 O ATOM 171 CB ARG A 11 0.919 13.227 6.871 1.00 0.00 C ATOM 172 CG ARG A 11 0.862 14.487 7.738 1.00 0.00 C ATOM 173 CD ARG A 11 -0.313 15.359 7.292 1.00 0.00 C ATOM 174 NE ARG A 11 -0.659 16.321 8.376 1.00 0.00 N ATOM 175 CZ ARG A 11 -1.642 17.163 8.212 1.00 0.00 C ATOM 176 NH1 ARG A 11 -2.870 16.727 8.138 1.00 0.00 N ATOM 177 NH2 ARG A 11 -1.397 18.442 8.121 1.00 0.00 N ATOM 0 H ARG A 11 -0.031 14.909 4.291 1.00 0.00 H new ATOM 0 HA ARG A 11 1.887 14.495 5.435 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.033 12.697 6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.681 12.546 7.249 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.749 14.215 8.787 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.795 15.043 7.652 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.054 15.899 6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.175 14.734 7.057 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.127 16.321 9.246 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.061 15.728 8.208 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.638 17.386 8.010 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.437 18.783 8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.165 19.101 7.993 1.00 0.00 H new ATOM 191 N SER A 12 3.193 12.676 4.350 1.00 0.00 N ATOM 192 CA SER A 12 3.962 11.610 3.642 1.00 0.00 C ATOM 193 C SER A 12 5.460 11.924 3.713 1.00 0.00 C ATOM 194 O SER A 12 5.874 13.057 3.557 1.00 0.00 O ATOM 195 CB SER A 12 3.523 11.564 2.177 1.00 0.00 C ATOM 196 OG SER A 12 3.491 10.214 1.736 1.00 0.00 O ATOM 0 H SER A 12 3.709 13.540 4.518 1.00 0.00 H new ATOM 0 HA SER A 12 3.772 10.647 4.115 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.538 12.018 2.067 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.211 12.143 1.561 1.00 0.00 H new ATOM 0 HG SER A 12 3.366 10.190 0.764 1.00 0.00 H new ATOM 202 N GLU A 13 6.270 10.922 3.939 1.00 0.00 N ATOM 203 CA GLU A 13 7.746 11.136 4.016 1.00 0.00 C ATOM 204 C GLU A 13 8.424 9.783 4.238 1.00 0.00 C ATOM 205 O GLU A 13 9.061 9.548 5.249 1.00 0.00 O ATOM 206 CB GLU A 13 8.072 12.084 5.178 1.00 0.00 C ATOM 207 CG GLU A 13 9.576 12.368 5.203 1.00 0.00 C ATOM 208 CD GLU A 13 9.844 13.631 6.024 1.00 0.00 C ATOM 209 OE1 GLU A 13 9.951 13.515 7.234 1.00 0.00 O ATOM 210 OE2 GLU A 13 9.937 14.692 5.429 1.00 0.00 O ATOM 0 H GLU A 13 5.969 9.957 4.075 1.00 0.00 H new ATOM 0 HA GLU A 13 8.108 11.582 3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.518 13.016 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.760 11.638 6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 13 10.110 11.521 5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.950 12.496 4.187 1.00 0.00 H new ATOM 217 N ASN A 14 8.266 8.885 3.302 1.00 0.00 N ATOM 218 CA ASN A 14 8.872 7.527 3.450 1.00 0.00 C ATOM 219 C ASN A 14 9.576 7.074 2.158 1.00 0.00 C ATOM 220 O ASN A 14 10.429 6.217 2.207 1.00 0.00 O ATOM 221 CB ASN A 14 7.770 6.531 3.790 1.00 0.00 C ATOM 222 CG ASN A 14 7.593 6.460 5.308 1.00 0.00 C ATOM 223 OD1 ASN A 14 6.622 6.959 5.842 1.00 0.00 O ATOM 224 ND2 ASN A 14 8.496 5.857 6.030 1.00 0.00 N ATOM 0 H ASN A 14 7.742 9.033 2.439 1.00 0.00 H new ATOM 0 HA ASN A 14 9.617 7.570 4.244 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.835 6.833 3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.022 5.546 3.397 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.387 5.804 7.043 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.311 5.438 5.582 1.00 0.00 H new ATOM 231 N PHE A 15 9.218 7.619 1.009 1.00 0.00 N ATOM 232 CA PHE A 15 9.854 7.194 -0.295 1.00 0.00 C ATOM 233 C PHE A 15 11.386 7.089 -0.172 1.00 0.00 C ATOM 234 O PHE A 15 11.975 6.092 -0.537 1.00 0.00 O ATOM 235 CB PHE A 15 9.504 8.217 -1.393 1.00 0.00 C ATOM 236 CG PHE A 15 9.606 7.615 -2.801 1.00 0.00 C ATOM 237 CD1 PHE A 15 10.305 6.416 -3.051 1.00 0.00 C ATOM 238 CD2 PHE A 15 9.000 8.286 -3.873 1.00 0.00 C ATOM 239 CE1 PHE A 15 10.390 5.902 -4.344 1.00 0.00 C ATOM 240 CE2 PHE A 15 9.092 7.767 -5.173 1.00 0.00 C ATOM 241 CZ PHE A 15 9.788 6.573 -5.404 1.00 0.00 C ATOM 0 H PHE A 15 8.508 8.345 0.917 1.00 0.00 H new ATOM 0 HA PHE A 15 9.465 6.209 -0.553 1.00 0.00 H new ATOM 0 HB2 PHE A 15 8.492 8.589 -1.231 1.00 0.00 H new ATOM 0 HB3 PHE A 15 10.174 9.073 -1.316 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.778 5.892 -2.234 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.461 9.205 -3.697 1.00 0.00 H new ATOM 0 HE1 PHE A 15 10.924 4.981 -4.523 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.626 8.288 -5.996 1.00 0.00 H new ATOM 0 HZ PHE A 15 9.857 6.173 -6.405 1.00 0.00 H new ATOM 251 N GLU A 16 12.035 8.092 0.334 1.00 0.00 N ATOM 252 CA GLU A 16 13.520 8.012 0.456 1.00 0.00 C ATOM 253 C GLU A 16 13.878 6.952 1.488 1.00 0.00 C ATOM 254 O GLU A 16 14.845 6.229 1.333 1.00 0.00 O ATOM 255 CB GLU A 16 14.100 9.369 0.870 1.00 0.00 C ATOM 256 CG GLU A 16 13.521 10.478 -0.019 1.00 0.00 C ATOM 257 CD GLU A 16 12.422 11.226 0.739 1.00 0.00 C ATOM 258 OE1 GLU A 16 12.713 11.749 1.803 1.00 0.00 O ATOM 259 OE2 GLU A 16 11.308 11.265 0.243 1.00 0.00 O ATOM 0 H GLU A 16 11.612 8.958 0.667 1.00 0.00 H new ATOM 0 HA GLU A 16 13.946 7.741 -0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.867 9.570 1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 16 15.186 9.352 0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.310 11.171 -0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.116 10.049 -0.935 1.00 0.00 H new ATOM 266 N GLU A 17 13.090 6.830 2.522 1.00 0.00 N ATOM 267 CA GLU A 17 13.364 5.785 3.547 1.00 0.00 C ATOM 268 C GLU A 17 13.286 4.402 2.881 1.00 0.00 C ATOM 269 O GLU A 17 13.856 3.444 3.358 1.00 0.00 O ATOM 270 CB GLU A 17 12.317 5.878 4.657 1.00 0.00 C ATOM 271 CG GLU A 17 12.941 5.467 5.990 1.00 0.00 C ATOM 272 CD GLU A 17 12.089 6.007 7.140 1.00 0.00 C ATOM 273 OE1 GLU A 17 12.020 7.217 7.283 1.00 0.00 O ATOM 274 OE2 GLU A 17 11.520 5.202 7.859 1.00 0.00 O ATOM 0 H GLU A 17 12.269 7.409 2.700 1.00 0.00 H new ATOM 0 HA GLU A 17 14.356 5.933 3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.933 6.896 4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.470 5.232 4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.009 4.381 6.052 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.957 5.855 6.063 1.00 0.00 H new ATOM 281 N LEU A 18 12.586 4.305 1.773 1.00 0.00 N ATOM 282 CA LEU A 18 12.459 3.008 1.054 1.00 0.00 C ATOM 283 C LEU A 18 13.747 2.709 0.329 1.00 0.00 C ATOM 284 O LEU A 18 14.287 1.624 0.427 1.00 0.00 O ATOM 285 CB LEU A 18 11.338 3.079 0.007 1.00 0.00 C ATOM 286 CG LEU A 18 10.144 3.915 0.470 1.00 0.00 C ATOM 287 CD1 LEU A 18 8.994 3.682 -0.497 1.00 0.00 C ATOM 288 CD2 LEU A 18 9.683 3.541 1.874 1.00 0.00 C ATOM 0 H LEU A 18 12.093 5.084 1.336 1.00 0.00 H new ATOM 0 HA LEU A 18 12.233 2.233 1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.736 3.502 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.000 2.069 -0.225 1.00 0.00 H new ATOM 0 HG LEU A 18 10.452 4.961 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.131 4.270 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.295 3.984 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.730 2.624 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.833 4.163 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.387 2.492 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.499 3.700 2.579 1.00 0.00 H new ATOM 300 N LEU A 19 14.249 3.666 -0.399 1.00 0.00 N ATOM 301 CA LEU A 19 15.512 3.432 -1.129 1.00 0.00 C ATOM 302 C LEU A 19 16.713 3.633 -0.181 1.00 0.00 C ATOM 303 O LEU A 19 17.855 3.556 -0.589 1.00 0.00 O ATOM 304 CB LEU A 19 15.588 4.373 -2.346 1.00 0.00 C ATOM 305 CG LEU A 19 14.315 4.259 -3.239 1.00 0.00 C ATOM 306 CD1 LEU A 19 13.692 2.849 -3.186 1.00 0.00 C ATOM 307 CD2 LEU A 19 13.276 5.286 -2.781 1.00 0.00 C ATOM 0 H LEU A 19 13.838 4.592 -0.516 1.00 0.00 H new ATOM 0 HA LEU A 19 15.543 2.405 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.703 5.402 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.471 4.133 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 19 14.617 4.452 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.808 2.818 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.419 2.117 -3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.408 2.615 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.386 5.206 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.009 5.094 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.693 6.289 -2.869 1.00 0.00 H new ATOM 319 N LYS A 20 16.454 3.869 1.088 1.00 0.00 N ATOM 320 CA LYS A 20 17.540 4.051 2.082 1.00 0.00 C ATOM 321 C LYS A 20 17.598 2.827 3.008 1.00 0.00 C ATOM 322 O LYS A 20 18.608 2.549 3.626 1.00 0.00 O ATOM 323 CB LYS A 20 17.218 5.283 2.923 1.00 0.00 C ATOM 324 CG LYS A 20 17.846 6.516 2.284 1.00 0.00 C ATOM 325 CD LYS A 20 17.980 7.626 3.329 1.00 0.00 C ATOM 326 CE LYS A 20 18.677 8.835 2.704 1.00 0.00 C ATOM 327 NZ LYS A 20 18.280 10.071 3.437 1.00 0.00 N ATOM 0 H LYS A 20 15.513 3.943 1.473 1.00 0.00 H new ATOM 0 HA LYS A 20 18.496 4.170 1.571 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.138 5.411 3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 20 17.597 5.153 3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 20 18.826 6.267 1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 20 17.232 6.859 1.452 1.00 0.00 H new ATOM 0 HD2 LYS A 20 16.996 7.912 3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 20 18.551 7.267 4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.759 8.706 2.745 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.406 8.921 1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 18.754 10.894 3.