USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 THR OG1 : rot -179:sc= -0.534 USER MOD Set 1.2: A 110 ASN : amide:sc=-0.00856 K(o=-0.54,f=-2.7) USER MOD Set 2.1: A 80 SER OG : rot 150:sc= 0.192 USER MOD Set 2.2: A 82 ASN : amide:sc= 0.226 X(o=0.42,f=-0.023) USER MOD Set 3.1: A 63 GLN : amide:sc= 0.963 K(o=0.99,f=-1.3) USER MOD Set 3.2: A 66 LYS NZ :NH3+ 177:sc= 0.0284 (180deg=0) USER MOD Set 4.1: A 16 HIS : no HE2:sc= -2 K(o=-1.4,f=-13!) USER MOD Set 4.2: A 108 CYS SG : rot 121:sc= 0.62 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 172:sc= 0.517 USER MOD Single : A 17 ASN : amide:sc= 0.225 K(o=0.22,f=-3.4!) USER MOD Single : A 23 THR OG1 : rot 3:sc= 0.25 USER MOD Single : A 27 HIS : no HD1:sc=-0.00785 X(o=-0.0078,f=-0.0017) USER MOD Single : A 29 CYS SG : rot -160:sc= -2.35 USER MOD Single : A 32 THR OG1 : rot 90:sc= -0.384 USER MOD Single : A 35 TYR OH : rot -106:sc= 1.52 USER MOD Single : A 36 GLN : amide:sc= -0.806 K(o=-0.81,f=-0.1) USER MOD Single : A 38 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.00075) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0105) USER MOD Single : A 44 ASN : amide:sc= 0.769 K(o=0.77,f=-11!) USER MOD Single : A 49 CYS SG : rot 80:sc= -3.33! USER MOD Single : A 50 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-9.1!) USER MOD Single : A 54 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.1) USER MOD Single : A 55 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.085) USER MOD Single : A 60 SER OG : rot -47:sc= 0.579 USER MOD Single : A 62 GLN : amide:sc= 0.138 X(o=0.14,f=-0.32) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -3.69! K(o=-3.7!,f=-0.2) USER MOD Single : A 73 SER OG : rot 39:sc= 0.08 USER MOD Single : A 75 MET CE :methyl -131:sc= 0 (180deg=-0.872) USER MOD Single : A 81 LYS NZ :NH3+ 169:sc=-0.000498 (180deg=-0.147) USER MOD Single : A 83 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.5) USER MOD Single : A 88 MET CE :methyl 163:sc= -0.117 (180deg=-1.15) USER MOD Single : A 91 SER OG : rot 170:sc= -1.47! USER MOD Single : A 92 SER OG : rot 75:sc= 0.6 USER MOD Single : A 94 THR OG1 : rot 41:sc= -1.84! USER MOD Single : A 96 GLN : amide:sc= -1.11 X(o=-1.1,f=-1.6!) USER MOD Single : A 105 TYR OH : rot -118:sc= 0.12 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -150:sc= 0.314 USER MOD Single : A 112 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -1.196 10.943 -10.271 1.00 0.00 N ATOM 108 CA PRO A 9 -1.543 9.673 -10.933 1.00 0.00 C ATOM 109 C PRO A 9 -2.374 8.765 -10.028 1.00 0.00 C ATOM 110 O PRO A 9 -2.409 8.953 -8.812 1.00 0.00 O ATOM 111 CB PRO A 9 -0.180 9.027 -11.226 1.00 0.00 C ATOM 112 CG PRO A 9 0.814 10.132 -11.098 1.00 0.00 C ATOM 113 CD PRO A 9 0.254 11.071 -10.074 1.00 0.00 C ATOM 0 HA PRO A 9 -2.149 9.833 -11.825 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.033 8.222 -10.522 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.158 8.591 -12.225 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.786 9.749 -10.787 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.961 10.637 -12.052 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.551 10.791 -9.063 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.595 12.094 -10.234 1.00 0.00 H new ATOM 121 N THR A 10 -3.020 7.766 -10.626 1.00 0.00 N ATOM 122 CA THR A 10 -3.939 6.896 -9.901 1.00 0.00 C ATOM 123 C THR A 10 -3.189 5.767 -9.192 1.00 0.00 C ATOM 124 O THR A 10 -3.785 4.819 -8.678 1.00 0.00 O ATOM 125 CB THR A 10 -5.001 6.308 -10.853 1.00 0.00 C ATOM 126 OG1 THR A 10 -5.402 7.308 -11.803 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.227 5.835 -10.085 1.00 0.00 C ATOM 0 H THR A 10 -2.922 7.540 -11.616 1.00 0.00 H new ATOM 0 HA THR A 10 -4.440 7.502 -9.146 1.00 0.00 H new ATOM 0 HB THR A 10 -4.559 5.454 -11.366 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.075 6.933 -12.408 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.958 5.426 -10.783 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.935 5.064 -9.372 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.668 6.676 -9.550 1.00 0.00 H new ATOM 135 N GLU A 11 -1.874 5.882 -9.161 1.00 0.00 N ATOM 136 CA GLU A 11 -1.039 4.961 -8.415 1.00 0.00 C ATOM 137 C GLU A 11 -0.141 5.759 -7.480 1.00 0.00 C ATOM 138 O GLU A 11 0.447 6.755 -7.893 1.00 0.00 O ATOM 139 CB GLU A 11 -0.192 4.106 -9.365 1.00 0.00 C ATOM 140 CG GLU A 11 0.631 4.916 -10.356 1.00 0.00 C ATOM 141 CD GLU A 11 1.601 4.059 -11.144 1.00 0.00 C ATOM 142 OE1 GLU A 11 1.162 3.359 -12.082 1.00 0.00 O ATOM 143 OE2 GLU A 11 2.808 4.079 -10.825 1.00 0.00 O ATOM 0 H GLU A 11 -1.357 6.613 -9.650 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.671 4.289 -7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.479 3.482 -8.775 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.849 3.434 -9.917 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.039 5.428 -11.046 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.185 5.686 -9.819 1.00 0.00 H new ATOM 150 N PHE A 12 -0.030 5.339 -6.230 1.00 0.00 N ATOM 151 CA PHE A 12 0.762 6.096 -5.272 1.00 0.00 C ATOM 152 C PHE A 12 1.900 5.261 -4.716 1.00 0.00 C ATOM 153 O PHE A 12 1.763 4.055 -4.512 1.00 0.00 O ATOM 154 CB PHE A 12 -0.113 6.664 -4.135 1.00 0.00 C ATOM 155 CG PHE A 12 -0.681 5.660 -3.161 1.00 0.00 C ATOM 156 CD1 PHE A 12 -1.838 4.957 -3.456 1.00 0.00 C ATOM 157 CD2 PHE A 12 -0.076 5.452 -1.930 1.00 0.00 C ATOM 158 CE1 PHE A 12 -2.381 4.067 -2.546 1.00 0.00 C ATOM 159 CE2 PHE A 12 -0.609 4.558 -1.018 1.00 0.00 C ATOM 160 CZ PHE A 12 -1.764 3.867 -1.324 1.00 0.00 C ATOM 0 H PHE A 12 -0.468 4.496 -5.859 1.00 0.00 H new ATOM 0 HA PHE A 12 1.196 6.941 -5.807 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.481 7.386 -3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.942 7.212 -4.583 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.323 5.106 -4.410 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.823 5.995 -1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.285 3.529 -2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.121 4.401 -0.067 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.185 3.173 -0.612 1.00 0.00 H new ATOM 170 N ILE A 13 3.034 5.912 -4.500 1.00 0.00 N ATOM 171 CA ILE A 13 4.186 5.260 -3.914 1.00 0.00 C ATOM 172 C ILE A 13 4.168 5.478 -2.408 1.00 0.00 C ATOM 173 O ILE A 13 4.277 6.608 -1.924 1.00 0.00 O ATOM 174 CB ILE A 13 5.507 5.796 -4.509 1.00 0.00 C ATOM 175 CG1 ILE A 13 5.480 5.692 -6.037 1.00 0.00 C ATOM 176 CG2 ILE A 13 6.691 5.023 -3.942 1.00 0.00 C ATOM 177 CD1 ILE A 13 6.697 6.291 -6.713 1.00 0.00 C ATOM 0 H ILE A 13 3.177 6.897 -4.725 1.00 0.00 H new ATOM 0 HA ILE A 13 4.132 4.195 -4.140 1.00 0.00 H new ATOM 0 HB ILE A 13 5.616 6.846 -4.236 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.399 4.642 -6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.586 6.192 -6.410 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.616 5.410 -4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.715 5.138 -2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.590 3.967 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.605 6.179 -7.793 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.768 7.349 -6.462 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.594 5.776 -6.370 1.00 0.00 H new ATOM 189 N SER A 14 4.014 4.395 -1.683 1.00 0.00 N ATOM 190 CA SER A 14 3.850 4.452 -0.249 1.00 0.00 C ATOM 191 C SER A 14 5.098 3.947 0.456 1.00 0.00 C ATOM 192 O SER A 14 5.642 2.895 0.105 1.00 0.00 O ATOM 193 CB SER A 14 2.638 3.618 0.165 1.00 0.00 C ATOM 194 OG SER A 14 2.458 3.641 1.570 1.00 0.00 O ATOM 0 H SER A 14 3.999 3.451 -2.069 1.00 0.00 H new ATOM 0 HA SER A 14 3.690 5.490 0.043 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.744 4.002 -0.325 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.769 2.589 -0.171 1.00 0.00 H new ATOM 0 HG SER A 14 1.611 3.204 1.799 1.00 0.00 H new ATOM 200 N ARG A 15 5.557 4.704 1.440 1.00 0.00 N ATOM 201 CA ARG A 15 6.649 4.279 2.286 1.00 0.00 C ATOM 202 C ARG A 15 6.060 3.884 3.630 1.00 0.00 C ATOM 203 O ARG A 15 5.501 4.724 4.340 1.00 0.00 O ATOM 204 CB ARG A 15 7.685 5.399 2.474 1.00 0.00 C ATOM 205 CG ARG A 15 8.524 5.716 1.237 1.00 0.00 C ATOM 206 CD ARG A 15 7.705 6.343 0.113 1.00 0.00 C ATOM 207 NE ARG A 15 8.547 6.747 -1.017 1.00 0.00 N ATOM 208 CZ ARG A 15 8.195 7.645 -1.939 1.00 0.00 C ATOM 209 NH1 ARG A 15 6.996 8.218 -1.902 1.00 0.00 N ATOM 210 NH2 ARG A 15 9.045 7.958 -2.910 1.00 0.00 N ATOM 0 H ARG A 15 5.182 5.624 1.670 1.00 0.00 H new ATOM 0 HA ARG A 15 7.166 3.439 1.822 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.166 6.306 2.784 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.355 5.121 3.288 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.331 6.394 1.515 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.989 