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 17.249 10.195 3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 18.560 9.988 4.435 1.00 0.00 H new ATOM 341 N VAL A 21 16.513 2.105 3.105 1.00 0.00 N ATOM 342 CA VAL A 21 16.461 0.909 3.975 1.00 0.00 C ATOM 343 C VAL A 21 16.676 -0.331 3.118 1.00 0.00 C ATOM 344 O VAL A 21 17.214 -1.321 3.581 1.00 0.00 O ATOM 345 CB VAL A 21 15.098 0.842 4.668 1.00 0.00 C ATOM 346 CG1 VAL A 21 14.890 2.100 5.512 1.00 0.00 C ATOM 347 CG2 VAL A 21 13.978 0.736 3.627 1.00 0.00 C ATOM 0 H VAL A 21 15.647 2.304 2.605 1.00 0.00 H new ATOM 0 HA VAL A 21 17.240 0.964 4.736 1.00 0.00 H new ATOM 0 HB VAL A 21 15.072 -0.039 5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.919 2.051 6.005 1.00 0.00 H new ATOM 0 HG12 VAL A 21 15.676 2.167 6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.927 2.980 4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.014 0.689 4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.003 1.609 2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.119 -0.166 3.031 1.00 0.00 H new ATOM 357 N LEU A 22 16.298 -0.280 1.851 1.00 0.00 N ATOM 358 CA LEU A 22 16.536 -1.458 0.961 1.00 0.00 C ATOM 359 C LEU A 22 18.031 -1.793 1.013 1.00 0.00 C ATOM 360 O LEU A 22 18.440 -2.917 0.791 1.00 0.00 O ATOM 361 CB LEU A 22 16.078 -1.166 -0.495 1.00 0.00 C ATOM 362 CG LEU A 22 16.735 0.081 -1.117 1.00 0.00 C ATOM 363 CD1 LEU A 22 18.235 -0.133 -1.373 1.00 0.00 C ATOM 364 CD2 LEU A 22 16.050 0.341 -2.462 1.00 0.00 C ATOM 0 H LEU A 22 15.842 0.518 1.408 1.00 0.00 H new ATOM 0 HA LEU A 22 15.950 -2.309 1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 22 16.304 -2.032 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.996 -1.038 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 22 16.625 0.918 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.661 0.769 -1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 22 18.738 -0.350 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 22 18.371 -0.970 -2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.492 1.220 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.184 -0.524 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.986 0.512 -2.301 1.00 0.00 H new ATOM 643 N VAL A 41 -6.031 7.669 -4.396 1.00 0.00 N ATOM 644 CA VAL A 41 -6.566 6.277 -4.424 1.00 0.00 C ATOM 645 C VAL A 41 -8.093 6.324 -4.318 1.00 0.00 C ATOM 646 O VAL A 41 -8.678 7.373 -4.125 1.00 0.00 O ATOM 647 CB VAL A 41 -5.948 5.469 -3.251 1.00 0.00 C ATOM 648 CG1 VAL A 41 -6.705 5.707 -1.935 1.00 0.00 C ATOM 649 CG2 VAL A 41 -5.967 3.970 -3.583 1.00 0.00 C ATOM 0 HA VAL A 41 -6.299 5.785 -5.359 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.921 5.811 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.242 5.124 -1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.666 6.766 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.744 5.400 -2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.532 3.409 -2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.995 3.645 -3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.387 3.790 -4.488 1.00 0.00 H new ATOM 659 N GLU A 42 -8.726 5.191 -4.409 1.00 0.00 N ATOM 660 CA GLU A 42 -10.202 5.152 -4.277 1.00 0.00 C ATOM 661 C GLU A 42 -10.618 3.761 -3.825 1.00 0.00 C ATOM 662 O GLU A 42 -10.458 2.790 -4.541 1.00 0.00 O ATOM 663 CB GLU A 42 -10.861 5.501 -5.610 1.00 0.00 C ATOM 664 CG GLU A 42 -10.363 4.544 -6.693 1.00 0.00 C ATOM 665 CD GLU A 42 -10.387 5.251 -8.049 1.00 0.00 C ATOM 666 OE1 GLU A 42 -9.427 5.939 -8.354 1.00 0.00 O ATOM 667 OE2 GLU A 42 -11.365 5.093 -8.761 1.00 0.00 O ATOM 0 H GLU A 42 -8.281 4.287 -4.570 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.525 5.886 -3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.945 5.433 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.628 6.530 -5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.351 4.212 -6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.992 3.654 -6.724 1.00 0.00 H new ATOM 674 N ILE A 43 -11.138 3.659 -2.632 1.00 0.00 N ATOM 675 CA ILE A 43 -11.552 2.336 -2.112 1.00 0.00 C ATOM 676 C ILE A 43 -13.051 2.156 -2.307 1.00 0.00 C ATOM 677 O ILE A 43 -13.823 3.094 -2.250 1.00 0.00 O ATOM 678 CB ILE A 43 -11.184 2.231 -0.636 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.680 2.492 -0.484 1.00 0.00 C ATOM 680 CG2 ILE A 43 -11.515 0.827 -0.120 1.00 0.00 C ATOM 681 CD1 ILE A 43 -9.292 2.489 0.996 1.00 0.00 C ATOM 0 H ILE A 43 -11.292 4.442 -1.997 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.034 1.547 -2.658 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.750 2.964 -0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.115 1.728 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.422 3.451 -0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.251 0.755 0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -12.582 0.637 -0.241 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -10.949 0.088 -0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.222 2.675 1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.845 3.270 1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.532 1.520 1.433 1.00 0.00 H new ATOM 693 N LYS A 44 -13.448 0.949 -2.559 1.00 0.00 N ATOM 694 CA LYS A 44 -14.879 0.640 -2.793 1.00 0.00 C ATOM 695 C LYS A 44 -15.153 -0.708 -2.135 1.00 0.00 C ATOM 696 O LYS A 44 -14.685 -1.727 -2.596 1.00 0.00 O ATOM 697 CB LYS A 44 -15.099 0.566 -4.308 1.00 0.00 C ATOM 698 CG LYS A 44 -14.582 1.852 -4.957 1.00 0.00 C ATOM 699 CD LYS A 44 -15.225 2.030 -6.327 1.00 0.00 C ATOM 700 CE LYS A 44 -14.778 0.905 -7.264 1.00 0.00 C ATOM 701 NZ LYS A 44 -15.921 0.499 -8.130 1.00 0.00 N ATOM 0 H LYS A 44 -12.826 0.142 -2.614 1.00 0.00 H new ATOM 0 HA LYS A 44 -15.548 1.394 -2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.579 -0.298 -4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.159 0.435 -4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -14.811 2.708 -4.323 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.497 1.810 -5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.311 2.026 -6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.946 2.997 -6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.942 1.239 -7.879 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.426 0.052 -6.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.619 -0.265 -8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.706 0.164 -7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.237 1.315 -8.693 1.00 0.00 H new ATOM 715 N GLN A 45 -15.844 -0.725 -1.024 1.00 0.00 N ATOM 716 CA GLN A 45 -16.050 -2.025 -0.321 1.00 0.00 C ATOM 717 C GLN A 45 -17.506 -2.261 0.090 1.00 0.00 C ATOM 718 O GLN A 45 -18.232 -1.356 0.451 1.00 0.00 O ATOM 719 CB GLN A 45 -15.155 -2.028 0.923 1.00 0.00 C ATOM 720 CG GLN A 45 -15.616 -0.953 1.920 1.00 0.00 C ATOM 721 CD GLN A 45 -16.064 -1.610 3.231 1.00 0.00 C ATOM 722 OE1 GLN A 45 -16.723 -2.737 3.196 1.00 0.00 O flip ATOM 723 NE2 GLN A 45 -15.814 -1.091 4.299 1.00 0.00 N flip ATOM 0 H GLN A 45 -16.267 0.090 -0.580 1.00 0.00 H new ATOM 0 HA GLN A 45 -15.792 -2.831 -1.008 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.185 -3.009 1.397 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -14.120 -1.845 0.634 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.803 -0.253 2.114 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -16.437 -0.378 1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -15.300 -0.211 4.330 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -16.118 -1.535 5.165 1.00 0.00 H new ATOM 732 N GLU A 46 -17.902 -3.504 0.066 1.00 0.00 N ATOM 733 CA GLU A 46 -19.272 -3.891 0.478 1.00 0.00 C ATOM 734 C GLU A 46 -19.146 -4.978 1.553 1.00 0.00 C ATOM 735 O GLU A 46 -19.202 -6.159 1.262 1.00 0.00 O ATOM 736 CB GLU A 46 -20.021 -4.450 -0.731 1.00 0.00 C ATOM 737 CG GLU A 46 -21.518 -4.532 -0.419 1.00 0.00 C ATOM 738 CD GLU A 46 -22.257 -3.390 -1.123 1.00 0.00 C ATOM 739 OE1 GLU A 46 -22.336 -3.423 -2.340 1.00 0.00 O ATOM 740 OE2 GLU A 46 -22.731 -2.504 -0.432 1.00 0.00 O ATOM 0 H GLU A 46 -17.315 -4.284 -0.230 1.00 0.00 H new ATOM 0 HA GLU A 46 -19.818 -3.032 0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -19.855 -3.813 -1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -19.638 -5.439 -0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -21.915 -5.492 -0.748 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -21.678 -4.472 0.657 1.00 0.00 H new ATOM 747 N GLY A 47 -18.947 -4.588 2.788 1.00 0.00 N ATOM 748 CA GLY A 47 -18.791 -5.595 3.883 1.00 0.00 C ATOM 749 C GLY A 47 -17.354 -6.126 3.873 1.00 0.00 C ATOM 750 O GLY A 47 -16.406 -5.364 3.859 1.00 0.00 O ATOM 0 H GLY A 47 -18.886 -3.614 3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.017 -5.140 4.847 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.496 -6.415 3.744 1.00 0.00 H new ATOM 754 N ASP A 48 -17.185 -7.427 3.873 1.00 0.00 N ATOM 755 CA ASP A 48 -15.813 -8.008 3.855 1.00 0.00 C ATOM 756 C ASP A 48 -15.224 -7.957 2.440 1.00 0.00 C ATOM 757 O ASP A 48 -14.089 -8.342 2.230 1.00 0.00 O ATOM 758 CB ASP A 48 -15.870 -9.454 4.328 1.00 0.00 C ATOM 759 CG ASP A 48 -16.874 -10.236 3.479 1.00 0.00 C ATOM 760 OD1 ASP A 48 -16.487 -10.704 2.421 1.00 0.00 O ATOM 761 OD2 ASP A 48 -18.012 -10.353 3.902 1.00 0.00 O ATOM 0 H ASP A 48 -17.943 -8.110 3.885 1.00 0.00 H new ATOM 0 HA ASP A 48 -15.177 -7.424 4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.883 -9.910 4.253 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.160 -9.492 5.378 1.00 0.00 H new ATOM 766 N THR A 49 -15.963 -7.469 1.472 1.00 0.00 N ATOM 767 CA THR A 49 -15.417 -7.377 0.092 1.00 0.00 C ATOM 768 C THR A 49 -14.786 -5.992 -0.071 1.00 0.00 C ATOM 769 O THR A 49 -15.344 -5.006 0.366 1.00 0.00 O ATOM 770 CB THR A 49 -16.554 -7.545 -0.916 1.00 0.00 C ATOM 771 OG1 THR A 49 -17.230 -8.769 -0.663 1.00 0.00 O ATOM 772 CG2 THR A 49 -15.982 -7.558 -2.331 1.00 0.00 C ATOM 0 H THR A 49 -16.919 -7.132 1.583 1.00 0.00 H new ATOM 0 HA THR A 49 -14.674 -8.156 -0.080 1.00 0.00 H new ATOM 0 HB THR A 49 -17.255 -6.716 -0.818 1.00 0.00 H new ATOM 0 HG1 THR A 49 -17.961 -8.878 -1.307 1.00 0.00 H new ATOM 0 HG21 THR A 49 -16.792 -7.678 -3.050 1.00 0.00 H new ATOM 0 HG22 THR A 49 -15.463 -6.619 -2.522 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.281 -8.387 -2.433 1.00 0.00 H new ATOM 780 N PHE A 50 -13.627 -5.901 -0.673 1.00 0.00 N ATOM 781 CA PHE A 50 -12.987 -4.562 -0.833 1.00 0.00 C ATOM 782 C PHE A 50 -12.365 -4.408 -2.222 1.00 0.00 C ATOM 783 O PHE A 50 -11.925 -5.355 -2.843 1.00 0.00 O ATOM 784 CB PHE A 50 -11.891 -4.378 0.222 1.00 0.00 C ATOM 785 CG PHE A 50 -12.497 -4.519 1.591 1.00 0.00 C ATOM 786 CD1 PHE A 50 -12.681 -5.786 2.133 1.00 0.00 C ATOM 787 CD2 PHE A 50 -12.895 -3.385 2.305 1.00 0.00 C ATOM 788 CE1 PHE A 50 -13.268 -5.931 3.388 1.00 0.00 C ATOM 789 CE2 PHE A 50 -13.479 -3.526 3.571 1.00 0.00 C ATOM 790 CZ PHE A 50 -13.667 -4.806 4.109 1.00 0.00 C ATOM 0 H PHE A 50 -13.102 -6.687 -1.056 1.00 0.00 H new ATOM 0 HA PHE A 50 -13.762 -3.806 -0.707 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -11.105 -5.120 0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.427 -3.397 0.115 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.368 -6.659 1.580 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.753 -2.402 1.882 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -13.414 -6.917 3.804 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.783 -2.653 4.129 1.00 0.00 H new ATOM 0 HZ PHE A 50 -14.121 -4.921 5.082 1.00 0.00 H new ATOM 800 N TYR A 51 -12.303 -3.192 -2.678 1.00 0.00 N ATOM 801 CA TYR A 51 -11.689 -2.873 -3.993 1.00 0.00 C ATOM 802 C TYR A 51 -10.697 -1.744 -3.698 1.00 0.00 C ATOM 803 O TYR A 51 -10.933 -0.937 -2.818 1.00 0.00 O ATOM 804 CB TYR A 51 -12.817 -2.467 -4.980 1.00 0.00 C ATOM 805 CG TYR A 51 -12.371 -1.469 -6.033 1.00 0.00 C ATOM 806 CD1 TYR A 51 -12.167 -0.134 -5.688 1.00 0.00 C ATOM 807 CD2 TYR A 51 -12.211 -1.875 -7.357 1.00 0.00 C ATOM 808 CE1 TYR A 51 -11.804 0.796 -6.653 1.00 0.00 C ATOM 809 CE2 TYR A 51 -11.834 -0.941 -8.334 1.00 0.00 C ATOM 810 CZ TYR A 51 -11.632 0.396 -7.980 1.00 0.00 C ATOM 811 OH TYR A 51 -11.281 1.320 -8.943 1.00 0.00 O ATOM 0 H TYR A 51 -12.664 -2.380 -2.177 1.00 0.00 H new ATOM 0 HA TYR A 51 -11.166 -3.706 -4.463 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -13.194 -3.361 -5.476 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -13.647 -2.041 -4.416 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -12.292 0.179 -4.662 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -12.377 -2.907 -7.630 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.655 1.829 -6.377 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.700 -1.255 -9.359 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.885 1.238 -9.711 1.00 0.00 H new ATOM 821 N ILE A 52 -9.582 -1.694 -4.373 1.00 0.00 N ATOM 822 CA ILE A 52 -8.586 -0.621 -4.057 1.00 0.00 C ATOM 823 C ILE A 52 -7.855 -0.193 -5.326 1.00 0.00 C ATOM 824 O ILE A 52 -7.039 -0.925 -5.852 1.00 0.00 O ATOM 825 CB ILE A 52 -7.565 -1.140 -3.029 1.00 0.00 C ATOM 826 CG1 ILE A 52 -8.277 -1.996 -1.958 1.00 0.00 C ATOM 827 CG2 ILE A 52 -6.880 0.059 -2.364 1.00 0.00 C ATOM 828 CD1 ILE A 52 -7.296 -2.402 -0.851 1.00 0.00 C ATOM 0 H ILE A 52 -9.316 -2.337 -5.119 1.00 0.00 H new ATOM 0 HA ILE A 52 -9.116 0.236 -3.641 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.823 -1.760 -3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -9.106 -1.434 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.701 -2.887 -2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.154 -0.296 -1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.370 0.654 -3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.628 0.674 -1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.817 -3.004 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.481 -2.983 -1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.892 -1.508 -0.376 1.00 0.00 H new ATOM 840 N LYS A 53 -8.140 0.989 -5.820 1.00 0.00 N ATOM 841 CA LYS A 53 -7.463 1.460 -7.061 1.00 0.00 C ATOM 842 C LYS A 53 -6.575 2.671 -6.771 1.00 0.00 C ATOM 843 O LYS A 53 -7.044 3.790 -6.685 1.00 0.00 O ATOM 844 CB LYS A 53 -8.511 1.835 -8.110 1.00 0.00 C ATOM 845 CG LYS A 53 -7.836 2.037 -9.477 1.00 0.00 C ATOM 846 CD LYS A 53 -8.170 3.428 -10.026 1.00 0.00 C ATOM 847 CE LYS A 53 -9.658 3.499 -10.369 1.00 0.00 C ATOM 848 NZ LYS A 53 -9.957 2.562 -11.489 1.00 0.00 N ATOM 0 H LYS A 53 -8.811 1.643 -5.416 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.836 0.652 -7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.265 1.051 -8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.027 2.748 -7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.756 1.926 -9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.173 1.271 -10.175 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.919 4.191 -9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.571 3.633 -10.914 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.256 3.240 -9.495 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.929 4.517 -10.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.521 3.053 -12.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.066 2.231 -11.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.492 1.747 -11.127 1.00 0.00 H new ATOM 983 N GLU A 62 -5.222 -2.271 -9.461 1.00 0.00 N ATOM 984 CA GLU A 62 -6.140 -2.189 -8.289 1.00 0.00 C ATOM 985 C GLU A 62 -6.526 -3.606 -7.849 1.00 0.00 C ATOM 986 O GLU A 62 -6.781 -4.465 -8.673 1.00 0.00 O ATOM 987 CB GLU A 62 -7.389 -1.371 -8.675 1.00 0.00 C ATOM 988 CG GLU A 62 -8.211 -2.077 -9.756 1.00 0.00 C ATOM 989 CD GLU A 62 -7.504 -1.964 -11.108 1.00 0.00 C ATOM 990 OE1 GLU A 62 -7.619 -0.919 -11.728 1.00 0.00 O ATOM 991 OE2 GLU A 62 -6.861 -2.923 -11.501 1.00 0.00 O ATOM 0 HA GLU A 62 -5.644 -1.690 -7.456 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.008 -1.212 -7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.085 -0.387 -9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.347 -3.126 -9.494 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.204 -1.633 -9.817 1.00 0.00 H new ATOM 998 N ILE A 63 -6.564 -3.864 -6.559 1.00 0.00 N ATOM 999 CA ILE A 63 -6.932 -5.236 -6.095 1.00 0.00 C ATOM 1000 C ILE A 63 -8.430 -5.325 -5.861 1.00 0.00 C ATOM 1001 O ILE A 63 -8.953 -4.811 -4.890 1.00 0.00 O ATOM 1002 CB ILE A 63 -6.196 -5.622 -4.805 1.00 0.00 C ATOM 1003 CG1 ILE A 63 -6.208 -4.475 -3.795 1.00 0.00 C ATOM 1004 CG2 ILE A 63 -4.756 -5.985 -5.136 1.00 0.00 C ATOM 1005 CD1 ILE A 63 -5.667 -4.992 -2.460 1.00 0.00 C ATOM 0 H ILE A 63 -6.359 -3.191 -5.820 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.634 -5.932 -6.879 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.709 -6.475 -4.361 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.597 -3.648 -4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.221 -4.092 -3.670 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.231 -6.260 -4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.743 -6.827 -5.829 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.261 -5.129 -5.595 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.670 -4.184 -1.729 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -6.297 -5.806 -2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.648 -5.355 -2.596 1.00 0.00 H new ATOM 1017 N ASN A 64 -9.117 -6.014 -6.730 1.00 0.00 N ATOM 1018 CA ASN A 64 -10.575 -6.196 -6.549 1.00 0.00 C ATOM 1019 C ASN A 64 -10.733 -7.533 -5.857 1.00 0.00 C ATOM 1020 O ASN A 64 -10.930 -8.558 -6.482 1.00 0.00 O ATOM 1021 CB ASN A 64 -11.298 -6.213 -7.901 1.00 0.00 C ATOM 1022 CG ASN A 64 -10.824 -5.047 -8.775 1.00 0.00 C ATOM 1023 OD1 ASN A 64 -10.438 -3.932 -8.215 1.00 0.00 O flip ATOM 1024 ND2 ASN A 64 -10.803 -5.153 -9.985 1.00 0.00 N flip ATOM 0 H ASN A 64 -8.725 -6.459 -7.560 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.008 -5.380 -5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.108 -7.158 -8.410 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -12.375 -6.145 -7.746 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.104 -6.022 -10.426 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.485 -4.373 -10.560 1.00 0.00 H new ATOM 1031 N PHE A 65 -10.572 -7.525 -4.572 1.00 0.00 N ATOM 1032 CA PHE A 65 -10.622 -8.788 -3.801 1.00 0.00 C ATOM 1033 C PHE A 65 -11.688 -8.707 -2.704 1.00 0.00 C ATOM 1034 O PHE A 65 -12.542 -7.849 -2.704 1.00 0.00 O ATOM 1035 CB PHE A 65 -9.226 -8.981 -3.161 1.00 0.00 C ATOM 1036 CG PHE A 65 -9.012 -7.936 -2.068 1.00 0.00 C ATOM 1037 CD1 PHE A 65 -8.611 -6.633 -2.402 1.00 0.00 C ATOM 1038 CD2 PHE A 65 -9.263 -8.260 -0.724 1.00 0.00 C ATOM 1039 CE1 PHE A 65 -8.459 -5.669 -1.412 1.00 0.00 C ATOM 1040 CE2 PHE A 65 -9.116 -7.287 0.268 1.00 0.00 C ATOM 1041 CZ PHE A 65 -8.715 -5.991 -0.074 1.00 0.00 C ATOM 0 H PHE A 65 -10.406 -6.687 -4.015 1.00 0.00 H new ATOM 0 HA PHE A 65 -10.878 -9.624 -4.452 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.143 -9.983 -2.741 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.451 -8.890 -3.922 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -8.419 -6.378 -3.434 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.569 -9.261 -0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.143 -4.670 -1.675 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.312 -7.536 1.300 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.603 -5.240 0.694 1.00 0.00 H new ATOM 1051 N LYS A 66 -11.578 -9.584 -1.753 1.00 0.00 N ATOM 1052 CA LYS A 66 -12.483 -9.602 -0.588 1.00 0.00 C ATOM 1053 C LYS A 66 -11.648 -10.166 0.551 1.00 0.00 C ATOM 1054 O LYS A 66 -11.079 -11.234 0.430 1.00 0.00 O ATOM 1055 CB LYS A 66 -13.708 -10.478 -0.855 1.00 0.00 C ATOM 1056 CG LYS A 66 -13.288 -11.802 -1.499 1.00 0.00 C ATOM 1057 CD LYS A 66 -13.537 -11.744 -3.008 1.00 0.00 C ATOM 1058 CE LYS A 66 -15.013 -12.029 -3.294 1.00 0.00 C ATOM 1059 NZ LYS A 66 -15.408 -11.367 -4.569 1.00 0.00 N ATOM 0 H LYS A 66 -10.868 -10.316 -1.740 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.869 -8.609 -0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.235 -10.672 0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -14.403 -9.952 -1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.233 -11.995 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.850 -12.626 -1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.264 -10.762 -3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.909 -12.474 -3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.180 -13.104 -3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.631 -11.662 -2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.411 -11.560 -4.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.263 -10.340 -4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.826 -11.738 -5.347 1.00 0.00 H new ATOM 1073 N VAL A 67 -11.511 -9.431 1.625 1.00 0.00 N ATOM 1074 CA VAL A 67 -10.647 -9.883 2.763 1.00 0.00 C ATOM 1075 C VAL A 67 -10.893 -11.364 3.087 1.00 0.00 C ATOM 1076 O VAL A 67 -11.993 -11.869 2.972 1.00 0.00 O ATOM 1077 CB VAL A 67 -10.910 -9.009 3.987 1.00 0.00 C ATOM 1078 CG1 VAL A 67 -10.007 -9.463 5.135 1.00 0.00 C ATOM 1079 CG2 VAL A 67 -10.575 -7.555 3.650 1.00 0.00 C ATOM 0 H VAL A 67 -11.964 -8.528 1.765 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.602 -9.779 2.472 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.957 -9.096 4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.192 -8.841 6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.222 -10.504 5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.963 -9.368 4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.761 -6.927 4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.525 -7.480 3.366 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.199 -7.220 2.822 1.00 0.00 H new ATOM 1089 N GLY A 68 -9.847 -12.057 3.439 1.00 0.00 N ATOM 1090 CA GLY A 68 -9.959 -13.513 3.717 1.00 0.00 C ATOM 1091 C GLY A 68 -9.505 -14.286 2.468 1.00 0.00 C ATOM 1092 O GLY A 68 -9.781 -15.462 2.324 1.00 0.00 O ATOM 0 H GLY A 68 -8.909 -11.671 3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.342 -13.783 4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -10.987 -13.772 3.970 1.00 0.00 H new ATOM 1096 N GLU A 69 -8.809 -13.628 1.559 1.00 0.00 N ATOM 1097 CA GLU A 69 -8.339 -14.311 0.323 1.00 0.00 C ATOM 1098 C GLU A 69 -6.996 -13.714 -0.110 1.00 0.00 C ATOM 1099 O GLU A 69 -6.528 -12.736 0.449 1.00 0.00 O ATOM 1100 CB GLU A 69 -9.369 -14.118 -0.793 1.00 0.00 C ATOM 1101 CG GLU A 69 -10.624 -14.938 -0.482 1.00 0.00 C ATOM 1102 CD GLU A 69 -10.284 -16.430 -0.513 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -9.554 -16.833 -1.403 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -10.760 -17.143 0.355 1.00 0.00 O ATOM 0 H GLU A 69 -8.551 -12.644 1.630 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.217 -15.376 0.521 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.626 -13.063 -0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.947 -14.429 -1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.016 -14.664 0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.404 -14.717 -1.210 1.00 0.00 H new ATOM 1111 N GLU A 70 -6.366 -14.310 -1.091 1.00 0.00 N ATOM 1112 CA GLU A 70 -5.039 -13.805 -1.559 1.00 0.00 C ATOM 1113 C GLU A 70 -5.093 -13.352 -3.013 1.00 0.00 C ATOM 1114 O GLU A 70 -5.999 -13.679 -3.755 1.00 0.00 O ATOM 1115 CB GLU A 70 -4.001 -14.930 -1.487 1.00 0.00 C ATOM 1116 CG GLU A 70 -4.575 -16.218 -2.087 1.00 0.00 C ATOM 1117 CD GLU A 70 -5.068 -17.135 -0.965 1.00 0.00 C