4.799 0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 15 6.954 5.631 -0.230 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.169 7.212 0.495 1.00 0.00 H new ATOM 0 HE ARG A 15 9.465 6.312 -1.104 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.336 7.972 -1.164 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.736 8.903 -2.611 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.962 7.513 -2.948 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.781 8.644 -3.617 1.00 0.00 H new ATOM 224 N HIS A 16 6.142 2.612 3.963 1.00 0.00 N ATOM 225 CA HIS A 16 5.495 2.112 5.167 1.00 0.00 C ATOM 226 C HIS A 16 6.369 1.092 5.872 1.00 0.00 C ATOM 227 O HIS A 16 7.146 0.390 5.238 1.00 0.00 O ATOM 228 CB HIS A 16 4.115 1.514 4.837 1.00 0.00 C ATOM 229 CG HIS A 16 4.117 0.288 3.970 1.00 0.00 C ATOM 230 ND1 HIS A 16 3.101 -0.644 4.002 1.00 0.00 N ATOM 231 CD2 HIS A 16 4.993 -0.148 3.038 1.00 0.00 C ATOM 232 CE1 HIS A 16 3.357 -1.598 3.127 1.00 0.00 C ATOM 233 NE2 HIS A 16 4.498 -1.322 2.529 1.00 0.00 N ATOM 0 H HIS A 16 6.645 1.907 3.424 1.00 0.00 H new ATOM 0 HA HIS A 16 5.349 2.954 5.844 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.613 1.271 5.774 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.517 2.281 4.345 1.00 0.00 H new ATOM 0 HD1 HIS A 16 2.281 -0.602 4.607 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.913 0.338 2.748 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.736 -2.460 2.934 1.00 0.00 H new ATOM 242 N ASN A 17 6.218 1.001 7.179 1.00 0.00 N ATOM 243 CA ASN A 17 7.032 0.107 7.984 1.00 0.00 C ATOM 244 C ASN A 17 6.531 -1.323 7.821 1.00 0.00 C ATOM 245 O ASN A 17 5.371 -1.533 7.457 1.00 0.00 O ATOM 246 CB ASN A 17 6.993 0.531 9.452 1.00 0.00 C ATOM 247 CG ASN A 17 7.934 -0.283 10.318 1.00 0.00 C ATOM 248 OD1 ASN A 17 8.981 -0.744 9.857 1.00 0.00 O ATOM 249 ND2 ASN A 17 7.566 -0.475 11.570 1.00 0.00 N ATOM 0 H ASN A 17 5.534 1.539 7.711 1.00 0.00 H new ATOM 0 HA ASN A 17 8.067 0.158 7.645 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.255 1.586 9.529 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.976 0.427 9.830 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.156 -1.023 12.197 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.692 -0.076 11.912 1.00 0.00 H new ATOM 256 N ILE A 18 7.408 -2.285 8.127 1.00 0.00 N ATOM 257 CA ILE A 18 7.220 -3.703 7.792 1.00 0.00 C ATOM 258 C ILE A 18 5.858 -4.264 8.199 1.00 0.00 C ATOM 259 O ILE A 18 5.358 -5.185 7.560 1.00 0.00 O ATOM 260 CB ILE A 18 8.327 -4.578 8.421 1.00 0.00 C ATOM 261 CG1 ILE A 18 8.373 -4.384 9.943 1.00 0.00 C ATOM 262 CG2 ILE A 18 9.672 -4.246 7.797 1.00 0.00 C ATOM 263 CD1 ILE A 18 9.368 -5.285 10.642 1.00 0.00 C ATOM 0 H ILE A 18 8.281 -2.099 8.621 1.00 0.00 H new ATOM 0 HA ILE A 18 7.276 -3.741 6.704 1.00 0.00 H new ATOM 0 HB ILE A 18 8.099 -5.625 8.221 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.622 -3.345 10.160 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.380 -4.567 10.354 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.445 -4.868 8.247 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.632 -4.436 6.724 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.904 -3.195 7.971 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.344 -5.091 11.714 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.108 -6.327 10.456 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.369 -5.087 10.260 1.00 0.00 H new ATOM 275 N GLU A 19 5.260 -3.706 9.242 1.00 0.00 N ATOM 276 CA GLU A 19 3.958 -4.170 9.714 1.00 0.00 C ATOM 277 C GLU A 19 2.855 -3.807 8.724 1.00 0.00 C ATOM 278 O GLU A 19 1.743 -4.322 8.804 1.00 0.00 O ATOM 279 CB GLU A 19 3.638 -3.555 11.075 1.00 0.00 C ATOM 280 CG GLU A 19 4.717 -3.792 12.114 1.00 0.00 C ATOM 281 CD GLU A 19 4.389 -3.173 13.455 1.00 0.00 C ATOM 282 OE1 GLU A 19 4.563 -1.947 13.607 1.00 0.00 O ATOM 283 OE2 GLU A 19 3.969 -3.915 14.368 1.00 0.00 O ATOM 0 H GLU A 19 5.653 -2.932 9.778 1.00 0.00 H new ATOM 0 HA GLU A 19 4.004 -5.255 9.806 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.490 -2.482 10.954 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.697 -3.967 11.439 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.863 -4.865 12.241 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.660 -3.383 11.751 1.00 0.00 H new ATOM 290 N GLY A 20 3.175 -2.925 7.785 1.00 0.00 N ATOM 291 CA GLY A 20 2.181 -2.420 6.869 1.00 0.00 C ATOM 292 C GLY A 20 1.727 -1.032 7.264 1.00 0.00 C ATOM 293 O GLY A 20 0.806 -0.477 6.661 1.00 0.00 O ATOM 0 H GLY A 20 4.113 -2.551 7.645 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.591 -2.398 5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.324 -3.094 6.850 1.00 0.00 H new ATOM 297 N ILE A 21 2.408 -0.458 8.251 1.00 0.00 N ATOM 298 CA ILE A 21 1.999 0.821 8.832 1.00 0.00 C ATOM 299 C ILE A 21 2.586 1.973 8.034 1.00 0.00 C ATOM 300 O ILE A 21 3.800 2.050 7.859 1.00 0.00 O ATOM 301 CB ILE A 21 2.464 0.954 10.303 1.00 0.00 C ATOM 302 CG1 ILE A 21 2.006 -0.249 11.136 1.00 0.00 C ATOM 303 CG2 ILE A 21 1.940 2.248 10.914 1.00 0.00 C ATOM 304 CD1 ILE A 21 0.506 -0.344 11.314 1.00 0.00 C ATOM 0 H ILE A 21 3.249 -0.858 8.668 1.00 0.00 H new ATOM 0 HA ILE A 21 0.910 0.855 8.801 1.00 0.00 H new ATOM 0 HB ILE A 21 3.554 0.979 10.310 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.363 -1.163 10.661 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.475 -0.196 12.119 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.277 2.325 11.948 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.318 3.098 10.346 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.850 2.248 10.886 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.266 -1.221 11.914 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.142 0.551 11.818 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.029 -0.430 10.338 1.00 0.00 H new ATOM 316 N PHE A 22 1.736 2.864 7.559 1.00 0.00 N ATOM 317 CA PHE A 22 2.178 3.963 6.709 1.00 0.00 C ATOM 318 C PHE A 22 2.951 5.010 7.506 1.00 0.00 C ATOM 319 O PHE A 22 2.478 5.496 8.537 1.00 0.00 O ATOM 320 CB PHE A 22 0.979 4.606 6.017 1.00 0.00 C ATOM 321 CG PHE A 22 0.191 3.640 5.179 1.00 0.00 C ATOM 322 CD1 PHE A 22 0.612 3.307 3.904 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.966 3.057 5.669 1.00 0.00 C ATOM 324 CE1 PHE A 22 -0.104 2.414 3.130 1.00 0.00 C ATOM 325 CE2 PHE A 22 -1.687 2.164 4.900 1.00 0.00 C ATOM 326 CZ PHE A 22 -1.254 1.842 3.631 1.00 0.00 C ATOM 0 H PHE A 22 0.733 2.851 7.745 1.00 0.00 H new ATOM 0 HA PHE A 22 2.851 3.554 5.955 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.323 5.042 6.771 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.327 5.424 5.386 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.513 3.751 3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.308 3.303 6.663 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.236 2.165 2.136 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.589 1.718 5.292 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.815 1.142 3.030 1.00 0.00 H new ATOM 336 N THR A 23 4.146 5.340 7.025 1.00 0.00 N ATOM 337 CA THR A 23 4.987 6.341 7.665 1.00 0.00 C ATOM 338 C THR A 23 5.120 7.588 6.789 1.00 0.00 C ATOM 339 O THR A 23 5.187 8.710 7.295 1.00 0.00 O ATOM 340 CB THR A 23 6.390 5.776 7.978 1.00 0.00 C ATOM 341 OG1 THR A 23 6.945 5.152 6.813 1.00 0.00 O ATOM 342 CG2 THR A 23 6.330 4.767 9.115 1.00 0.00 C ATOM 0 H THR A 23 4.554 4.924 6.188 1.00 0.00 H new ATOM 0 HA THR A 23 4.504 6.617 8.602 1.00 0.00 H new ATOM 0 HB THR A 23 7.026 6.607 8.282 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.328 5.260 6.059 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.331 4.385 9.315 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.940 5.251 10.011 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.676 3.942 8.835 1.00 0.00 H new ATOM 350 N PHE A 24 5.155 7.389 5.475 1.00 0.00 N ATOM 351 CA PHE A 24 5.222 8.497 4.529 1.00 0.00 C ATOM 352 C PHE A 24 4.421 8.164 3.273 1.00 0.00 C ATOM 353 O PHE A 24 4.689 7.168 2.599 1.00 0.00 O ATOM 354 CB PHE A 24 6.681 8.800 4.170 1.00 0.00 C ATOM 355 CG PHE A 24 6.861 10.012 3.295 1.00 0.00 C ATOM 356 CD1 PHE A 24 6.897 11.282 3.847 1.00 0.00 C ATOM 357 CD2 PHE A 24 7.006 9.879 1.924 1.00 0.00 C ATOM 358 CE1 PHE A 24 7.070 12.395 3.047 1.00 0.00 C ATOM 359 CE2 PHE A 24 7.177 10.989 1.118 1.00 0.00 C ATOM 360 CZ PHE A 24 7.210 12.248 1.682 1.00 0.00 C ATOM 0 H PHE A 24 5.138 6.467 5.040 1.00 0.00 H new ATOM 0 HA PHE A 24 4.789 9.383 4.993 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.248 8.942 5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.107 7.934 3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.789 11.403 4.915 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.985 8.895 1.479 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.096 13.380 3.490 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.284 10.871 0.050 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.345 13.117 1.056 1.00 0.00 H new ATOM 370 N VAL A 25 3.440 8.998 2.962 1.00 0.00 N ATOM 371 CA VAL A 25 2.563 8.758 1.822 1.00 0.00 C ATOM 372 C VAL A 25 2.607 9.926 0.844 1.00 0.00 C ATOM 373 O VAL A 25 2.621 11.091 1.248 1.00 0.00 O ATOM 374 CB VAL A 25 1.099 8.529 2.264 1.00 0.00 C ATOM 375 CG1 VAL A 25 0.183 8.351 1.061 1.00 0.00 C ATOM 376 CG2 VAL A 25 0.999 7.330 3.192 1.00 0.00 C ATOM 0 H VAL A 25 3.230 9.849 3.483 1.00 0.00 H new ATOM 0 HA VAL A 25 2.928 7.856 1.331 1.00 0.00 H new ATOM 0 HB VAL A 25 0.772 9.415 2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.840 8.192 1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.222 9.245 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.510 7.489 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.039 7.187 3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.354 6.439 2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.611 7.503 4.077 1.00 0.00 H new ATOM 386 N ASP A 26 2.651 9.605 -0.443 1.00 0.00 N ATOM 387 CA ASP A 26 2.628 10.606 -1.500 1.00 0.00 C ATOM 388 C ASP A 26 1.194 11.068 -1.779 1.00 0.00 C ATOM 389 O ASP A 26 0.238 10.310 -1.609 1.00 0.00 O ATOM 390 CB ASP A 26 3.243 10.012 -2.769 1.00 0.00 C ATOM 391 CG ASP A 26 3.395 11.030 -3.881 1.00 0.00 C ATOM 392 OD1 ASP A 26 2.377 11.409 -4.487 1.00 0.00 O ATOM 393 OD2 ASP A 26 4.536 11.466 -4.139 1.00 0.00 O ATOM 0 H ASP A 26 2.704 8.645 -0.782 1.00 0.00 H new ATOM 0 HA ASP A 26 3.208 11.472 -1.181 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.220 9.592 -2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.619 9.189 -3.119 1.00 0.00 H new ATOM 398 N HIS A 27 1.071 12.331 -2.195 1.00 0.00 N ATOM 399 CA HIS A 27 -0.221 12.964 -2.497 1.00 0.00 C ATOM 400 C HIS A 27 -1.075 12.163 -3.475 1.00 0.00 C ATOM 401 O HIS A 27 -2.287 12.362 -3.529 1.00 0.00 O ATOM 402 CB HIS A 27 0.000 14.357 -3.080 1.00 0.00 C ATOM 403 CG HIS A 27 0.406 15.399 -2.084 1.00 0.00 C ATOM 404 ND1 HIS A 27 1.273 16.426 -2.386 1.00 0.00 N ATOM 405 CD2 HIS A 27 0.033 15.595 -0.800 1.00 0.00 C ATOM 406 CE1 HIS A 27 1.416 17.205 -1.332 1.00 0.00 C ATOM 407 NE2 HIS A 27 0.674 16.722 -0.354 1.00 0.00 N ATOM 0 H HIS A 27 1.870 12.950 -2.334 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.758 13.014 -1.550 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.767 14.295 -3.852 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -0.919 14.681 -3.569 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.645 14.977 -0.230 1.00 0.00 H new ATOM 0 HE1 HIS A 27 2.035 18.088 -1.278 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.591 17.122 0.581 1.00 0.00 H new ATOM 416 N ARG A 28 -0.455 11.277 -4.246 1.00 0.00 N ATOM 417 CA ARG A 28 -1.185 10.434 -5.198 1.00 0.00 C ATOM 418 C ARG A 28 -2.266 9.599 -4.501 1.00 0.00 C ATOM 419 O ARG A 28 -3.183 9.098 -5.150 1.00 0.00 O ATOM 420 CB ARG A 28 -0.227 9.492 -5.919 1.00 0.00 C ATOM 421 CG ARG A 28 0.874 10.179 -6.703 1.00 0.00 C ATOM 422 CD ARG A 28 1.894 9.160 -7.169 1.00 0.00 C ATOM 423 NE ARG A 28 2.990 9.743 -7.932 1.00 0.00 N ATOM 424 CZ ARG A 28 3.821 9.020 -8.679 1.00 0.00 C ATOM 425 NH1 ARG A 28 3.610 7.713 -8.820 1.00 0.00 N ATOM 426 NH2 ARG A 28 4.841 9.597 -9.300 1.00 0.00 N ATOM 0 H ARG A 28 0.553 11.120 -4.234 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.664 11.101 -5.915 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.230 8.829 -5.184 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.801 8.865 -6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.450 10.699 -7.562 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.358 10.932 -6.081 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.301 8.642 -6.301 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.393 8.410 -7.782 1.00 0.00 H new ATOM 0 HE ARG A 28 3.127 10.753 -7.892 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.815 7.272 -8.357 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.243 7.153 -9.391 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.993 10.601 -9.207 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.474 9.036 -9.871 1.00 0.00 H new ATOM 440 N CYS A 29 -2.146 9.461 -3.182 1.00 0.00 N ATOM 441 CA CYS A 29 -3.051 8.632 -2.391 1.00 0.00 C ATOM 442 C CYS A 29 -4.519 9.014 -2.599 1.00 0.00 C ATOM 443 O CYS A 29 -5.397 8.145 -2.602 1.00 0.00 O ATOM 444 CB CYS A 29 -2.689 8.732 -0.910 1.00 0.00 C ATOM 445 SG CYS A 29 -3.560 7.553 0.145 1.00 0.00 S ATOM 0 H CYS A 29 -1.419 9.920 -2.633 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.932 7.603 -2.731 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.616 8.579 -0.799 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.904 9.742 -0.562 1.00 0.00 H new ATOM 0 HG CYS A 29 -3.528 7.967 1.377 1.00 0.00 H new ATOM 451 N VAL A 30 -4.787 10.305 -2.790 1.00 0.00 N ATOM 452 CA VAL A 30 -6.155 10.771 -2.968 1.00 0.00 C ATOM 453 C VAL A 30 -6.732 10.281 -4.285 1.00 0.00 C ATOM 454 O VAL A 30 -7.930 10.036 -4.396 1.00 0.00 O ATOM 455 CB VAL A 30 -6.267 12.305 -2.916 1.00 0.00 C ATOM 456 CG1 VAL A 30 -5.959 12.817 -1.522 1.00 0.00 C ATOM 457 CG2 VAL A 30 -5.353 12.960 -3.941 1.00 0.00 C ATOM 0 H VAL A 30 -4.079 11.039 -2.825 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.725 10.357 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.294 12.573 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.044 13.904 -1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.666 12.388 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.945 12.528 -1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.455 14.043 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.319 12.681 -3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.629 12.626 -4.941 1.00 0.00 H new ATOM 467 N ALA A 31 -5.872 10.129 -5.275 1.00 0.00 N ATOM 468 CA ALA A 31 -6.308 9.657 -6.577 1.00 0.00 C ATOM 469 C ALA A 31 -6.639 8.176 -6.527 1.00 0.00 C ATOM 470 O ALA A 31 -7.720 7.758 -6.941 1.00 0.00 O ATOM 471 CB ALA A 31 -5.238 9.919 -7.624 1.00 0.00 C ATOM 0 H ALA A 31 -4.873 10.324 -5.204 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.209 10.205 -6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.582 9.559 -8.594 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.041 10.989 -7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.322 9.397 -7.347 1.00 0.00 H new ATOM 477 N THR A 32 -5.708 7.388 -6.019 1.00 0.00 N ATOM 478 CA THR A 32 -5.897 5.954 -5.903 1.00 0.00 C ATOM 479 C THR A 32 -7.062 5.577 -4.986 1.00 0.00 C ATOM 480 O THR A 32 -7.979 4.871 -5.405 1.00 0.00 O ATOM 481 CB THR A 32 -4.613 5.288 -5.389 1.00 0.00 C ATOM 482 OG1 THR A 32 -3.489 5.797 -6.112 1.00 0.00 O ATOM 483 CG2 THR A 32 -4.676 3.780 -5.556 1.00 0.00 C ATOM 0 H THR A 32 -4.806 7.721 -5.678 1.00 0.00 H new ATOM 0 HA THR A 32 -6.137 5.593 -6.903 1.00 0.00 H new ATOM 0 HB THR A 32 -4.510 5.515 -4.328 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.135 6.587 -5.652 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.754 3.334 -5.184 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.522 3.387 -4.993 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.797 3.536 -6.611 1.00 0.00 H new ATOM 491 N VAL A 33 -7.042 6.045 -3.740 1.00 0.00 N ATOM 492 CA VAL A 33 -8.004 5.559 -2.754 1.00 0.00 C ATOM 493 C VAL A 33 -8.595 6.677 -1.899 1.00 0.00 C ATOM 494 O VAL A 33 -9.064 6.430 -0.791 1.00 0.00 O ATOM 495 CB VAL A 33 -7.376 4.493 -1.833 1.00 0.00 C ATOM 496 CG1 VAL A 33 -7.104 3.216 -2.612 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.099 5.014 -1.191 1.00 0.00 C ATOM 0 H VAL A 33 -6.386 6.745 -3.394 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.814 5.112 -3.330 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.085 4.268 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.661 2.473 -1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.040 2.830 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.416 3.429 -3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.675 4.244 -0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.380 5.272 -1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.325 5.900 -0.597 1.00 0.00 H new ATOM 507 N GLY A 34 -8.566 7.896 -2.409 1.00 0.00 N ATOM 508 CA GLY A 34 -9.247 9.002 -1.747 1.00 0.00 C ATOM 509 C GLY A 34 -8.543 9.537 -0.505 1.00 0.00 C ATOM 510 O GLY A 34 -8.721 10.705 -0.153 1.00 0.00 O ATOM 0 H GLY A 34 -8.083 8.147 -3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.363 9.818 -2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.249 8.678 -1.468 1.00 0.00 H new ATOM 514 N TYR A 35 -7.758 8.701 0.165 1.00 0.00 N ATOM 515 CA TYR A 35 -7.133 9.097 1.423 1.00 0.00 C ATOM 516 C TYR A 35 -6.035 10.121 1.197 1.00 0.00 C