ATOM 1118 OE1 GLU A 70 -5.860 -16.679 -0.158 1.00 0.00 O ATOM 1119 OE2 GLU A 70 -4.644 -18.279 -0.933 1.00 0.00 O ATOM 0 H GLU A 70 -6.715 -15.128 -1.590 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.773 -12.966 -0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.100 -14.639 -2.027 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.710 -15.101 -0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.396 -15.981 -2.763 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.813 -16.727 -2.677 1.00 0.00 H new ATOM 1126 N PHE A 71 -4.068 -12.657 -3.430 1.00 0.00 N ATOM 1127 CA PHE A 71 -3.962 -12.228 -4.850 1.00 0.00 C ATOM 1128 C PHE A 71 -2.639 -12.775 -5.363 1.00 0.00 C ATOM 1129 O PHE A 71 -1.949 -13.490 -4.666 1.00 0.00 O ATOM 1130 CB PHE A 71 -3.941 -10.691 -5.032 1.00 0.00 C ATOM 1131 CG PHE A 71 -4.619 -9.940 -3.906 1.00 0.00 C ATOM 1132 CD1 PHE A 71 -5.824 -10.389 -3.355 1.00 0.00 C ATOM 1133 CD2 PHE A 71 -4.038 -8.753 -3.441 1.00 0.00 C ATOM 1134 CE1 PHE A 71 -6.438 -9.648 -2.334 1.00 0.00 C ATOM 1135 CE2 PHE A 71 -4.659 -8.015 -2.431 1.00 0.00 C ATOM 1136 CZ PHE A 71 -5.852 -8.461 -1.879 1.00 0.00 C ATOM 0 H PHE A 71 -3.291 -12.366 -2.837 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.835 -12.599 -5.387 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.907 -10.356 -5.110 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -4.430 -10.438 -5.973 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -6.279 -11.301 -3.713 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.107 -8.408 -3.865 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -7.364 -9.994 -1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.211 -7.097 -2.079 1.00 0.00 H new ATOM 0 HZ PHE A 71 -6.329 -7.890 -1.096 1.00 0.00 H new ATOM 1146 N GLU A 72 -2.268 -12.422 -6.554 1.00 0.00 N ATOM 1147 CA GLU A 72 -0.966 -12.892 -7.099 1.00 0.00 C ATOM 1148 C GLU A 72 -0.137 -11.682 -7.495 1.00 0.00 C ATOM 1149 O GLU A 72 -0.661 -10.603 -7.704 1.00 0.00 O ATOM 1150 CB GLU A 72 -1.181 -13.770 -8.322 1.00 0.00 C ATOM 1151 CG GLU A 72 -2.134 -14.905 -7.965 1.00 0.00 C ATOM 1152 CD GLU A 72 -2.747 -15.485 -9.241 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -3.245 -14.710 -10.041 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -2.706 -16.694 -9.397 1.00 0.00 O ATOM 0 H GLU A 72 -2.810 -11.826 -7.179 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.452 -13.476 -6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.591 -13.179 -9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.229 -14.174 -8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.600 -15.684 -7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.921 -14.538 -7.306 1.00 0.00 H new ATOM 1161 N GLU A 73 1.149 -11.852 -7.595 1.00 0.00 N ATOM 1162 CA GLU A 73 2.018 -10.698 -7.978 1.00 0.00 C ATOM 1163 C GLU A 73 3.440 -11.164 -8.294 1.00 0.00 C ATOM 1164 O GLU A 73 3.747 -12.338 -8.272 1.00 0.00 O ATOM 1165 CB GLU A 73 2.055 -9.694 -6.820 1.00 0.00 C ATOM 1166 CG GLU A 73 2.004 -8.267 -7.371 1.00 0.00 C ATOM 1167 CD GLU A 73 1.309 -7.354 -6.359 1.00 0.00 C ATOM 1168 OE1 GLU A 73 0.150 -7.600 -6.068 1.00 0.00 O ATOM 1169 OE2 GLU A 73 1.948 -6.425 -5.892 1.00 0.00 O ATOM 0 H GLU A 73 1.638 -12.732 -7.430 1.00 0.00 H new ATOM 0 HA GLU A 73 1.605 -10.230 -8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.212 -9.866 -6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.962 -9.835 -6.233 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.013 -7.906 -7.569 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.468 -8.251 -8.320 1.00 0.00 H new ATOM 1280 N CYS A 81 5.559 -13.775 -6.336 1.00 0.00 N ATOM 1281 CA CYS A 81 5.103 -13.354 -4.979 1.00 0.00 C ATOM 1282 C CYS A 81 3.607 -13.068 -4.993 1.00 0.00 C ATOM 1283 O CYS A 81 3.092 -12.416 -5.879 1.00 0.00 O ATOM 1284 CB CYS A 81 5.862 -12.091 -4.543 1.00 0.00 C ATOM 1285 SG CYS A 81 5.608 -10.762 -5.746 1.00 0.00 S ATOM 0 HA CYS A 81 5.306 -14.161 -4.275 1.00 0.00 H new ATOM 0 HB2 CYS A 81 5.517 -11.772 -3.560 1.00 0.00 H new ATOM 0 HB3 CYS A 81 6.926 -12.310 -4.452 1.00 0.00 H new ATOM 0 HG CYS A 81 6.254 -9.701 -5.363 1.00 0.00 H new ATOM 1291 N LYS A 82 2.920 -13.546 -4.001 1.00 0.00 N ATOM 1292 CA LYS A 82 1.456 -13.319 -3.907 1.00 0.00 C ATOM 1293 C LYS A 82 1.166 -12.443 -2.694 1.00 0.00 C ATOM 1294 O LYS A 82 2.067 -11.945 -2.044 1.00 0.00 O ATOM 1295 CB LYS A 82 0.751 -14.661 -3.752 1.00 0.00 C ATOM 1296 CG LYS A 82 1.288 -15.409 -2.518 1.00 0.00 C ATOM 1297 CD LYS A 82 0.650 -16.811 -2.403 1.00 0.00 C ATOM 1298 CE LYS A 82 -0.839 -16.775 -2.779 1.00 0.00 C ATOM 1299 NZ LYS A 82 -1.565 -17.867 -2.070 1.00 0.00 N ATOM 0 H LYS A 82 3.317 -14.094 -3.238 1.00 0.00 H new ATOM 0 HA LYS A 82 1.096 -12.823 -4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -0.323 -14.505 -3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.904 -15.265 -4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.372 -15.503 -2.588 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.075 -14.833 -1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.176 -17.508 -3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.762 -17.182 -1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.267 -15.809 -2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.954 -16.889 -3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.298 -18.259 -2.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.894 -18.618 -1.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.010 -17.487 -1.210 1.00 0.00 H new ATOM 1313 N SER A 83 -0.085 -12.249 -2.394 1.00 0.00 N ATOM 1314 CA SER A 83 -0.454 -11.398 -1.227 1.00 0.00 C ATOM 1315 C SER A 83 -1.667 -11.971 -0.511 1.00 0.00 C ATOM 1316 O SER A 83 -2.237 -12.951 -0.932 1.00 0.00 O ATOM 1317 CB SER A 83 -0.794 -9.997 -1.724 1.00 0.00 C ATOM 1318 OG SER A 83 -1.774 -10.098 -2.754 1.00 0.00 O ATOM 0 H SER A 83 -0.873 -12.644 -2.908 1.00 0.00 H new ATOM 0 HA SER A 83 0.386 -11.367 -0.534 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.171 -9.387 -0.903 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.101 -9.504 -2.102 1.00 0.00 H new ATOM 0 HG SER A 83 -2.556 -9.557 -2.516 1.00 0.00 H new ATOM 1324 N LEU A 84 -2.068 -11.350 0.567 1.00 0.00 N ATOM 1325 CA LEU A 84 -3.267 -11.846 1.310 1.00 0.00 C ATOM 1326 C LEU A 84 -3.722 -10.808 2.331 1.00 0.00 C ATOM 1327 O LEU A 84 -3.000 -10.468 3.244 1.00 0.00 O ATOM 1328 CB LEU A 84 -2.932 -13.159 2.011 1.00 0.00 C ATOM 1329 CG LEU A 84 -4.104 -14.125 1.847 1.00 0.00 C ATOM 1330 CD1 LEU A 84 -3.599 -15.560 1.951 1.00 0.00 C ATOM 1331 CD2 LEU A 84 -5.141 -13.861 2.937 1.00 0.00 C ATOM 0 H LEU A 84 -1.620 -10.524 0.965 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.078 -12.016 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.026 -13.591 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.736 -12.982 3.068 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.565 -13.976 0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.435 -16.249 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.864 -15.745 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.136 -15.713 2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.977 -14.551 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.685 -14.008 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.502 -12.836 2.855 1.00 0.00 H new ATOM 1343 N VAL A 85 -4.921 -10.303 2.170 1.00 0.00 N ATOM 1344 CA VAL A 85 -5.444 -9.265 3.109 1.00 0.00 C ATOM 1345 C VAL A 85 -6.201 -9.914 4.280 1.00 0.00 C ATOM 1346 O VAL A 85 -6.871 -10.916 4.133 1.00 0.00 O ATOM 1347 CB VAL A 85 -6.373 -8.316 2.326 1.00 0.00 C ATOM 1348 CG1 VAL A 85 -7.113 -7.361 3.278 1.00 0.00 C ATOM 1349 CG2 VAL A 85 -5.533 -7.492 1.348 1.00 0.00 C ATOM 0 H VAL A 85 -5.563 -10.568 1.423 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.610 -8.704 3.529 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.110 -8.914 1.790 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.762 -6.702 2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.715 -7.940 3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.388 -6.763 3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.182 -6.818 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.796 -6.910 1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.022 -8.160 0.655 1.00 0.00 H new ATOM 1359 N LYS A 86 -6.099 -9.310 5.439 1.00 0.00 N ATOM 1360 CA LYS A 86 -6.802 -9.821 6.647 1.00 0.00 C ATOM 1361 C LYS A 86 -7.148 -8.633 7.554 1.00 0.00 C ATOM 1362 O LYS A 86 -7.177 -7.501 7.119 1.00 0.00 O ATOM 1363 CB LYS A 86 -5.887 -10.798 7.390 1.00 0.00 C ATOM 1364 CG LYS A 86 -6.691 -12.007 7.884 1.00 0.00 C ATOM 1365 CD LYS A 86 -7.309 -12.758 6.695 1.00 0.00 C ATOM 1366 CE LYS A 86 -8.824 -12.512 6.645 1.00 0.00 C ATOM 1367 NZ LYS A 86 -9.543 -13.793 6.897 1.00 0.00 N ATOM 0 H LYS A 86 -5.546 -8.468 5.597 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.716 -10.340 6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.086 -11.130 6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.416 -10.295 8.235 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.043 -12.677 8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.477 -11.677 8.563 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.848 -12.425 5.765 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.109 -13.826 6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.108 -11.770 7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.106 -12.109 5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.512 -13.726 6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.042 -14.571 6.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.577 -13.976 7.920 1.00 0.00 H new ATOM 1381 N TRP A 87 -7.423 -8.891 8.803 1.00 0.00 N ATOM 1382 CA TRP A 87 -7.781 -7.793 9.753 1.00 0.00 C ATOM 1383 C TRP A 87 -6.894 -7.832 10.992 1.00 0.00 C ATOM 1384 O TRP A 87 -6.045 -8.688 11.150 1.00 0.00 O ATOM 1385 CB TRP A 87 -9.214 -7.981 10.212 1.00 0.00 C ATOM 1386 CG TRP A 87 -10.097 -7.898 9.041 1.00 0.00 C ATOM 1387 CD1 TRP A 87 -10.584 -8.955 8.379 1.00 0.00 C ATOM 1388 CD2 TRP A 87 -10.587 -6.714 8.366 1.00 0.00 C ATOM 1389 NE1 TRP A 87 -11.385 -8.501 7.362 1.00 0.00 N ATOM 1390 CE2 TRP A 87 -11.409 -7.125 7.303 1.00 0.00 C ATOM 1391 CE3 TRP A 87 -10.408 -5.338 8.576 1.00 0.00 C ATOM 1392 CZ2 TRP A 87 -12.036 -6.207 6.473 1.00 0.00 C ATOM 1393 CZ3 TRP A 87 -11.034 -4.407 7.737 1.00 0.00 C ATOM 1394 CH2 TRP A 87 -11.848 -4.842 6.686 1.00 0.00 C ATOM 0 H TRP A 87 -7.416 -9.825 9.213 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.648 -6.842 9.236 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -9.330 -8.946 10.705 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -9.481 -7.216 10.942 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -10.380 -9.991 8.607 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -11.901 -9.109 6.726 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -9.785 -4.995 9.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -12.667 -6.548 5.