ATOM 517 O TYR A 35 -5.338 10.100 0.188 1.00 0.00 O ATOM 518 CB TYR A 35 -6.534 7.895 2.168 1.00 0.00 C ATOM 519 CG TYR A 35 -7.539 6.840 2.578 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.764 7.197 3.114 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.245 5.486 2.456 1.00 0.00 C ATOM 522 CE1 TYR A 35 -9.676 6.243 3.510 1.00 0.00 C ATOM 523 CE2 TYR A 35 -8.151 4.524 2.851 1.00 0.00 C ATOM 524 CZ TYR A 35 -9.367 4.909 3.380 1.00 0.00 C ATOM 525 OH TYR A 35 -10.282 3.961 3.770 1.00 0.00 O ATOM 0 H TYR A 35 -7.540 7.752 -0.138 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.925 9.536 2.031 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.779 7.431 1.533 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.022 8.256 3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -9.010 8.243 3.224 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.293 5.183 2.046 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.629 6.541 3.921 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.911 3.476 2.747 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.987 3.546 4.607 1.00 0.00 H new ATOM 535 N GLN A 36 -5.897 11.018 2.150 1.00 0.00 N ATOM 536 CA GLN A 36 -4.795 11.953 2.151 1.00 0.00 C ATOM 537 C GLN A 36 -3.641 11.320 2.905 1.00 0.00 C ATOM 538 O GLN A 36 -3.879 10.506 3.797 1.00 0.00 O ATOM 539 CB GLN A 36 -5.200 13.268 2.821 1.00 0.00 C ATOM 540 CG GLN A 36 -6.444 13.907 2.226 1.00 0.00 C ATOM 541 CD GLN A 36 -6.125 15.087 1.332 1.00 0.00 C ATOM 542 OE1 GLN A 36 -6.924 16.010 1.192 1.00 0.00 O ATOM 543 NE2 GLN A 36 -4.950 15.072 0.732 1.00 0.00 N ATOM 0 H GLN A 36 -6.538 11.119 2.937 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.503 12.178 1.125 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.370 13.086 3.882 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.371 13.972 2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.992 13.160 1.652 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.100 14.234 3.032 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.315 14.287 0.874 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.677 15.846 0.126 1.00 0.00 H new ATOM 552 N PRO A 37 -2.387 11.661 2.559 1.00 0.00 N ATOM 553 CA PRO A 37 -1.207 11.072 3.203 1.00 0.00 C ATOM 554 C PRO A 37 -1.351 11.006 4.720 1.00 0.00 C ATOM 555 O PRO A 37 -1.208 9.943 5.318 1.00 0.00 O ATOM 556 CB PRO A 37 -0.091 12.032 2.806 1.00 0.00 C ATOM 557 CG PRO A 37 -0.515 12.573 1.483 1.00 0.00 C ATOM 558 CD PRO A 37 -2.018 12.630 1.512 1.00 0.00 C ATOM 0 HA PRO A 37 -1.033 10.041 2.895 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.027 12.828 3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.868 11.518 2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.092 13.563 1.314 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.166 11.934 0.672 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.376 13.632 1.750 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.447 12.359 0.547 1.00 0.00 H new ATOM 566 N GLN A 38 -1.703 12.144 5.311 1.00 0.00 N ATOM 567 CA GLN A 38 -1.916 12.251 6.753 1.00 0.00 C ATOM 568 C GLN A 38 -2.939 11.229 7.245 1.00 0.00 C ATOM 569 O GLN A 38 -2.697 10.518 8.220 1.00 0.00 O ATOM 570 CB GLN A 38 -2.412 13.649 7.112 1.00 0.00 C ATOM 571 CG GLN A 38 -1.436 14.768 6.795 1.00 0.00 C ATOM 572 CD GLN A 38 -0.238 14.783 7.720 1.00 0.00 C ATOM 573 OE1 GLN A 38 -0.289 15.367 8.801 1.00 0.00 O ATOM 574 NE2 GLN A 38 0.854 14.177 7.296 1.00 0.00 N ATOM 0 H GLN A 38 -1.849 13.018 4.805 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.959 12.055 7.237 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.345 13.837 6.580 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.642 13.676 8.177 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.093 14.664 5.766 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.953 15.725 6.863 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.856 13.703 6.393 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.696 14.182 7.871 1.00 0.00 H new ATOM 583 N GLU A 39 -4.058 11.133 6.531 1.00 0.00 N ATOM 584 CA GLU A 39 -5.194 10.326 6.966 1.00 0.00 C ATOM 585 C GLU A 39 -4.839 8.848 6.961 1.00 0.00 C ATOM 586 O GLU A 39 -5.469 8.039 7.646 1.00 0.00 O ATOM 587 CB GLU A 39 -6.393 10.578 6.048 1.00 0.00 C ATOM 588 CG GLU A 39 -6.796 12.040 5.958 1.00 0.00 C ATOM 589 CD GLU A 39 -7.234 12.609 7.290 1.00 0.00 C ATOM 590 OE1 GLU A 39 -6.361 13.006 8.090 1.00 0.00 O ATOM 591 OE2 GLU A 39 -8.453 12.647 7.552 1.00 0.00 O ATOM 0 H GLU A 39 -4.202 11.609 5.641 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.453 10.614 7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.157 10.213 5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.243 9.997 6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.956 12.621 5.578 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.608 12.145 5.238 1.00 0.00 H new ATOM 598 N LEU A 40 -3.832 8.507 6.176 1.00 0.00 N ATOM 599 CA LEU A 40 -3.373 7.140 6.067 1.00 0.00 C ATOM 600 C LEU A 40 -2.280 6.865 7.100 1.00 0.00 C ATOM 601 O LEU A 40 -2.152 5.748 7.606 1.00 0.00 O ATOM 602 CB LEU A 40 -2.853 6.906 4.645 1.00 0.00 C ATOM 603 CG LEU A 40 -2.777 5.448 4.196 1.00 0.00 C ATOM 604 CD1 LEU A 40 -4.145 4.790 4.277 1.00 0.00 C ATOM 605 CD2 LEU A 40 -2.233 5.366 2.778 1.00 0.00 C ATOM 0 H LEU A 40 -3.313 9.170 5.600 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.197 6.455 6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.495 7.447 3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.858 7.343 4.566 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.101 4.914 4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.069 3.752 3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.505 4.824 5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.843 5.322 3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.183 4.322 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.891 5.914 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.235 5.803 2.745 1.00 0.00 H new ATOM 617 N LEU A 41 -1.496 7.898 7.415 1.00 0.00 N ATOM 618 CA LEU A 41 -0.417 7.777 8.392 1.00 0.00 C ATOM 619 C LEU A 41 -0.961 7.374 9.756 1.00 0.00 C ATOM 620 O LEU A 41 -1.788 8.076 10.340 1.00 0.00 O ATOM 621 CB LEU A 41 0.359 9.092 8.519 1.00 0.00 C ATOM 622 CG LEU A 41 0.945 9.640 7.219 1.00 0.00 C ATOM 623 CD1 LEU A 41 1.680 10.947 7.474 1.00 0.00 C ATOM 624 CD2 LEU A 41 1.872 8.624 6.579 1.00 0.00 C ATOM 0 H LEU A 41 -1.590 8.828 7.006 1.00 0.00 H new ATOM 0 HA LEU A 41 0.260 7.000 8.036 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.305 9.845 8.944 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.172 8.946 9.230 1.00 0.00 H new ATOM 0 HG LEU A 41 0.124 9.835 6.529 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.091 11.322 6.537 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.986 11.680 7.886 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.490 10.776 8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.279 9.034 5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.688 8.394 7.264 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.316 7.713 6.358 1.00 0.00 H new ATOM 636 N GLY A 42 -0.498 6.239 10.254 1.00 0.00 N ATOM 637 CA GLY A 42 -0.944 5.761 11.546 1.00 0.00 C ATOM 638 C GLY A 42 -1.778 4.507 11.420 1.00 0.00 C ATOM 639 O GLY A 42 -1.952 3.761 12.383 1.00 0.00 O ATOM 0 H GLY A 42 0.180 5.638 9.786 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.079 5.561 12.178 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.527 6.538 12.040 1.00 0.00 H new ATOM 643 N LYS A 43 -2.286 4.276 10.222 1.00 0.00 N ATOM 644 CA LYS A 43 -3.085 3.102 9.935 1.00 0.00 C ATOM 645 C LYS A 43 -2.246 2.039 9.248 1.00 0.00 C ATOM 646 O LYS A 43 -1.221 2.341 8.633 1.00 0.00 O ATOM 647 CB LYS A 43 -4.256 3.483 9.033 1.00 0.00 C ATOM 648 CG LYS A 43 -5.339 4.301 9.724 1.00 0.00 C ATOM 649 CD LYS A 43 -6.387 3.410 10.383 1.00 0.00 C ATOM 650 CE LYS A 43 -5.855 2.715 11.626 1.00 0.00 C ATOM 651 NZ LYS A 43 -5.744 3.647 12.778 1.00 0.00 N ATOM 0 H LYS A 43 -2.155 4.897 9.423 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.460 2.701 10.877 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.875 4.050 8.183 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.703 2.573 8.634 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.884 4.945 10.477 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.822 4.953 8.996 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.256 4.011 10.650 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.725 2.661 9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.515 1.889 11.890 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.876 2.286 11.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.459 3.118 13.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.031 4.375 12.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.664 4.102 12.947 1.00 0.00 H new ATOM 665 N ASN A 44 -2.668 0.798 9.386 1.00 0.00 N ATOM 666 CA ASN A 44 -2.084 -0.294 8.632 1.00 0.00 C ATOM 667 C ASN A 44 -2.859 -0.463 7.337 1.00 0.00 C ATOM 668 O ASN A 44 -4.075 -0.266 7.306 1.00 0.00 O ATOM 669 CB ASN A 44 -2.139 -1.593 9.448 1.00 0.00 C ATOM 670 CG ASN A 44 -1.189 -2.660 8.931 1.00 0.00 C ATOM 671 OD1 ASN A 44 -0.982 -2.798 7.728 1.00 0.00 O ATOM 672 ND2 ASN A 44 -0.587 -3.411 9.840 1.00 0.00 N ATOM 0 H ASN A 44 -3.419 0.519 10.018 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.040 -0.069 8.413 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.898 -1.373 10.488 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.157 -1.982 9.433 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.073 -4.132 9.550 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.783 -3.268 10.831 1.00 0.00 H new ATOM 679 N ILE A 45 -2.153 -0.809 6.269 1.00 0.00 N ATOM 680 CA ILE A 45 -2.781 -1.101 4.986 1.00 0.00 C ATOM 681 C ILE A 45 -3.791 -2.238 5.144 1.00 0.00 C ATOM 682 O ILE A 45 -4.798 -2.291 4.446 1.00 0.00 O ATOM 683 CB ILE A 45 -1.713 -1.467 3.925 1.00 0.00 C ATOM 684 CG1 ILE A 45 -2.359 -1.796 2.577 1.00 0.00 C ATOM 685 CG2 ILE A 45 -0.852 -2.629 4.404 1.00 0.00 C ATOM 686 CD1 ILE A 45 -1.354 -2.049 1.474 1.00 0.00 C ATOM 0 H ILE A 45 -1.137 -0.895 6.266 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.307 -0.209 4.645 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.072 -0.597 3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.991 -2.676 2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.009 -0.972 2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.109 -2.869 3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.347 -2.351 5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.483 -3.500 4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.881 -2.276 0.547 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.737 -1.161 1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.719 -2.892 1.747 1.00 0.00 H new ATOM 698 N VAL A 46 -3.514 -3.129 6.093 1.00 0.00 N ATOM 699 CA VAL A 46 -4.412 -4.217 6.447 1.00 0.00 C ATOM 700 C VAL A 46 -5.756 -3.686 6.968 1.00 0.00 C ATOM 701 O VAL A 46 -6.803 -4.292 6.738 1.00 0.00 O ATOM 702 CB VAL A 46 -3.753 -5.124 7.512 1.00 0.00 C ATOM 703 CG1 VAL A 46 -4.699 -6.217 7.982 1.00 0.00 C ATOM 704 CG2 VAL A 46 -2.469 -5.733 6.968 1.00 0.00 C ATOM 0 H VAL A 46 -2.653 -3.113 6.640 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.606 -4.799 5.546 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.514 -4.501 8.374 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.200 -6.833 8.730 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.589 -5.765 8.420 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.988 -6.838 7.134 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.017 -6.369 7.729 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.695 -6.330 6.084 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.774 -4.937 6.700 1.00 0.00 H new ATOM 714 N GLU A 47 -5.724 -2.537 7.645 1.00 0.00 N ATOM 715 CA GLU A 47 -6.939 -1.918 8.176 1.00 0.00 C ATOM 716 C GLU A 47 -7.884 -1.511 7.054 1.00 0.00 C ATOM 717 O GLU A 47 -9.108 -1.586 7.193 1.00 0.00 O ATOM 718 CB GLU A 47 -6.590 -0.690 9.019 1.00 0.00 C ATOM 719 CG GLU A 47 -5.957 -1.026 10.356 1.00 0.00 C ATOM 720 CD GLU A 47 -6.951 -1.622 11.329 1.00 0.00 C ATOM 721 OE1 GLU A 47 -7.276 -2.821 11.195 1.00 0.00 O ATOM 722 OE2 GLU A 47 -7.414 -0.894 12.231 1.00 0.00 O ATOM 0 H GLU A 47 -4.869 -2.016 7.839 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.439 -2.657 8.803 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.908 -0.055 8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.496 -0.110 9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.138 -1.728 10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.526 -0.123 10.788 1.00 0.00 H new ATOM 729 N PHE A 48 -7.314 -1.079 5.942 1.00 0.00 N ATOM 730 CA PHE A 48 -8.106 -0.686 4.787 1.00 0.00 C ATOM 731 C PHE A 48 -8.022 -1.749 3.712 1.00 0.00 C ATOM 732 O PHE A 48 -8.337 -1.501 2.550 1.00 0.00 O ATOM 733 CB PHE A 48 -7.643 0.661 4.239 1.00 0.00 C ATOM 734 CG PHE A 48 -7.718 1.768 5.246 1.00 0.00 C ATOM 735 CD1 PHE A 48 -8.936 2.146 5.790 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.572 2.428 5.650 1.00 0.00 C ATOM 737 CE1 PHE A 48 -9.006 3.164 6.719 1.00 0.00 C ATOM 738 CE2 PHE A 48 -6.637 3.448 6.575 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.855 3.817 7.111 1.00 0.00 C ATOM 0 H PHE A 48 -6.306 -0.991 5.814 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.144 -0.583 5.103 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.616 0.568 3.887 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.254 0.923 3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.839 1.639 5.484 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.616 2.141 5.237 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.959 3.449 7.138 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.736 3.958 6.880 1.00 0.00 H new ATOM 0 HZ PHE A 48 -7.907 4.616 7.836 1.00 0.00 H new ATOM 749 N CYS A 49 -7.585 -2.929 4.114 1.00 0.00 N ATOM 750 CA CYS A 49 -7.530 -4.067 3.223 1.00 0.00 C ATOM 751 C CYS A 49 -8.795 -4.895 3.368 1.00 0.00 C ATOM 752 O CYS A 49 -9.243 -5.162 4.487 1.00 0.00 O ATOM 753 CB CYS A 49 -6.307 -4.929 3.540 1.00 0.00 C ATOM 754 SG CYS A 49 -6.212 -6.454 2.581 1.00 0.00 S ATOM 0 H CYS A 49 -7.261 -3.122 5.062 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.450 -3.707 2.197 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.406 -4.343 3.360 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.318 -5.180 4.601 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.740 -6.194 1.398 1.00 0.00 H new ATOM 760 N HIS A 50 -9.382 -5.255 2.228 1.00 0.00 N ATOM 761 CA HIS A 50 -10.541 -6.139 2.195 1.00 0.00 C ATOM 762 C HIS A 50 -10.325 -7.328 3.133 1.00 0.00 C ATOM 763 O HIS A 50 -9.312 -8.018 3.038 1.00 0.00 O ATOM 764 CB HIS A 50 -10.801 -6.599 0.751 1.00 0.00 C ATOM 765 CG HIS A 50 -11.809 -7.697 0.617 1.00 0.00 C ATOM 766 ND1 HIS A 50 -13.141 -7.559 0.950 1.00 0.00 N ATOM 767 CD2 HIS A 50 -11.664 -8.975 0.199 1.00 0.00 C ATOM 768 CE1 HIS A 50 -13.762 -8.704 0.748 1.00 0.00 C ATOM 769 NE2 HIS A 50 -12.890 -9.572 0.291 1.00 0.00 N ATOM 0 H HIS A 50 -9.069 -4.944 1.308 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.422 -5.599 2.543 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -11.137 -5.743 0.166 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.859 -6.933 0.315 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -10.750 -9.437 -0.144 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -14.810 -8.895 0.928 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -13.095 -10.540 0.043 1.00 0.00 H new ATOM 778 N PRO A 51 -11.279 -7.556 4.056 1.00 0.00 N ATOM 779 CA PRO A 51 -11.146 -8.529 5.157 1.00 0.00 C ATOM 780 C PRO A 51 -10.675 -9.920 4.734 1.00 0.00 C ATOM 781 O PRO A 51 -10.081 -10.639 5.533 1.00 0.00 O ATOM 782 CB PRO A 51 -12.563 -8.604 5.726 1.00 0.00 C ATOM 783 CG PRO A 51 -13.142 -7.266 5.444 1.00 0.00 C ATOM 784 CD PRO A 51 -12.572 -6.845 4.120 1.00 0.00 C ATOM 0 HA PRO A 51 -10.379 -8.205 5.861 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -13.141 -9.396 5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.552 -8.815 6.795 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -14.230 -7.311 5.405 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.881 -6.554 6.227 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -13.226 -7.127 3.294 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.438 -5.765 4.066 1.00 0.00 H new ATOM 792 N GLU A 52 -10.918 -10.300 3.487 1.00 0.00 N ATOM 793 CA GLU A 52 -10.530 -11.625 3.021 1.00 0.00 C ATOM 794 C GLU A 52 -9.079 -11.650 2.555 1.00 0.00 C ATOM 795 O GLU A 52 -8.517 -12.720 2.333 1.00 0.00 O ATOM 796 CB GLU A 52 -11.418 -12.086 1.876 1.00 0.00 C ATOM 797 CG GLU A 52 -12.878 -12.249 2.242 1.00 0.00 C ATOM 798 CD GLU A 52 -13.685 -12.750 1.067 1.00 0.00 C ATOM 799 OE1 GLU A 52 -13.816 -12.004 0.081 1.00 0.00 O ATOM 800 OE2 GLU A 52 -14.172 -13.895 1.114 1.00 0.00 O ATOM 0 H GLU A 52 -11.377 -9.717 2.787 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.647 -12.301 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.339 -11.368 1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.042 -13.038 1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -12.971 -12.947 3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.279 -11.294 2.581 1.00 0.00 H new ATOM 807 N ASP A 53 -8.465 -10.480 2.434 1.00 0.00 N ATOM 808 CA ASP A 53 -7.136 -10.375 1.833 1.00 0.00 C ATOM 809 C ASP A 53 -6.099 -10.047 2.897 1.00 0.00 C ATOM 