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -10.888 -3.350 7.902 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -12.330 -4.122 6.041 1.00 0.00 H new ATOM 1405 N GLU A 88 -7.126 -6.911 11.881 1.00 0.00 N ATOM 1406 CA GLU A 88 -6.354 -6.854 13.154 1.00 0.00 C ATOM 1407 C GLU A 88 -7.346 -6.630 14.288 1.00 0.00 C ATOM 1408 O GLU A 88 -7.371 -7.343 15.273 1.00 0.00 O ATOM 1409 CB GLU A 88 -5.376 -5.681 13.136 1.00 0.00 C ATOM 1410 CG GLU A 88 -4.605 -5.635 11.816 1.00 0.00 C ATOM 1411 CD GLU A 88 -3.408 -6.584 11.893 1.00 0.00 C ATOM 1412 OE1 GLU A 88 -2.366 -6.155 12.360 1.00 0.00 O ATOM 1413 OE2 GLU A 88 -3.554 -7.724 11.485 1.00 0.00 O ATOM 0 H GLU A 88 -7.831 -6.181 11.779 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.795 -7.781 13.283 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.919 -4.747 13.277 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.677 -5.772 13.967 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.257 -5.921 10.991 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.265 -4.619 11.616 1.00 0.00 H new ATOM 1420 N SER A 89 -8.163 -5.626 14.137 1.00 0.00 N ATOM 1421 CA SER A 89 -9.177 -5.297 15.168 1.00 0.00 C ATOM 1422 C SER A 89 -10.563 -5.310 14.525 1.00 0.00 C ATOM 1423 O SER A 89 -11.480 -5.953 14.993 1.00 0.00 O ATOM 1424 CB SER A 89 -8.891 -3.893 15.701 1.00 0.00 C ATOM 1425 OG SER A 89 -8.689 -3.011 14.597 1.00 0.00 O ATOM 0 H SER A 89 -8.168 -5.009 13.325 1.00 0.00 H new ATOM 0 HA SER A 89 -9.139 -6.024 15.979 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.723 -3.546 16.313 1.00 0.00 H new ATOM 0 HB3 SER A 89 -8.008 -3.905 16.340 1.00 0.00 H new ATOM 0 HG SER A 89 -8.507 -2.107 14.929 1.00 0.00 H new ATOM 1431 N GLU A 90 -10.698 -4.588 13.447 1.00 0.00 N ATOM 1432 CA GLU A 90 -11.993 -4.489 12.705 1.00 0.00 C ATOM 1433 C GLU A 90 -11.857 -3.343 11.706 1.00 0.00 C ATOM 1434 O GLU A 90 -12.343 -3.403 10.595 1.00 0.00 O ATOM 1435 CB GLU A 90 -13.163 -4.193 13.657 1.00 0.00 C ATOM 1436 CG GLU A 90 -12.821 -2.991 14.545 1.00 0.00 C ATOM 1437 CD GLU A 90 -13.399 -3.207 15.946 1.00 0.00 C ATOM 1438 OE1 GLU A 90 -13.010 -4.173 16.582 1.00 0.00 O ATOM 1439 OE2 GLU A 90 -14.219 -2.404 16.357 1.00 0.00 O ATOM 0 H GLU A 90 -9.940 -4.044 13.035 1.00 0.00 H new ATOM 0 HA GLU A 90 -12.202 -5.436 12.207 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.067 -3.987 13.084 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.370 -5.066 14.276 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -11.740 -2.864 14.602 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -13.227 -2.078 14.110 1.00 0.00 H new ATOM 1446 N ASN A 91 -11.159 -2.312 12.100 1.00 0.00 N ATOM 1447 CA ASN A 91 -10.924 -1.151 11.198 1.00 0.00 C ATOM 1448 C ASN A 91 -9.443 -1.116 10.806 1.00 0.00 C ATOM 1449 O ASN A 91 -9.004 -0.202 10.134 1.00 0.00 O ATOM 1450 CB ASN A 91 -11.284 0.142 11.921 1.00 0.00 C ATOM 1451 CG ASN A 91 -12.755 0.121 12.345 1.00 0.00 C ATOM 1452 OD1 ASN A 91 -13.420 -0.893 12.252 1.00 0.00 O ATOM 1453 ND2 ASN A 91 -13.297 1.215 12.806 1.00 0.00 N ATOM 0 H ASN A 91 -10.736 -2.225 13.024 1.00 0.00 H new ATOM 0 HA ASN A 91 -11.543 -1.250 10.306 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -10.648 0.266 12.797 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.098 0.995 11.269 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -14.277 1.219 13.088 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.740 2.066 12.885 1.00 0.00 H new ATOM 1460 N LYS A 92 -8.664 -2.102 11.215 1.00 0.00 N ATOM 1461 CA LYS A 92 -7.233 -2.119 10.845 1.00 0.00 C ATOM 1462 C LYS A 92 -6.941 -3.437 10.132 1.00 0.00 C ATOM 1463 O LYS A 92 -6.915 -4.485 10.744 1.00 0.00 O ATOM 1464 CB LYS A 92 -6.376 -2.023 12.106 1.00 0.00 C ATOM 1465 CG LYS A 92 -5.129 -1.199 11.807 1.00 0.00 C ATOM 1466 CD LYS A 92 -4.281 -1.893 10.732 1.00 0.00 C ATOM 1467 CE LYS A 92 -2.796 -1.765 11.082 1.00 0.00 C ATOM 1468 NZ LYS A 92 -2.540 -2.381 12.416 1.00 0.00 N ATOM 0 H LYS A 92 -8.973 -2.887 11.788 1.00 0.00 H new ATOM 0 HA LYS A 92 -7.002 -1.276 10.194 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.946 -1.562 12.912 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.094 -3.020 12.445 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.415 -0.203 11.468 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.542 -1.070 12.717 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.558 -2.945 10.660 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.475 -1.445 9.757 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.189 -2.256 10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.504 -0.715 11.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.694 -2.984 12.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.388 -1.632 13.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.359 -2.958 12.695 1.00 0.00 H new ATOM 1482 N MET A 93 -6.736 -3.393 8.845 1.00 0.00 N ATOM 1483 CA MET A 93 -6.461 -4.638 8.084 1.00 0.00 C ATOM 1484 C MET A 93 -5.032 -4.657 7.577 1.00 0.00 C ATOM 1485 O MET A 93 -4.360 -3.648 7.491 1.00 0.00 O ATOM 1486 CB MET A 93 -7.408 -4.795 6.885 1.00 0.00 C ATOM 1487 CG MET A 93 -7.756 -3.440 6.255 1.00 0.00 C ATOM 1488 SD MET A 93 -7.927 -3.626 4.462 1.00 0.00 S ATOM 1489 CE MET A 93 -9.142 -4.963 4.501 1.00 0.00 C ATOM 0 H MET A 93 -6.748 -2.540 8.286 1.00 0.00 H new ATOM 0 HA MET A 93 -6.622 -5.467 8.774 1.00 0.00 H new ATOM 0 HB2 MET A 93 -6.943 -5.436 6.136 1.00 0.00 H new ATOM 0 HB3 MET A 93 -8.323 -5.292 7.207 1.00 0.00 H new ATOM 0 HG2 MET A 93 -8.684 -3.058 6.681 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.977 -2.712 6.482 1.00 0.00 H new ATOM 0 HE1 MET A 93 -9.495 -5.164 3.489 1.00 0.00 H new ATOM 0 HE2 MET A 93 -8.681 -5.862 4.910 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.985 -4.671 5.128 1.00 0.00 H new ATOM 1499 N VAL A 94 -4.579 -5.826 7.247 1.00 0.00 N ATOM 1500 CA VAL A 94 -3.194 -6.003 6.738 1.00 0.00 C ATOM 1501 C VAL A 94 -3.237 -6.619 5.349 1.00 0.00 C ATOM 1502 O VAL A 94 -4.286 -6.848 4.780 1.00 0.00 O ATOM 1503 CB VAL A 94 -2.428 -6.958 7.657 1.00 0.00 C ATOM 1504 CG1 VAL A 94 -2.016 -6.237 8.934 1.00 0.00 C ATOM 1505 CG2 VAL A 94 -3.327 -8.140 8.003 1.00 0.00 C ATOM 0 H VAL A 94 -5.121 -6.688 7.309 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.703 -5.031 6.707 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.531 -7.311 7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.472 -6.925 9.581 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.376 -5.391 8.684 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.905 -5.878 9.452 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.790 -8.826 8.658 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.222 -7.780 8.510 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.613 -8.660 7.088 1.00 0.00 H new ATOM 1515 N CYS A 95 -2.090 -6.906 4.822 1.00 0.00 N ATOM 1516 CA CYS A 95 -1.996 -7.539 3.487 1.00 0.00 C ATOM 1517 C CYS A 95 -0.589 -8.087 3.350 1.00 0.00 C ATOM 1518 O CYS A 95 0.250 -7.509 2.690 1.00 0.00 O ATOM 1519 CB CYS A 95 -2.267 -6.513 2.398 1.00 0.00 C ATOM 1520 SG CYS A 95 -2.344 -7.348 0.793 1.00 0.00 S ATOM 0 H CYS A 95 -1.192 -6.724 5.270 1.00 0.00 H new ATOM 0 HA CYS A 95 -2.733 -8.335 3.385 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -3.205 -5.995 2.596 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.481 -5.758 2.390 1.00 0.00 H new ATOM 0 HG CYS A 95 -2.466 -6.463 -0.151 1.00 0.00 H new ATOM 1526 N GLU A 96 -0.315 -9.180 4.008 1.00 0.00 N ATOM 1527 CA GLU A 96 1.059 -9.743 3.963 1.00 0.00 C ATOM 1528 C GLU A 96 1.392 -10.259 2.564 1.00 0.00 C ATOM 1529 O GLU A 96 0.842 -11.241 2.103 1.00 0.00 O ATOM 1530 CB GLU A 96 1.195 -10.886 4.966 1.00 0.00 C ATOM 1531 CG GLU A 96 2.668 -11.290 5.053 1.00 0.00 C ATOM 1532 CD GLU A 96 2.804 -12.569 5.880 1.00 0.00 C ATOM 1533 OE1 GLU A 96 2.384 -12.558 7.026 1.00 0.00 O ATOM 1534 OE2 GLU A 96 3.326 -13.539 5.355 1.00 0.00 O ATOM 0 H GLU A 96 -0.983 -9.705 4.573 1.00 0.00 H new ATOM 0 HA GLU A 96 1.756 -8.945 4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 96 0.830 -10.575 5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.588 -11.736 4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.071 -11.448 4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.249 -10.488 5.508 1.00 0.00 H new ATOM 1541 N GLN A 97 2.309 -9.607 1.903 1.00 0.00 N ATOM 1542 CA GLN A 97 2.722 -10.043 0.550 1.00 0.00 C ATOM 1543 C GLN A 97 4.054 -10.793 0.663 1.00 0.00 C ATOM 1544 O GLN A 97 5.012 -10.274 1.206 1.00 0.00 O ATOM 1545 CB GLN A 97 2.903 -8.809 -0.331 1.00 0.00 C ATOM 1546 CG GLN A 97 1.580 -8.047 -0.432 1.00 0.00 C ATOM 1547 CD GLN A 97 1.435 -7.429 -1.829 1.00 0.00 C ATOM 1548 OE1 GLN A 97 2.281 -7.607 -2.684 1.00 0.00 O ATOM 1549 NE2 GLN A 97 0.386 -6.700 -2.097 1.00 0.00 N ATOM 0 H GLN A 97 2.793 -8.780 2.253 1.00 0.00 H new ATOM 0 HA GLN A 97 1.967 -10.696 0.112 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.675 -8.163 0.087 1.00 0.00 H new ATOM 0 HB3 GLN A 97 3.239 -9.106 -1.324 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.747 -8.721 -0.236 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.543 -7.265 0.326 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.326 -6.548 -1.382 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.278 -6.282 -3.021 1.00 0.00 H new ATOM 1558 N LYS A 98 4.124 -12.009 0.176 1.00 0.00 N ATOM 1559 CA LYS A 98 5.407 -12.779 0.283 1.00 0.00 C ATOM 1560 C LYS A 98 5.841 -13.287 -1.096 1.00 0.00 C ATOM 1561 O LYS A 98 5.056 -13.330 -2.024 1.00 0.00 O ATOM 1562 CB LYS A 98 5.209 -13.969 1.225 1.00 0.00 C ATOM 1563 CG LYS A 98 3.988 -14.779 0.781 1.00 0.00 C ATOM 1564 CD LYS A 98 4.176 -16.244 1.175 1.00 0.00 C ATOM 1565 CE LYS A 98 3.805 -16.430 2.648 1.00 0.00 C ATOM 1566 NZ LYS A 98 3.198 -17.777 2.842 1.00 0.00 N ATOM 0 H LYS A 98 3.358 -12.499 -0.286 1.00 0.00 H new ATOM 0 HA LYS A 98 6.182 -12.121 0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.098 -14.600 1.221 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.072 -13.617 2.248 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.086 -14.380 1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.856 -14.696 -0.298 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.553 -16.883 0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.210 -16.546 1.009 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.692 -16.326 3.273 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.104 -15.655 2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.946 -17.903 3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.343 -17.860 2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.881 -18.509 2.562 1.00 0.00 H new ATOM 1580 N LEU A 99 7.088 -13.686 -1.231 1.00 0.00 N ATOM 1581 CA LEU A 99 7.569 -14.210 -2.554 1.00 0.00 C ATOM 1582 C LEU A 99 7.611 -15.736 -2.521 1.00 0.00 C ATOM 1583 O LEU A 99 8.461 -16.359 -3.125 1.00 0.00 O ATOM 1584 CB LEU A 99 8.953 -13.652 -2.959 1.00 0.00 C ATOM 1585 CG LEU A 99 9.795 -13.281 -1.740 1.00 0.00 C ATOM 1586 CD1 LEU A 99 11.275 -13.515 -2.051 1.00 0.00 C ATOM 1587 CD2 LEU A 99 9.578 -11.802 -1.408 1.00 0.00 C ATOM 0 H LEU A 99 7.788 -13.672 -0.489 1.00 0.00 H new ATOM 0 