810 O ASP A 53 -4.906 -10.024 2.622 1.00 0.00 O ATOM 811 CB ASP A 53 -7.102 -9.286 0.747 1.00 0.00 C ATOM 812 CG ASP A 53 -8.187 -9.438 -0.302 1.00 0.00 C ATOM 813 OD1 ASP A 53 -8.469 -10.580 -0.719 1.00 0.00 O ATOM 814 OD2 ASP A 53 -8.766 -8.407 -0.713 1.00 0.00 O ATOM 0 H ASP A 53 -8.862 -9.592 2.742 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.904 -11.337 1.376 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.201 -8.309 1.221 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.129 -9.305 0.256 1.00 0.00 H new ATOM 819 N GLN A 54 -6.559 -9.814 4.118 1.00 0.00 N ATOM 820 CA GLN A 54 -5.683 -9.409 5.213 1.00 0.00 C ATOM 821 C GLN A 54 -4.598 -10.448 5.485 1.00 0.00 C ATOM 822 O GLN A 54 -3.449 -10.106 5.766 1.00 0.00 O ATOM 823 CB GLN A 54 -6.510 -9.157 6.469 1.00 0.00 C ATOM 824 CG GLN A 54 -7.317 -7.870 6.406 1.00 0.00 C ATOM 825 CD GLN A 54 -8.228 -7.683 7.600 1.00 0.00 C ATOM 826 OE1 GLN A 54 -7.976 -8.212 8.686 1.00 0.00 O ATOM 827 NE2 GLN A 54 -9.278 -6.899 7.420 1.00 0.00 N ATOM 0 H GLN A 54 -7.542 -9.899 4.378 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.181 -8.487 4.920 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.188 -9.996 6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.846 -9.120 7.332 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.634 -7.023 6.341 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.916 -7.868 5.495 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.451 -6.481 6.506 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.914 -6.713 8.195 1.00 0.00 H new ATOM 836 N GLN A 55 -4.964 -11.716 5.393 1.00 0.00 N ATOM 837 CA GLN A 55 -4.005 -12.801 5.562 1.00 0.00 C ATOM 838 C GLN A 55 -3.041 -12.810 4.374 1.00 0.00 C ATOM 839 O GLN A 55 -1.840 -13.029 4.527 1.00 0.00 O ATOM 840 CB GLN A 55 -4.747 -14.136 5.656 1.00 0.00 C ATOM 841 CG GLN A 55 -4.092 -15.177 6.556 1.00 0.00 C ATOM 842 CD GLN A 55 -2.718 -15.607 6.083 1.00 0.00 C ATOM 843 OE1 GLN A 55 -2.589 -16.519 5.266 1.00 0.00 O ATOM 844 NE2 GLN A 55 -1.686 -14.984 6.623 1.00 0.00 N ATOM 0 H GLN A 55 -5.918 -12.022 5.202 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.438 -12.653 6.481 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.757 -13.948 6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.842 -14.553 4.653 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.010 -14.773 7.565 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.738 -16.053 6.615 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.839 -14.233 7.296 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.736 -15.254 6.367 1.00 0.00 H new ATOM 853 N LEU A 56 -3.589 -12.536 3.199 1.00 0.00 N ATOM 854 CA LEU A 56 -2.827 -12.514 1.964 1.00 0.00 C ATOM 855 C LEU A 56 -1.755 -11.436 2.047 1.00 0.00 C ATOM 856 O LEU A 56 -0.609 -11.655 1.667 1.00 0.00 O ATOM 857 CB LEU A 56 -3.790 -12.253 0.800 1.00 0.00 C ATOM 858 CG LEU A 56 -3.306 -12.651 -0.599 1.00 0.00 C ATOM 859 CD1 LEU A 56 -4.478 -12.687 -1.565 1.00 0.00 C ATOM 860 CD2 LEU A 56 -2.245 -11.691 -1.109 1.00 0.00 C ATOM 0 H LEU A 56 -4.579 -12.322 3.078 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.329 -13.470 1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.720 -12.785 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.028 -11.189 0.788 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.861 -13.644 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.124 -12.971 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.212 -13.415 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.940 -11.701 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.922 -12.000 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.659 -10.684 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.391 -11.699 -0.431 1.00 0.00 H new ATOM 872 N LEU A 57 -2.140 -10.279 2.567 1.00 0.00 N ATOM 873 CA LEU A 57 -1.210 -9.178 2.773 1.00 0.00 C ATOM 874 C LEU A 57 -0.097 -9.580 3.725 1.00 0.00 C ATOM 875 O LEU A 57 1.066 -9.270 3.484 1.00 0.00 O ATOM 876 CB LEU A 57 -1.940 -7.939 3.302 1.00 0.00 C ATOM 877 CG LEU A 57 -2.480 -6.982 2.234 1.00 0.00 C ATOM 878 CD1 LEU A 57 -1.339 -6.368 1.443 1.00 0.00 C ATOM 879 CD2 LEU A 57 -3.438 -7.690 1.297 1.00 0.00 C ATOM 0 H LEU A 57 -3.097 -10.078 2.856 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.766 -8.931 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.773 -8.268 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.258 -7.386 3.948 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.025 -6.188 2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.742 -5.691 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.686 -5.813 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.769 -7.158 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.804 -6.985 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.921 -8.510 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.279 -8.085 1.867 1.00 0.00 H new ATOM 891 N ARG A 58 -0.446 -10.294 4.788 1.00 0.00 N ATOM 892 CA ARG A 58 0.555 -10.758 5.737 1.00 0.00 C ATOM 893 C ARG A 58 1.590 -11.619 5.032 1.00 0.00 C ATOM 894 O ARG A 58 2.792 -11.380 5.142 1.00 0.00 O ATOM 895 CB ARG A 58 -0.091 -11.546 6.872 1.00 0.00 C ATOM 896 CG ARG A 58 -0.923 -10.695 7.808 1.00 0.00 C ATOM 897 CD ARG A 58 -1.560 -11.540 8.894 1.00 0.00 C ATOM 898 NE ARG A 58 -2.289 -10.721 9.857 1.00 0.00 N ATOM 899 CZ ARG A 58 -3.613 -10.714 9.986 1.00 0.00 C ATOM 900 NH1 ARG A 58 -4.367 -11.513 9.239 1.00 0.00 N ATOM 901 NH2 ARG A 58 -4.179 -9.915 10.873 1.00 0.00 N ATOM 0 H ARG A 58 -1.404 -10.562 5.012 1.00 0.00 H new ATOM 0 HA ARG A 58 1.047 -9.884 6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.722 -12.326 6.447 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.690 -12.045 7.446 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.295 -9.928 8.261 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.699 -10.179 7.242 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.240 -12.262 8.442 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.788 -12.110 9.411 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.747 -10.114 10.472 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.931 -12.138 8.561 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.382 -11.502 9.344 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.601 -9.308 11.454 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.194 -9.905 10.976 1.00 0.00 H new ATOM 915 N ASP A 59 1.110 -12.602 4.279 1.00 0.00 N ATOM 916 CA ASP A 59 1.989 -13.500 3.545 1.00 0.00 C ATOM 917 C ASP A 59 2.790 -12.746 2.490 1.00 0.00 C ATOM 918 O ASP A 59 3.972 -12.991 2.307 1.00 0.00 O ATOM 919 CB ASP A 59 1.197 -14.629 2.891 1.00 0.00 C ATOM 920 CG ASP A 59 2.083 -15.528 2.048 1.00 0.00 C ATOM 921 OD1 ASP A 59 2.978 -16.196 2.615 1.00 0.00 O ATOM 922 OD2 ASP A 59 1.886 -15.570 0.816 1.00 0.00 O ATOM 0 H ASP A 59 0.116 -12.796 4.162 1.00 0.00 H new ATOM 0 HA ASP A 59 2.685 -13.934 4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.707 -15.223 3.663 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.410 -14.206 2.266 1.00 0.00 H new ATOM 927 N SER A 60 2.150 -11.799 1.829 1.00 0.00 N ATOM 928 CA SER A 60 2.777 -11.081 0.728 1.00 0.00 C ATOM 929 C SER A 60 3.951 -10.264 1.235 1.00 0.00 C ATOM 930 O SER A 60 5.034 -10.259 0.647 1.00 0.00 O ATOM 931 CB SER A 60 1.752 -10.172 0.045 1.00 0.00 C ATOM 932 OG SER A 60 1.458 -9.020 0.821 1.00 0.00 O ATOM 0 H SER A 60 1.194 -11.507 2.034 1.00 0.00 H new ATOM 0 HA SER A 60 3.146 -11.804 0.000 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.133 -9.865 -0.929 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.834 -10.732 -0.134 1.00 0.00 H new ATOM 0 HG SER A 60 1.296 -9.284 1.751 1.00 0.00 H new ATOM 938 N PHE A 61 3.721 -9.604 2.357 1.00 0.00 N ATOM 939 CA PHE A 61 4.729 -8.758 2.967 1.00 0.00 C ATOM 940 C PHE A 61 5.877 -9.593 3.500 1.00 0.00 C ATOM 941 O PHE A 61 7.041 -9.234 3.346 1.00 0.00 O ATOM 942 CB PHE A 61 4.128 -7.913 4.094 1.00 0.00 C ATOM 943 CG PHE A 61 3.260 -6.786 3.611 1.00 0.00 C ATOM 944 CD1 PHE A 61 3.596 -6.077 2.467 1.00 0.00 C ATOM 945 CD2 PHE A 61 2.114 -6.431 4.302 1.00 0.00 C ATOM 946 CE1 PHE A 61 2.801 -5.037 2.022 1.00 0.00 C ATOM 947 CE2 PHE A 61 1.316 -5.393 3.862 1.00 0.00 C ATOM 948 CZ PHE A 61 1.660 -4.696 2.721 1.00 0.00 C ATOM 0 H PHE A 61 2.838 -9.639 2.866 1.00 0.00 H new ATOM 0 HA PHE A 61 5.110 -8.086 2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.539 -8.559 4.745 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.937 -7.503 4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.488 -6.340 1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.841 -6.972 5.196 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.072 -4.492 1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.424 -5.127 4.410 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.037 -3.884 2.375 1.00 0.00 H new ATOM 958 N GLN A 62 5.553 -10.725 4.098 1.00 0.00 N ATOM 959 CA GLN A 62 6.576 -11.568 4.677 1.00 0.00 C ATOM 960 C GLN A 62 7.359 -12.290 3.587 1.00 0.00 C ATOM 961 O GLN A 62 8.538 -12.583 3.763 1.00 0.00 O ATOM 962 CB GLN A 62 5.972 -12.557 5.673 1.00 0.00 C ATOM 963 CG GLN A 62 4.974 -13.523 5.075 1.00 0.00 C ATOM 964 CD GLN A 62 4.702 -14.719 5.966 1.00 0.00 C ATOM 965 OE1 GLN A 62 4.822 -14.639 7.191 1.00 0.00 O ATOM 966 NE2 GLN A 62 4.315 -15.832 5.362 1.00 0.00 N ATOM 0 H GLN A 62 4.600 -11.077 4.194 1.00 0.00 H new ATOM 0 HA GLN A 62 7.271 -10.932 5.225 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.779 -13.127 6.133 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.483 -11.997 6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.038 -12.998 4.884 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.346 -13.871 4.112 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.228 -15.857 4.346 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.104 -16.664 5.913 1.00 0.00 H new ATOM 975 N GLN A 63 6.714 -12.559 2.453 1.00 0.00 N ATOM 976 CA GLN A 63 7.401 -13.180 1.330 1.00 0.00 C ATOM 977 C GLN A 63 8.497 -12.272 0.798 1.00 0.00 C ATOM 978 O GLN A 63 9.607 -12.725 0.543 1.00 0.00 O ATOM 979 CB GLN A 63 6.443 -13.537 0.198 1.00 0.00 C ATOM 980 CG GLN A 63 5.503 -14.680 0.541 1.00 0.00 C ATOM 981 CD GLN A 63 6.211 -15.955 0.964 1.00 0.00 C ATOM 982 OE1 GLN A 63 7.337 -16.237 0.550 1.00 0.00 O ATOM 983 NE2 GLN A 63 5.542 -16.741 1.790 1.00 0.00 N ATOM 0 H GLN A 63 5.727 -12.358 2.291 1.00 0.00 H new ATOM 0 HA GLN A 63 7.843 -14.103 1.705 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.854 -12.657 -0.061 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.021 -13.805 -0.686 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.838 -14.362 1.344 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.877 -14.894 -0.325 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.612 -16.471 2.110 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.956 -17.617 2.108 1.00 0.00 H new ATOM 992 N VAL A 64 8.192 -10.987 0.642 1.00 0.00 N ATOM 993 CA VAL A 64 9.187 -10.046 0.143 1.00 0.00 C ATOM 994 C VAL A 64 10.284 -9.819 1.183 1.00 0.00 C ATOM 995 O VAL A 64 11.409 -9.467 0.836 1.00 0.00 O ATOM 996 CB VAL A 64 8.570 -8.695 -0.301 1.00 0.00 C ATOM 997 CG1 VAL A 64 8.091 -7.867 0.882 1.00 0.00 C ATOM 998 CG2 VAL A 64 9.563 -7.903 -1.138 1.00 0.00 C ATOM 0 H VAL A 64 7.280 -10.580 0.850 1.00 0.00 H new ATOM 0 HA VAL A 64 9.626 -10.498 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 64 7.696 -8.925 -0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.667 -6.930 0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.331 -8.423 1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.932 -7.655 1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.112 -6.958 -1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.459 -7.706 -0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.831 -8.477 -2.025 1.00 0.00 H new ATOM 1008 N VAL A 65 9.963 -10.046 2.455 1.00 0.00 N ATOM 1009 CA VAL A 65 10.970 -9.988 3.511 1.00 0.00 C ATOM 1010 C VAL A 65 11.906 -11.187 3.395 1.00 0.00 C ATOM 1011 O VAL A 65 13.090 -11.109 3.713 1.00 0.00 O ATOM 1012 CB VAL A 65 10.328 -9.954 4.919 1.00 0.00 C ATOM 1013 CG1 VAL A 65 11.386 -10.027 6.012 1.00 0.00 C ATOM 1014 CG2 VAL A 65 9.492 -8.698 5.090 1.00 0.00 C ATOM 0 H VAL A 65 9.022 -10.270 2.777 1.00 0.00 H new ATOM 0 HA VAL A 65 11.534 -9.064 3.384 1.00 0.00 H new ATOM 0 HB VAL A 65 9.683 -10.828 5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.903 -10.001 6.989 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.950 -10.954 5.911 1.00 0.00 H new ATOM 0 HG13 VAL A 65 12.064 -9.178 5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.048 -8.689 6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.126 -7.820 4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.702 -8.682 4.340 1.00 0.00 H new ATOM 1024 N LYS A 66 11.361 -12.300 2.929 1.00 0.00 N ATOM 1025 CA LYS A 66 12.154 -13.491 2.656 1.00 0.00 C ATOM 1026 C LYS A 66 12.977 -13.297 1.387 1.00 0.00 C ATOM 1027 O LYS A 66 14.129 -13.721 1.307 1.00 0.00 O ATOM 1028 CB LYS A 66 11.240 -14.707 2.501 1.00 0.00 C ATOM 1029 CG LYS A 66 10.455 -15.053 3.755 1.00 0.00 C ATOM 1030 CD LYS A 66 9.372 -16.077 3.462 1.00 0.00 C ATOM 1031 CE LYS A 66 9.951 -17.365 2.898 1.00 0.00 C ATOM 1032 NZ LYS A 66 8.889 -18.342 2.550 1.00 0.00 N ATOM 0 H LYS A 66 10.366 -12.404 2.731 1.00 0.00 H new ATOM 0 HA LYS A 66 12.831 -13.659 3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.540 -14.521 1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.843 -15.568 2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.132 -15.444 4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 66 10.003 -14.150 4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.822 -16.296 4.377 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.658 -15.658 2.753 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.542 -17.139 2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.628 -17.809 3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.320 -19.186 2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.373 -18.615 3.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.228 -17.910 1.873 1.00 0.00 H new ATOM 1046 N LEU A 67 12.372 -12.645 0.404 1.00 0.00 N ATOM 1047 CA LEU A 67 13.018 -12.399 -0.877 1.00 0.00 C ATOM 1048 C LEU A 67 14.126 -11.355 -0.753 1.00 0.00 C ATOM 1049 O LEU A 67 15.273 -11.623 -1.103 1.00 0.00 O ATOM 1050 CB LEU A 67 11.976 -11.953 -1.911 1.00 0.00 C ATOM 1051 CG LEU A 67 10.924 -13.006 -2.258 1.00 0.00 C ATOM 1052 CD1 LEU A 67 9.923 -12.446 -3.250 1.00 0.00 C ATOM 1053 CD2 LEU A 67 11.583 -14.258 -2.817 1.00 0.00 C ATOM 0 H LEU A 67 11.424 -12.273 0.471 1.00 0.00 H new ATOM 0 HA LEU A 67 13.478 -13.330 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.469 -11.064 -1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.494 -11.662 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 67 10.394 -13.276 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.180 -13.208 -3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.427 -11.578 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.441 -12.149 -4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.817 -14.996 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.139 -14.004 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.265 -14.672 -2.075 1.00 0.00 H new ATOM 1065 N LYS A 68 13.766 -10.182 -0.237 1.00 0.00 N ATOM 1066 CA LYS A 68 14.699 -9.063 -0.062 1.00 0.00 C ATOM 1067 C LYS A 68 15.334 -8.630 -1.378 1.00 0.00 C ATOM 1068 O LYS A 68 16.304 -9.223 -1.853 1.00 0.00 O ATOM 1069 CB LYS A 68 15.787 -9.404 0.955 1.00 0.00 C ATOM 1070 CG LYS A 68 15.273 -9.513 2.372 1.00 0.00 C ATOM 1071 CD LYS A 68 16.379 -9.870 3.344 1.00 0.00 C ATOM 1072 CE LYS A 68 15.839 -9.995 4.752 1.00 0.00 C ATOM 1073 NZ LYS A 68 16.890 -10.364 5.733 1.00 0.00 N ATOM 0 H LYS A 68 12.816 -9.977 0.074 1.00 0.00 H new ATOM 0 HA LYS A 68 14.111 -8.226 0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.255 -10.347 0.673 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.563 -8.639 0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.820 -8.567 2.668 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.490 -10.270 2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.844 -10.809 3.044 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.156 -9.106 3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.385 -9.049 5.049 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.050 -10.747 4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.469 -10.437 6.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.307 -11.279 5.