HA LEU A 99 6.860 -13.869 -3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.484 -14.394 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 99 8.820 -12.773 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 99 9.499 -13.898 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 99 11.876 -13.250 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.434 -14.565 -2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 99 11.571 -12.896 -2.898 1.00 0.00 H new ATOM 0 HD21 LEU A 99 10.177 -11.533 -0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.878 -11.190 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.524 -11.629 -1.190 1.00 0.00 H new ATOM 1599 N LEU A 100 6.671 -16.338 -1.837 1.00 0.00 N ATOM 1600 CA LEU A 100 6.601 -17.830 -1.767 1.00 0.00 C ATOM 1601 C LEU A 100 7.875 -18.430 -1.157 1.00 0.00 C ATOM 1602 O LEU A 100 8.119 -19.616 -1.278 1.00 0.00 O ATOM 1603 CB LEU A 100 6.414 -18.387 -3.173 1.00 0.00 C ATOM 1604 CG LEU A 100 5.155 -17.780 -3.796 1.00 0.00 C ATOM 1605 CD1 LEU A 100 5.134 -18.066 -5.299 1.00 0.00 C ATOM 1606 CD2 LEU A 100 3.916 -18.394 -3.139 1.00 0.00 C ATOM 0 H LEU A 100 5.940 -15.853 -1.317 1.00 0.00 H new ATOM 0 HA LEU A 100 5.759 -18.099 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.285 -18.156 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.328 -19.473 -3.138 1.00 0.00 H new ATOM 0 HG LEU A 100 5.155 -16.702 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.236 -17.632 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.016 -17.626 -5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.135 -19.143 -5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.018 -17.963 -3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.917 -19.472 -3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.930 -18.185 -2.069 1.00 0.00 H new ATOM 1618 N LYS A 101 8.678 -17.636 -0.501 1.00 0.00 N ATOM 1619 CA LYS A 101 9.928 -18.174 0.122 1.00 0.00 C ATOM 1620 C LYS A 101 10.663 -17.052 0.856 1.00 0.00 C ATOM 1621 O LYS A 101 11.226 -17.259 1.914 1.00 0.00 O ATOM 1622 CB LYS A 101 10.841 -18.769 -0.959 1.00 0.00 C ATOM 1623 CG LYS A 101 11.101 -17.733 -2.057 1.00 0.00 C ATOM 1624 CD LYS A 101 12.446 -17.042 -1.810 1.00 0.00 C ATOM 1625 CE LYS A 101 13.586 -17.996 -2.169 1.00 0.00 C ATOM 1626 NZ LYS A 101 14.795 -17.205 -2.537 1.00 0.00 N ATOM 0 H LYS A 101 8.524 -16.636 -0.368 1.00 0.00 H new ATOM 0 HA LYS A 101 9.661 -18.957 0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.785 -19.085 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.378 -19.657 -1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.104 -18.217 -3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.299 -16.995 -2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.515 -16.134 -2.409 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.525 -16.741 -0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.808 -18.649 -1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.291 -18.637 -2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.572 -17.852 -2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.578 -16.600 -3.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.080 -16.611 -1.732 1.00 0.00 H new ATOM 1640 N GLY A 102 10.658 -15.868 0.303 1.00 0.00 N ATOM 1641 CA GLY A 102 11.352 -14.723 0.959 1.00 0.00 C ATOM 1642 C GLY A 102 12.859 -14.976 0.992 1.00 0.00 C ATOM 1643 O GLY A 102 13.313 -16.069 1.274 1.00 0.00 O ATOM 0 H GLY A 102 10.200 -15.644 -0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 102 11.141 -13.801 0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.975 -14.591 1.973 1.00 0.00 H new ATOM 1647 N GLU A 103 13.633 -13.960 0.720 1.00 0.00 N ATOM 1648 CA GLU A 103 15.116 -14.105 0.747 1.00 0.00 C ATOM 1649 C GLU A 103 15.660 -13.299 1.926 1.00 0.00 C ATOM 1650 O GLU A 103 16.576 -13.714 2.610 1.00 0.00 O ATOM 1651 CB GLU A 103 15.722 -13.590 -0.565 1.00 0.00 C ATOM 1652 CG GLU A 103 15.179 -12.194 -0.883 1.00 0.00 C ATOM 1653 CD GLU A 103 15.864 -11.658 -2.141 1.00 0.00 C ATOM 1654 OE1 GLU A 103 17.080 -11.732 -2.207 1.00 0.00 O ATOM 1655 OE2 GLU A 103 15.162 -11.182 -3.018 1.00 0.00 O ATOM 0 H GLU A 103 13.297 -13.028 0.478 1.00 0.00 H new ATOM 0 HA GLU A 103 15.383 -15.156 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 103 16.808 -13.556 -0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.484 -14.275 -1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.100 -12.237 -1.033 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.358 -11.522 -0.044 1.00 0.00 H new ATOM 1662 N GLY A 104 15.079 -12.157 2.173 1.00 0.00 N ATOM 1663 CA GLY A 104 15.514 -11.305 3.311 1.00 0.00 C ATOM 1664 C GLY A 104 14.284 -10.549 3.839 1.00 0.00 C ATOM 1665 O GLY A 104 13.621 -11.028 4.737 1.00 0.00 O ATOM 0 H GLY A 104 14.309 -11.774 1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 104 15.952 -11.917 4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 104 16.283 -10.603 2.989 1.00 0.00 H new ATOM 1669 N PRO A 105 13.990 -9.397 3.260 1.00 0.00 N ATOM 1670 CA PRO A 105 12.823 -8.601 3.668 1.00 0.00 C ATOM 1671 C PRO A 105 11.558 -9.136 2.981 1.00 0.00 C ATOM 1672 O PRO A 105 11.528 -10.265 2.527 1.00 0.00 O ATOM 1673 CB PRO A 105 13.162 -7.192 3.185 1.00 0.00 C ATOM 1674 CG PRO A 105 14.201 -7.349 2.048 1.00 0.00 C ATOM 1675 CD PRO A 105 14.781 -8.772 2.170 1.00 0.00 C ATOM 0 HA PRO A 105 12.626 -8.635 4.739 1.00 0.00 H new ATOM 0 HB2 PRO A 105 12.269 -6.681 2.825 1.00 0.00 H new ATOM 0 HB3 PRO A 105 13.567 -6.591 3.999 1.00 0.00 H new ATOM 0 HG2 PRO A 105 13.734 -7.204 1.074 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.989 -6.601 2.138 1.00 0.00 H new ATOM 0 HD2 PRO A 105 14.678 -9.325 1.236 1.00 0.00 H new ATOM 0 HD3 PRO A 105 15.844 -8.749 2.412 1.00 0.00 H new ATOM 1683 N LYS A 106 10.513 -8.344 2.912 1.00 0.00 N ATOM 1684 CA LYS A 106 9.255 -8.819 2.268 1.00 0.00 C ATOM 1685 C LYS A 106 8.311 -7.640 2.024 1.00 0.00 C ATOM 1686 O LYS A 106 8.528 -6.546 2.510 1.00 0.00 O ATOM 1687 CB LYS A 106 8.587 -9.818 3.206 1.00 0.00 C ATOM 1688 CG LYS A 106 8.133 -11.056 2.424 1.00 0.00 C ATOM 1689 CD LYS A 106 8.381 -12.313 3.262 1.00 0.00 C ATOM 1690 CE LYS A 106 7.411 -12.338 4.444 1.00 0.00 C ATOM 1691 NZ LYS A 106 7.539 -13.637 5.164 1.00 0.00 N ATOM 0 H LYS A 106 10.481 -7.391 3.275 1.00 0.00 H new ATOM 0 HA LYS A 106 9.483 -9.287 1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 106 9.282 -10.111 3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 106 7.731 -9.353 3.694 1.00 0.00 H new ATOM 0 HG2 LYS A 106 7.074 -10.974 2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.676 -11.122 1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.247 -13.204 2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.410 -12.326 3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.625 -11.512 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 106 6.388 -12.204 4.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 6.880 -13.655 5.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 7.314 -14.418 4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.513 -13.746 5.512 1.00 0.00 H new ATOM 1705 N THR A 107 7.258 -7.865 1.280 1.00 0.00 N ATOM 1706 CA THR A 107 6.284 -6.778 0.996 1.00 0.00 C ATOM 1707 C THR A 107 5.021 -7.005 1.825 1.00 0.00 C ATOM 1708 O THR A 107 4.803 -8.074 2.355 1.00 0.00 O ATOM 1709 CB THR A 107 5.926 -6.813 -0.496 1.00 0.00 C ATOM 1710 OG1 THR A 107 5.918 -8.158 -0.955 1.00 0.00 O ATOM 1711 CG2 THR A 107 6.955 -6.023 -1.297 1.00 0.00 C ATOM 0 H THR A 107 7.033 -8.765 0.855 1.00 0.00 H new ATOM 0 HA THR A 107 6.718 -5.811 1.252 1.00 0.00 H new ATOM 0 HB THR A 107 4.939 -6.370 -0.631 1.00 0.00 H new ATOM 0 HG1 THR A 107 5.687 -8.177 -1.907 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.694 -6.053 -2.355 1.00 0.00 H new ATOM 0 HG22 THR A 107 6.966 -4.988 -0.955 1.00 0.00 H new ATOM 0 HG23 THR A 107 7.942 -6.462 -1.155 1.00 0.00 H new ATOM 1719 N SER A 108 4.190 -5.998 1.940 1.00 0.00 N ATOM 1720 CA SER A 108 2.926 -6.128 2.732 1.00 0.00 C ATOM 1721 C SER A 108 2.276 -4.747 2.849 1.00 0.00 C ATOM 1722 O SER A 108 2.879 -3.749 2.504 1.00 0.00 O ATOM 1723 CB SER A 108 3.237 -6.643 4.142 1.00 0.00 C ATOM 1724 OG SER A 108 4.467 -6.085 4.585 1.00 0.00 O ATOM 0 H SER A 108 4.335 -5.082 1.515 1.00 0.00 H new ATOM 0 HA SER A 108 2.258 -6.829 2.231 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.434 -6.371 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.298 -7.731 4.139 1.00 0.00 H new ATOM 0 HG SER A 108 4.668 -6.411 5.487 1.00 0.00 H new ATOM 1730 N TRP A 109 1.076 -4.671 3.372 1.00 0.00 N ATOM 1731 CA TRP A 109 0.431 -3.335 3.560 1.00 0.00 C ATOM 1732 C TRP A 109 -0.705 -3.441 4.543 1.00 0.00 C ATOM 1733 O TRP A 109 -1.434 -4.415 4.571 1.00 0.00 O ATOM 1734 CB TRP A 109 -0.055 -2.695 2.239 1.00 0.00 C ATOM 1735 CG TRP A 109 -1.206 -3.388 1.568 1.00 0.00 C ATOM 1736 CD1 TRP A 109 -1.118 -3.952 0.345 1.00 0.00 C ATOM 1737 CD2 TRP A 109 -2.613 -3.525 1.982 1.00 0.00 C ATOM 1738 NE1 TRP A 109 -2.358 -4.438 -0.023 1.00 0.00 N ATOM 1739 CE2 TRP A 109 -3.311 -4.207 0.947 1.00 0.00 C ATOM 1740 CE3 TRP A 109 -3.351 -3.148 3.133 1.00 0.00 C ATOM 1741 CZ2 TRP A 109 -4.675 -4.496 1.049 1.00 0.00 C ATOM 1742 CZ3 TRP A 109 -4.718 -3.445 3.228 1.00 0.00 C ATOM 1743 CH2 TRP A 109 -5.374 -4.114 2.191 1.00 0.00 C ATOM 0 H TRP A 109 0.519 -5.470 3.675 1.00 0.00 H new ATOM 0 HA TRP A 109 1.200 -2.671 3.955 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -0.343 -1.663 2.440 1.00 0.00 H new ATOM 0 HB3 TRP A 109 0.783 -2.662 1.542 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -0.220 -4.014 -0.252 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -2.546 -4.911 -0.907 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -2.857 -2.629 3.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -5.183 -5.012 0.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.269 -3.154 4.110 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.428 -4.336 2.276 1.00 0.00 H new ATOM 1754 N THR A 110 -0.853 -2.437 5.365 1.00 0.00 N ATOM 1755 CA THR A 110 -1.946 -2.457 6.368 1.00 0.00 C ATOM 1756 C THR A 110 -2.718 -1.151 6.318 1.00 0.00 C ATOM 1757 O THR A 110 -2.231 -0.107 6.701 1.00 0.00 O ATOM 1758 CB THR A 110 -1.377 -2.658 7.767 1.00 0.00 C ATOM 1759 OG1 THR A 110 -0.729 -1.468 8.192 1.00 0.00 O ATOM 1760 CG2 THR A 110 -0.379 -3.815 7.758 1.00 0.00 C ATOM 0 H THR A 110 -0.262 -1.606 5.382 1.00 0.00 H new ATOM 0 HA THR A 110 -2.617 -3.284 6.135 1.00 0.00 H new ATOM 0 HB THR A 110 -2.188 -2.893 8.456 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.163 -0.693 7.777 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.025 -3.955 8.761 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.883 -4.728 7.439 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.434 -3.589 7.068 1.00 0.00 H new ATOM 1768 N ARG A 111 -3.932 -1.222 5.866 1.00 0.00 N ATOM 1769 CA ARG A 111 -4.787 -0.004 5.792 1.00 0.00 C ATOM 1770 C ARG A 111 -5.436 0.190 7.157 1.00 0.00 C ATOM 1771 O ARG A 111 -5.909 -0.752 7.745 1.00 0.00 O ATOM 1772 CB ARG A 111 -5.849 -0.206 4.702 1.00 0.00 C ATOM 1773 CG ARG A 111 -5.215 0.014 3.328 1.00 0.00 C ATOM 1774 CD ARG A 111 -6.258 -0.221 2.235 1.00 0.00 C ATOM 1775 NE ARG A 111 -5.568 -0.446 0.934 1.00 0.00 N ATOM 1776 CZ ARG A 111 -5.098 0.568 0.259 1.00 0.00 C ATOM 1777 NH1 ARG A 111 -5.891 1.546 -0.086 1.00 0.00 N ATOM 1778 NH2 ARG A 111 -3.836 0.605 -0.070 1.00 0.00 N ATOM 0 H ARG A 111 -4.377 -2.080 5.540 1.00 0.00 H new ATOM 0 HA ARG A 111 -4.202 0.880 5.539 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -6.265 -1.211 4.766 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -6.674 0.490 4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -4.822 1.028 3.257 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.373 -0.665 3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -6.876 -1.083 2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -6.925 0.638 2.162 1.00 0.00 H new ATOM 0 HE ARG A 111 -5.463 -1.393 0.570 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -6.877 1.518 0.172 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -5.524 2.338 -0.613 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -3.216 -0.159 0.200 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.469 1.397 -0.597 1.00 0.00 H new ATOM 1792 N GLU A 112 -5.439 1.388 7.686 1.00 0.00 N ATOM 1793 CA GLU A 112 -6.039 1.587 9.036 1.00 0.00 C ATOM 1794 C GLU A 112 -6.963 2.803 9.024 1.00 0.00 C ATOM 1795 O GLU A 112 -6.763 3.745 8.292 1.00 0.00 O ATOM 1796 CB GLU A 112 -4.902 1.769 10.059 1.00 0.00 C ATOM 1797 CG GLU A 112 -5.447 2.225 11.424 1.00 0.00 C ATOM 1798 CD GLU A 112 -4.370 2.037 12.494 1.00 0.00 C ATOM 1799 OE1 GLU A 112 -3.293 2.585 12.325 1.00 0.00 O ATOM 1800 OE2 GLU A 112 -4.640 1.348 13.464 1.00 0.00 O ATOM 0 H GLU A 112 -5.057 2.225 7.247 1.00 0.00 H new ATOM 0 HA GLU A 112 -6.635 0.718 9.314 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.361 0.830 10.176 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.188 2.503 9.686 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.748 3.272 11.376 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.336 1.650 11.683 1.00 0.00 H new ATOM 1807 N LEU A 113 -7.979 2.765 9.838 1.00 0.00 N ATOM 1808 CA LEU A 113 -8.951 3.885 9.914 1.00 0.00 C ATOM 1809 C LEU A 113 -8.805 4.575 11.273 1.00 0.00 C ATOM 1810 O LEU A 113 -8.213 4.032 12.187 1.00 0.00 O ATOM 1811 CB LEU A 113 -10.358 3.291 9.792 1.00 0.00 C ATOM 1812 CG LEU A 113 -10.773 3.062 8.329 1.00 0.00 C ATOM 1813 CD1 LEU A 113 -11.292 4.367 7.728 1.00 0.00 C ATOM 1814 CD2 LEU A 113 -9.615 2.527 7.492 1.00 0.00 C ATOM 0 H LEU A 113 -8.179 1.987 10.467 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.774 4.610 9.120 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -10.398 2.344 10.330 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -11.074 3.959 10.270 1.00 0.00 H new ATOM 0 HG LEU A 113 -11.564 2.313 8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -11.585 4.199 6.692 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -12.155 4.712 8.297 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -10.507 5.122 7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -9.947 2.378 6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -8.794 3.243 7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -9.276 1.577 7.905 1.00 0.00 H new ATOM 1873 N GLU A 118 -9.879 9.444 8.220 1.00 0.00 N ATOM 1874 CA GLU A 118 -8.429 9.556 8.548 1.00 0.00 C ATOM 1875 C GLU A 118 -7.816 8.171 8.349 1.00 0.00 C ATOM 1876 O GLU A 118 -7.465 7.484 9.288 1.00 0.00 O ATOM 1877 CB GLU A 118 -8.259 10.007 10.002 1.00 0.00 C ATOM 1878 CG GLU A 118 -7.885 11.491 10.042 1.00 0.00 C ATOM 1879 CD GLU A 118 -7.682 11.927 11.494 1.00 0.00 C ATOM 1880 OE1 GLU A 118 -6.856 11.327 12.162 1.00 0.00 O ATOM 1881 OE2 GLU A 118 -8.355 12.853 11.914 1.00 0.00 O ATOM 0 HA GLU A 118 -7.938 10.290 7.909 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.183 9.840 10.555 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -7.485 9.414 10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -6.974 11.663 9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.671 12.088 9.578 1.00 0.00 H new ATOM 1888 N LEU A 119 -7.742 7.750 7.119 1.00 0.00 N ATOM 1889 CA LEU A 119 -7.219 6.394 6.797 1.00 0.00 C ATOM 1890 C LEU A 119 -5.693 6.402 6.635 1.00 0.00 C ATOM 1891 O LEU A 119 -5.177 6.870 5.645 1.00 0.00 O ATOM 1892 CB LEU A 119 -7.867 5.964 5.479 1.00 0.00 C ATOM 1893 CG LEU A 119 -7.750 4.450 5.284 1.00 0.00 C ATOM 1894 CD1 LEU A 119 -9.078 3.892 4.762 1.00 0.00 C ATOM 1895 CD2 LEU A 119 -6.644 4.155 4.271 1.00 0.00 C ATOM 0 H LEU A 119 -8.027 8.299 6.308 1.00 0.00 H new ATOM 0 HA LEU A 119 -7.457 5.707 7.609 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.917 6.256 5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.388 6.480 4.647 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.511 3.980 6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.991 2.814 4.624 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.869 4.103 5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.320 4.361 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.558 3.078 4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.887 4.628 3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.697 4.549 4.641 1.00 0.00 H new ATOM 1907 N ILE A 120 -4.967 5.853 7.580 1.00 0.00 N ATOM 1908 CA ILE A 120 -3.477 5.804 7.437 1.00 0.00 C ATOM 1909 C ILE A 120 -3.112 4.453 6.820 1.00 0.00 C ATOM 1910 O ILE A 120 -3.285 3.415 7.423 1.00 0.00 O ATOM 1911 CB ILE A 120 -2.807 6.006 8.800 1.00 0.00 C ATOM 1912 CG1 ILE A 120 -3.148 4.852 9.748 1.00 0.00 C ATOM 1913 CG2 ILE A 120 -3.322 7.309 9.396 1.00 0.00 C ATOM 1914 CD1 ILE A 120 -1.980 3.862 9.785 1.00 0.00 C ATOM 0 H ILE A 120 -5.337 5.440 8.436 1.00 0.00 H new ATOM 0 HA ILE A 120 -3.122 6.605 6.789 1.00 0.00 H new ATOM 0 HB ILE A 120 -1.725 6.038 8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -3.346 5.235 10.749 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -4.055 4.349 9.414 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.857 7.473 10.368 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -3.074 8.136 8.731 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -4.404 7.252 9.516 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -2.221 3.040 10.459 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -1.803 3.470 8.783 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -1.083 4.370 10.139 1.00 0.00 H new ATOM 1926 N LEU A 121 -2.662 4.467 5.596 1.00 0.00 N ATOM 1927 CA LEU A 121 -2.348 3.198 4.888 1.00 0.00 C ATOM 1928 C LEU A 121 -0.826 3.022 4.709 1.00 0.00 C ATOM 1929 O LEU A 121 -0.147 3.846 4.126 1.00 0.00 O ATOM 1930 CB LEU A 121 -3.098 3.245 3.534 1.00 0.00 C ATOM 1931 CG LEU A 121 -2.648 2.160 2.538 1.00 0.00 C ATOM 1932 CD1 LEU A 121 -1.397 2.635 1.799 1.00 0.00 C ATOM 1933 CD2 LEU A 121 -2.346 0.841 3.247 1.00 0.00 C ATOM 0 H LEU A 121 -2.497 5.314 5.052 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.675 2.333 5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.167 3.136 3.717 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -2.950 4.225 3.081 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.462 1.989 1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.078 1.868 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -1.621 3.554 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.599 2.822 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.031 0.098 2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.549 0.993 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.242 0.489 3.759 1.00 0.00 H new ATOM 1945 N THR A 122 -0.309 1.929 5.220 1.00 0.00 N ATOM 1946 CA THR A 122 1.151 1.618 5.118 1.00 0.00 C ATOM 1947 C THR A 122 1.354 0.519 4.076 1.00 0.00 C ATOM 1948 O THR A 122 0.468 -0.255 3.810 1.00 0.00 O ATOM 1949 CB THR A 122 1.637 1.080 6.455 1.00 0.00 C ATOM 1950 OG1 THR A 122 1.277 1.977 7.495 1.00 0.00 O ATOM 1951 CG2 THR A 122 3.153 0.905 6.421 1.00 0.00 C ATOM 0 H THR A 122 -0.853 1.223 5.716 1.00 0.00 H new ATOM 0 HA THR A 122 1.697 2.520 4.841 1.00 0.00 H new ATOM 0 HB THR A 122 1.171 0.113 6.643 1.00 0.00 H new ATOM 0 HG1 THR A 122 1.591 1.625 8.354 1.00 0.00 H new ATOM 0 HG21 THR A 122 3.496 0.519 7.381 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.421 0.203 5.631 1.00 0.00 H new ATOM 0 HG23 THR A 122 3.626 1.868 6.226 1.00 0.00 H new ATOM 1959 N MET A 123 2.522 0.421 3.517 1.00 0.00 N ATOM 1960 CA MET A 123 2.780 -0.657 2.515 1.00 0.00 C ATOM 1961 C MET A 123 4.276 -0.928 2.446 1.00 0.00 C ATOM 1962 O MET A 123 5.010 -0.258 1.745 1.00 0.00 O ATOM 1963 CB MET A 123 2.261 -0.231 1.144 1.00 0.00 C ATOM 1964 CG MET A 123 2.380 -1.405 0.163 1.00 0.00 C ATOM 1965 SD MET A 123 3.778 -1.142 -0.960 1.00 0.00 S ATOM 1966 CE MET A 123 4.018 -2.873 -1.431 1.00 0.00 C ATOM 0 H MET A 123 3.312 1.037 3.706 1.00 0.00 H new ATOM 0 HA MET A 123 2.260 -1.566 2.817 1.00 0.00 H new ATOM 0 HB2 MET A 123 1.222 0.089 1.220 1.00 0.00 H new ATOM 0 HB3 MET A 123 2.831 0.622 0.777 1.00 0.00 H new ATOM 0 HG2 MET A 123 2.516 -2.336 0.713 1.00 0.00 H new ATOM 0 HG3 MET A 123 1.458 -1.505 -0.410 1.00 0.00 H new ATOM 0 HE1 MET A 123 4.990 -2.988 -1.910 1.00 0.00 H new ATOM 0 HE2 MET A 123 3.975 -3.501 -0.541 1.00 0.00 H new ATOM 0 HE3 MET A 123 3.233 -3.173 -2.126 1.00 0.00 H new ATOM 1976 N THR A 124 4.729 -1.900 3.188 1.00 0.00 N ATOM 1977 CA THR A 124 6.187 -2.217 3.202 1.00 0.00 C ATOM 1978 C THR A 124 6.595 -2.870 1.896 1.00 0.00 C ATOM 1979 O THR A 124 5.769 -3.246 1.085 1.00 0.00 O ATOM 1980 CB THR A 124 6.571 -3.143 4.385 1.00 0.00 C ATOM 1981 OG1 THR A 124 6.569 -4.506 3.972 1.00 0.00 O ATOM 1982 CG2 THR A 124 5.610 -2.992 5.569 1.00 0.00 C ATOM 0 H THR A 124 4.152 -2.491 3.787 1.00 0.00 H new ATOM 0 HA THR A 124 6.719 -1.274 3.327 1.00 0.00 H new ATOM 0 HB THR A 124 7.570 -2.845 4.704 1.00 0.00 H new ATOM 0 HG1 THR A 124 5.709 -4.916 4.202 1.00 0.00 H new ATOM 0 HG21 THR A 124 5.917 -3.659 6.374 1.00 0.00 H new ATOM 0 HG22 THR A 124 5.629 -1.962 5.924 1.00 0.00 H new ATOM 0 HG23 THR A 124 4.599 -3.248 5.252 1.00 0.00 H new ATOM 1990 N ALA A 125 7.878 -3.004 1.698 1.00 0.00 N ATOM 1991 CA ALA A 125 8.366 -3.638 0.441 1.00 0.00 C ATOM 1992 C ALA A 125 9.885 -3.813 0.440 1.00 0.00 C ATOM 1993 O ALA A 125 10.629 -2.885 0.200 1.00 0.00 O ATOM 1994 CB ALA A 125 7.965 -2.775 -0.752 1.00 0.00 C ATOM 0 H ALA A 125 8.605 -2.704 2.348 1.00 0.00 H new ATOM 0 HA ALA A 125 7.911 -4.626 0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.322 -3.238 -1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.879 -2.686 -0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.407 -1.784 -0.649 1.00 0.00 H new ATOM 2000 N ASP A 126 10.357 -5.011 0.668 1.00 0.00 N ATOM 2001 CA ASP A 126 11.834 -5.251 0.656 1.00 0.00 C ATOM 2002 C ASP A 126 12.478 -4.487 1.815 1.00 0.00 C ATOM 2003 O ASP A 126 13.597 -4.024 1.716 1.00 0.00 O ATOM 2004 CB ASP A 126 12.429 -4.770 -0.675 1.00 0.00 C ATOM 2005 CG ASP A 126 13.162 -5.922 -1.369 1.00 0.00 C ATOM 2006 OD1 ASP A 126 12.543 -6.952 -1.578 1.00 0.00 O ATOM 2007 OD2 ASP A 126 14.330 -5.754 -1.678 1.00 0.00 O ATOM 0 H ASP A 126 9.786 -5.834 0.862 1.00 0.00 H new ATOM 0 HA ASP A 126 12.030 -6.317 0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 126 11.637 -4.391 -1.321 1.00 0.00 H new ATOM 0 HB3 ASP A 126 13.118 -3.944 -0.497 1.00 0.00 H new ATOM 2012 N ASP A 127 11.755 -4.371 2.908 1.00 0.00 N ATOM 2013 CA ASP A 127 12.234 -3.664 4.152 1.00 0.00 C ATOM 2014 C ASP A 127 11.827 -2.191 4.131 1.00 0.00 C ATOM 2015 O ASP A 127 12.004 -1.492 5.113 1.00 0.00 O ATOM 2016 CB ASP A 127 13.756 -3.772 4.332 1.00 0.00 C ATOM 2017 CG ASP A 127 14.101 -3.724 5.822 1.00 0.00 C ATOM 2018 OD1 ASP A 127 13.444 -4.414 6.584 1.00 0.00 O ATOM 2019 OD2 ASP A 127 15.016 -2.999 6.175 1.00 0.00 O ATOM 0 H ASP A 127 10.813 -4.753 2.994 1.00 0.00 H new ATOM 0 HA ASP A 127 11.757 -4.162 4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 127 14.119 -4.702 3.894 1.00 0.00 H new ATOM 0 HB3 ASP A 127 14.253 -2.957 3.807 1.00 0.00 H new ATOM 2024 N VAL A 128 11.266 -1.707 3.047 1.00 0.00 N ATOM 2025 CA VAL A 128 10.841 -0.290 3.014 1.00 0.00 C ATOM 2026 C VAL A 128 9.451 -0.194 3.638 1.00 0.00 C ATOM 2027 O VAL A 128 8.845 -1.191 3.978 1.00 0.00 O ATOM 2028 CB VAL A 128 10.802 0.211 1.557 1.00 0.00 C ATOM 2029 CG1 VAL A 128 12.126 -0.105 0.858 1.00 0.00 C ATOM 2030 CG2 VAL A 128 9.665 -0.460 0.786 1.00 0.00 C ATOM 0 H VAL A 128 11.089 -2.237 2.193 1.00 0.00 H new ATOM 0 HA VAL A 128 11.545 0.328 3.572 1.00 0.00 H new ATOM 0 HB VAL A 128 10.639 1.289 1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 128 12.089 0.253 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 128 12.942 0.389 1.385 1.00 0.00 H new ATOM 0 HG13 VAL A 128 12.291 -1.182 0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 128 9.655 -0.093 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 128 9.815 -1.540 0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 128 8.714 -0.227 1.264 1.00 0.00 H new ATOM 2040 N VAL A 129 8.943 0.991 3.765 1.00 0.00 N ATOM 2041 CA VAL A 129 7.586 1.164 4.331 1.00 0.00 C ATOM 2042 C VAL A 129 7.010 2.497 3.859 1.00 0.00 C ATOM 2043 O VAL A 129 7.518 3.556 4.163 1.00 0.00 O ATOM 2044 CB VAL A 129 7.656 1.034 5.868 1.00 0.00 C ATOM 2045 CG1 VAL A 129 6.703 2.015 6.585 1.00 0.00 C ATOM 2046 CG2 VAL A 129 7.264 -0.398 6.229 1.00 0.00 C ATOM 0 H VAL A 129 9.414 1.856 3.499 1.00 0.00 H new ATOM 0 HA VAL A 129 6.909 0.386 3.979 1.00 0.00 H new ATOM 0 HB VAL A 129 8.668 1.274 6.193 1.00 0.00 H new ATOM 0 HG11 VAL A 129 6.790 1.884 7.664 1.00 0.00 H new ATOM 0 HG12 VAL A 129 6.969 3.039 6.321 1.00 0.00 H new ATOM 0 HG13 VAL A 129 5.677 1.816 6.277 1.00 0.00 H new ATOM 0 HG21 VAL A 129 7.303 -0.524 7.311 1.00 0.00 H new ATOM 0 HG22 VAL A 129 6.252 -0.598 5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 129 7.957 -1.095 5.757 1.00 0.00 H new ATOM 2056 N CYS A 130 5.939 2.423 3.124 1.00 0.00 N ATOM 2057 CA CYS A 130 5.282 3.659 2.612 1.00 0.00 C ATOM 2058 C CYS A 130 4.107 4.004 3.525 1.00 0.00 C ATOM 2059 O CYS A 130 3.009 3.512 3.347 1.00 0.00 O ATOM 2060 CB CYS A 130 4.772 3.417 1.190 1.00 0.00 C ATOM 2061 SG CYS A 130 4.489 5.007 0.372 1.00 0.00 S ATOM 0 H CYS A 130 5.485 1.551 2.852 1.00 0.00 H new ATOM 0 HA CYS A 130 5.997 4.482 2.599 1.00 0.00 H new ATOM 0 HB2 CYS A 130 5.498 2.830 0.627 1.00 0.00 H new ATOM 0 HB3 CYS A 130 3.848 2.840 1.217 1.00 0.00 H new ATOM 0 HG CYS A 130 4.058 4.802 -0.837 1.00 0.00 H new ATOM 2067 N THR A 131 4.337 4.831 4.511 1.00 0.00 N ATOM 2068 CA THR A 131 3.243 5.199 5.456 1.00 0.00 C ATOM 2069 C THR A 131 2.787 6.635 5.206 1.00 0.00 C ATOM 2070 O THR A 131 3.559 7.570 5.314 1.00 0.00 O ATOM 2071 CB THR A 131 3.757 5.089 6.893 1.00 0.00 C ATOM 2072 OG1 THR A 131 4.766 4.091 6.959 1.00 0.00 O ATOM 2073 CG2 THR A 131 2.605 4.717 7.830 1.00 0.00 C ATOM 0 H THR A 131 5.238 5.268 4.703 1.00 0.00 H new ATOM 0 HA THR A 131 2.403 4.522 5.301 1.00 0.00 H new ATOM 0 HB THR A 131 4.172 6.048 7.201 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.097 4.021 7.879 1.00 0.00 H new ATOM 0 HG21 THR A 131 2.977 4.640 8.852 1.00 0.00 H new ATOM 0 HG22 THR A 131 1.834 5.486 7.782 1.00 0.00 H new ATOM 0 HG23 THR A 131 2.182 3.760 7.525 1.00 0.00 H new ATOM 2081 N ARG A 132 1.532 6.813 4.896 1.00 0.00 N ATOM 2082 CA ARG A 132 0.998 8.188 4.661 1.00 0.00 C ATOM 2083 C ARG A 132 -0.465 8.221 5.090 1.00 0.00 C ATOM 2084 O ARG A 132 -1.208 7.285 4.860 1.00 0.00 O ATOM 2085 CB ARG A 132 1.120 8.597 3.180 1.00 0.00 C ATOM 2086 CG ARG A 132 0.976 7.385 2.256 1.00 0.00 C ATOM 2087 CD ARG A 132 0.975 7.858 0.803 1.00 0.00 C ATOM 2088 NE ARG A 132 1.300 6.713 -0.094 1.00 0.00 N ATOM 2089 CZ ARG A 132 1.846 6.931 -1.259 1.00 0.00 C ATOM 2090 NH1 ARG A 132 2.932 7.650 -1.346 1.00 0.00 N ATOM 2091 NH2 ARG A 132 1.307 6.430 -2.337 1.00 0.00 N ATOM 0 H ARG A 132 0.849 6.062 4.795 1.00 0.00 H new ATOM 0 HA ARG A 132 1.583 8.898 5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 132 0.354 9.334 2.939 1.00 0.00 H new ATOM 0 HB3 ARG A 132 2.085 9.074 3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 132 1.796 6.686 2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 132 0.052 6.851 2.478 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -0.000 8.270 0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 132 1.704 8.657 0.669 1.00 0.00 H new ATOM 0 HE ARG A 132 1.096 5.759 0.203 1.00 0.00 H new ATOM 0 HH11 ARG A 132 3.354 8.041 -0.504 1.00 0.00 H new ATOM 0 HH12 ARG A 132 3.359 7.821 -2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 132 0.459 5.868 -2.269 1.00 0.00 H new ATOM 0 HH22 ARG A 132 1.734 6.601 -3.247 1.00 0.00 H new ATOM 2105 N VAL A 133 -0.878 9.286 5.726 1.00 0.00 N ATOM 2106 CA VAL A 133 -2.289 9.380 6.190 1.00 0.00 C ATOM 2107 C VAL A 133 -3.187 9.749 5.016 1.00 0.00 C ATOM 2108 O VAL A 133 -2.744 10.277 4.020 1.00 0.00 O ATOM 2109 CB VAL A 133 -2.391 10.449 7.290 1.00 0.00 C ATOM 2110 CG1 VAL A 133 -3.854 10.654 7.695 1.00 0.00 C ATOM 2111 CG2 VAL A 133 -1.588 9.994 8.510 1.00 0.00 C ATOM 0 H VAL A 133 -0.296 10.095 5.943 1.00 0.00 H new ATOM 0 HA VAL A 133 -2.610 8.419 6.593 1.00 0.00 H new ATOM 0 HB VAL A 133 -1.992 11.390 6.911 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.913 11.413 8.475 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.429 10.979 6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -4.262 9.716 8.071 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -1.657 10.749 9.293 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.990 9.050 8.879 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -0.544 9.858 8.228 1.00 0.00 H new ATOM 2121 N TYR A 134 -4.454 9.485 5.150 1.00 0.00 N ATOM 2122 CA TYR A 134 -5.416 9.828 4.077 1.00 0.00 C ATOM 2123 C TYR A 134 -6.675 10.396 4.711 1.00 0.00 C ATOM 2124 O TYR A 134 -6.924 10.221 5.889 1.00 0.00 O ATOM 2125 CB TYR A 134 -5.841 8.589 3.308 1.00 0.00 C ATOM 2126 CG TYR A 134 -4.711 8.060 2.479 1.00 0.00 C ATOM 2127 CD1 TYR A 134 -3.633 7.427 3.096 1.00 0.00 C ATOM 2128 CD2 TYR A 134 -4.753 8.183 1.088 1.00 0.00 C ATOM 2129 CE1 TYR A 134 -2.593 6.916 2.326 1.00 0.00 C ATOM 2130 CE2 TYR A 134 -3.713 7.676 0.312 1.00 0.00 C ATOM 2131 CZ TYR A 134 -2.627 7.039 0.930 1.00 0.00 C ATOM 2132 OH TYR A 134 -1.596 6.532 0.165 1.00 0.00 O ATOM 0 H TYR A 134 -4.867 9.040 5.970 1.00 0.00 H new ATOM 0 HA TYR A 134 -4.932 10.538 3.407 1.00 0.00 H new ATOM 0 HB2 TYR A 134 -6.177 7.821 4.005 1.00 0.00 H new ATOM 0 HB3 TYR A 134 -6.688 8.828 2.665 1.00 0.00 H new ATOM 0 HD1 TYR A 134 -3.605 7.333 4.172 1.00 0.00 H new ATOM 0 HD2 TYR A 134 -5.592 8.671 0.614 1.00 0.00 H new ATOM 0 HE1 TYR A 134 -1.759 6.424 2.804 1.00 0.00 H new ATOM 0 HE2 TYR A 134 -3.743 7.773 -0.763 1.00 0.00 H new ATOM 0 HH TYR A 134 -1.778 6.701 -0.783 1.00 0.00 H new ATOM 2142 N VAL A 135 -7.491 11.023 3.922 1.00 0.00 N ATOM 2143 CA VAL A 135 -8.771 11.556 4.431 1.00 0.00 C ATOM 2144 C VAL A 135 -9.830 11.195 3.412 1.00 0.00 C ATOM 2145 O VAL A 135 -9.510 10.876 2.288 1.00 0.00 O ATOM 2146 CB VAL A 135 -8.696 13.056 4.588 1.00 0.00 C ATOM 2147 CG1 VAL A 135 -10.011 13.555 5.168 1.00 0.00 C ATOM 2148 CG2 VAL A 135 -7.556 13.397 5.538 1.00 0.00 C ATOM 0 H VAL A 135 -7.321 11.190 2.930 1.00 0.00 H new ATOM 0 HA VAL A 135 -9.003 11.134 5.409 1.00 0.00 H new ATOM 0 HB VAL A 135 -8.519 13.529 3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -9.969 14.638 5.286 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -10.828 13.295 4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -10.180 13.090 6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -7.494 14.479 5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -7.740 12.934 6.508 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -6.617 13.023 5.129 1.00 0.00 H new ATOM 2158 N ARG A 136 -11.075 11.225 3.771 1.00 0.00 N ATOM 2159 CA ARG A 136 -12.104 10.850 2.766 1.00 0.00 C ATOM 2160 C ARG A 136 -12.477 12.067 1.932 1.00 0.00 C ATOM 2161 O ARG A 136 -13.001 13.045 2.427 1.00 0.00 O ATOM 2162 CB ARG A 136 -13.355 10.271 3.428 1.00 0.00 C ATOM 2163 CG ARG A 136 -13.365 8.748 3.260 1.00 0.00 C ATOM 2164 CD ARG A 136 -13.925 8.093 4.525 1.00 0.00 C ATOM 2165 NE ARG A 136 -15.369 8.435 4.664 1.00 0.00 N ATOM 2166 CZ ARG A 136 -16.280 7.597 4.251 1.00 0.00 C ATOM 2167 NH1 ARG A 136 -16.470 6.473 4.888 1.00 0.00 N ATOM 2168 NH2 ARG A 136 -17.002 7.883 3.202 1.00 0.00 N ATOM 0 H ARG A 136 -11.423 11.486 4.694 1.00 0.00 H new ATOM 0 HA ARG A 136 -11.679 10.079 2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -13.372 10.531 4.486 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -14.250 10.703 2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -13.971 8.472 2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -12.354 8.387 3.069 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -13.800 7.011 4.473 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -13.373 8.436 5.400 1.00 0.00 H new ATOM 0 HE ARG A 136 -15.645 9.324 5.082 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -15.906 6.250 5.708 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -17.182 5.818 4.565 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -16.854 8.761 2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -17.714 7.228 2.879 1.00 0.00 H new ATOM 2182 N GLU A 137 -12.201 11.995 0.658 1.00 0.00 N ATOM 2183 CA GLU A 137 -12.518 13.120 -0.281 1.00 0.00 C ATOM 2184 C GLU A 137 -13.937 13.658 -0.040 1.00 0.00 C ATOM 2185 O GLU A 137 -14.127 14.855 -0.178 1.00 0.00 O ATOM 2186 CB GLU A 137 -12.430 12.605 -1.718 1.00 0.00 C ATOM 2187 CG GLU A 137 -12.528 13.784 -2.686 1.00 0.00 C ATOM 2188 CD GLU A 137 -13.173 13.320 -3.993 1.00 0.00 C ATOM 2189 OE1 GLU A 137 -12.527 12.586 -4.722 1.00 0.00 O ATOM 2190 OE2 GLU A 137 -14.303 13.706 -4.243 1.00 0.00 O ATOM 2191 OXT GLU A 137 -14.806 12.862 0.277 1.00 0.00 O ATOM 0 H GLU A 137 -11.760 11.189 0.216 1.00 0.00 H new ATOM 0 HA GLU A 137 -11.803 13.925 -0.110 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -11.490 12.073 -1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -13.233 11.894 -1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -13.118 14.585 -2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -11.536 14.190 -2.882 1.00 0.00 H new