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.631 -9.635 5.738 1.00 0.00 H new ATOM 1087 N GLY A 69 14.782 -7.585 -1.961 1.00 0.00 N ATOM 1088 CA GLY A 69 15.321 -7.053 -3.196 1.00 0.00 C ATOM 1089 C GLY A 69 14.465 -7.398 -4.393 1.00 0.00 C ATOM 1090 O GLY A 69 14.543 -6.743 -5.431 1.00 0.00 O ATOM 0 H GLY A 69 13.966 -7.090 -1.602 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.408 -5.969 -3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.328 -7.443 -3.348 1.00 0.00 H new ATOM 1094 N GLN A 70 13.643 -8.426 -4.250 1.00 0.00 N ATOM 1095 CA GLN A 70 12.753 -8.843 -5.318 1.00 0.00 C ATOM 1096 C GLN A 70 11.424 -8.118 -5.191 1.00 0.00 C ATOM 1097 O GLN A 70 10.860 -8.034 -4.103 1.00 0.00 O ATOM 1098 CB GLN A 70 12.532 -10.354 -5.251 1.00 0.00 C ATOM 1099 CG GLN A 70 11.543 -10.894 -6.275 1.00 0.00 C ATOM 1100 CD GLN A 70 12.139 -11.089 -7.660 1.00 0.00 C ATOM 1101 OE1 GLN A 70 11.738 -11.996 -8.389 1.00 0.00 O ATOM 1102 NE2 GLN A 70 13.082 -10.242 -8.046 1.00 0.00 N ATOM 0 H GLN A 70 13.575 -8.987 -3.401 1.00 0.00 H new ATOM 0 HA GLN A 70 13.205 -8.594 -6.278 1.00 0.00 H new ATOM 0 HB2 GLN A 70 13.490 -10.855 -5.391 1.00 0.00 H new ATOM 0 HB3 GLN A 70 12.179 -10.613 -4.253 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.152 -11.848 -5.921 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.698 -10.209 -6.346 1.00 0.00 H new ATOM 0 HE21 GLN A 70 13.391 -9.501 -7.416 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.499 -10.331 -8.973 1.00 0.00 H new ATOM 1111 N VAL A 71 10.933 -7.593 -6.299 1.00 0.00 N ATOM 1112 CA VAL A 71 9.653 -6.909 -6.305 1.00 0.00 C ATOM 1113 C VAL A 71 8.518 -7.928 -6.266 1.00 0.00 C ATOM 1114 O VAL A 71 8.372 -8.750 -7.170 1.00 0.00 O ATOM 1115 CB VAL A 71 9.506 -6.005 -7.545 1.00 0.00 C ATOM 1116 CG1 VAL A 71 8.202 -5.224 -7.489 1.00 0.00 C ATOM 1117 CG2 VAL A 71 10.692 -5.059 -7.658 1.00 0.00 C ATOM 0 H VAL A 71 11.400 -7.627 -7.205 1.00 0.00 H new ATOM 0 HA VAL A 71 9.604 -6.277 -5.419 1.00 0.00 H new ATOM 0 HB VAL A 71 9.486 -6.639 -8.431 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.118 -4.592 -8.373 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.363 -5.919 -7.458 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.190 -4.600 -6.595 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.572 -4.428 -8.539 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.744 -4.433 -6.767 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.611 -5.637 -7.749 1.00 0.00 H new ATOM 1127 N LEU A 72 7.726 -7.873 -5.205 1.00 0.00 N ATOM 1128 CA LEU A 72 6.659 -8.844 -4.983 1.00 0.00 C ATOM 1129 C LEU A 72 5.309 -8.191 -5.267 1.00 0.00 C ATOM 1130 O LEU A 72 4.913 -7.260 -4.575 1.00 0.00 O ATOM 1131 CB LEU A 72 6.730 -9.344 -3.529 1.00 0.00 C ATOM 1132 CG LEU A 72 6.110 -10.719 -3.233 1.00 0.00 C ATOM 1133 CD1 LEU A 72 4.593 -10.681 -3.338 1.00 0.00 C ATOM 1134 CD2 LEU A 72 6.683 -11.772 -4.168 1.00 0.00 C ATOM 0 H LEU A 72 7.802 -7.161 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 72 6.778 -9.694 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.778 -9.374 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.239 -8.607 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 72 6.364 -10.985 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.188 -11.670 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.197 -9.963 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.305 -10.383 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.234 -12.740 -3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.464 -11.499 -5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.762 -11.833 -4.030 1.00 0.00 H new ATOM 1146 N SER A 73 4.607 -8.673 -6.280 1.00 0.00 N ATOM 1147 CA SER A 73 3.325 -8.098 -6.653 1.00 0.00 C ATOM 1148 C SER A 73 2.189 -8.774 -5.895 1.00 0.00 C ATOM 1149 O SER A 73 2.032 -9.994 -5.951 1.00 0.00 O ATOM 1150 CB SER A 73 3.112 -8.224 -8.163 1.00 0.00 C ATOM 1151 OG SER A 73 3.356 -9.548 -8.611 1.00 0.00 O ATOM 0 H SER A 73 4.903 -9.460 -6.858 1.00 0.00 H new ATOM 0 HA SER A 73 3.328 -7.041 -6.386 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.091 -7.936 -8.413 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.775 -7.534 -8.684 1.00 0.00 H new ATOM 0 HG SER A 73 3.018 -10.185 -7.948 1.00 0.00 H new ATOM 1157 N VAL A 74 1.424 -7.983 -5.161 1.00 0.00 N ATOM 1158 CA VAL A 74 0.257 -8.486 -4.453 1.00 0.00 C ATOM 1159 C VAL A 74 -0.998 -7.804 -4.950 1.00 0.00 C ATOM 1160 O VAL A 74 -1.057 -6.579 -5.066 1.00 0.00 O ATOM 1161 CB VAL A 74 0.399 -8.316 -2.917 1.00 0.00 C ATOM 1162 CG1 VAL A 74 0.748 -6.881 -2.551 1.00 0.00 C ATOM 1163 CG2 VAL A 74 -0.872 -8.751 -2.203 1.00 0.00 C ATOM 0 H VAL A 74 1.591 -6.984 -5.039 1.00 0.00 H new ATOM 0 HA VAL A 74 0.182 -9.554 -4.659 1.00 0.00 H new ATOM 0 HB VAL A 74 1.217 -8.958 -2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.841 -6.794 -1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.693 -6.606 -3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.039 -6.214 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.748 -8.622 -1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.709 -8.143 -2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.072 -9.800 -2.422 1.00 0.00 H new ATOM 1173 N MET A 75 -1.991 -8.606 -5.271 1.00 0.00 N ATOM 1174 CA MET A 75 -3.230 -8.090 -5.793 1.00 0.00 C ATOM 1175 C MET A 75 -4.334 -8.237 -4.754 1.00 0.00 C ATOM 1176 O MET A 75 -4.590 -9.338 -4.264 1.00 0.00 O ATOM 1177 CB MET A 75 -3.604 -8.817 -7.081 1.00 0.00 C ATOM 1178 CG MET A 75 -4.370 -7.930 -8.026 1.00 0.00 C ATOM 1179 SD MET A 75 -5.302 -8.852 -9.264 1.00 0.00 S ATOM 1180 CE MET A 75 -6.109 -7.514 -10.144 1.00 0.00 C ATOM 0 H MET A 75 -1.960 -9.621 -5.178 1.00 0.00 H new ATOM 0 HA MET A 75 -3.105 -7.031 -6.021 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.699 -9.174 -7.572 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.204 -9.695 -6.841 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.056 -7.306 -7.453 1.00 0.00 H new ATOM 0 HG3 MET A 75 -3.674 -7.259 -8.529 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.172 -7.733 -10.244 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.981 -6.584 -9.589 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.665 -7.410 -11.134 1.00 0.00 H new ATOM 1190 N PHE A 76 -4.976 -7.130 -4.424 1.00 0.00 N ATOM 1191 CA PHE A 76 -5.972 -7.109 -3.360 1.00 0.00 C ATOM 1192 C PHE A 76 -6.876 -5.896 -3.515 1.00 0.00 C ATOM 1193 O PHE A 76 -6.699 -5.093 -4.436 1.00 0.00 O ATOM 1194 CB PHE A 76 -5.282 -7.085 -1.989 1.00 0.00 C ATOM 1195 CG PHE A 76 -4.537 -5.811 -1.698 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -3.348 -5.518 -2.348 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -5.025 -4.911 -0.765 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -2.665 -4.353 -2.074 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -4.346 -3.742 -0.488 1.00 0.00 C ATOM 1200 CZ PHE A 76 -3.163 -3.463 -1.143 1.00 0.00 C ATOM 0 H PHE A 76 -4.826 -6.229 -4.878 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.580 -8.011 -3.429 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.033 -7.239 -1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.586 -7.922 -1.930 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.953 -6.210 -3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.948 -5.127 -0.248 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.740 -4.136 -2.587 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.739 -3.047 0.239 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.628 -2.550 -0.928 1.00 0.00 H new ATOM 1210 N ARG A 77 -7.845 -5.765 -2.620 1.00 0.00 N ATOM 1211 CA ARG A 77 -8.774 -4.646 -2.656 1.00 0.00 C ATOM 1212 C ARG A 77 -8.483 -3.648 -1.537 1.00 0.00 C ATOM 1213 O ARG A 77 -8.425 -4.013 -0.360 1.00 0.00 O ATOM 1214 CB ARG A 77 -10.216 -5.142 -2.537 1.00 0.00 C ATOM 1215 CG ARG A 77 -10.807 -5.668 -3.831 1.00 0.00 C ATOM 1216 CD ARG A 77 -12.185 -6.261 -3.588 1.00 0.00 C ATOM 1217 NE ARG A 77 -13.007 -6.278 -4.795 1.00 0.00 N ATOM 1218 CZ ARG A 77 -13.776 -7.301 -5.156 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -13.753 -8.436 -4.464 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -14.556 -7.189 -6.223 1.00 0.00 N ATOM 0 H ARG A 77 -8.008 -6.423 -1.858 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.644 -4.142 -3.613 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.255 -5.932 -1.787 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -10.839 -4.325 -2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.876 -4.861 -4.560 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.149 -6.426 -4.256 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.078 -7.278 -3.211 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.693 -5.686 -2.814 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.990 -5.455 -5.398 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.143 -8.526 -3.651 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.345 -9.217 -4.746 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.563 -6.322 -6.761 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.148 -7.970 -6.506 1.00 0.00 H new ATOM 1234 N PHE A 78 -8.311 -2.389 -1.919 1.00 0.00 N ATOM 1235 CA PHE A 78 -8.032 -1.315 -0.975 1.00 0.00 C ATOM 1236 C PHE A 78 -9.290 -0.487 -0.767 1.00 0.00 C ATOM 1237 O PHE A 78 -10.068 -0.286 -1.703 1.00 0.00 O ATOM 1238 CB PHE A 78 -6.931 -0.418 -1.532 1.00 0.00 C ATOM 1239 CG PHE A 78 -6.111 0.319 -0.503 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -6.608 1.441 0.142 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -4.825 -0.099 -0.208 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -5.837 2.127 1.062 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -4.048 0.586 0.703 1.00 0.00 C ATOM 1244 CZ PHE A 78 -4.553 1.699 1.341 1.00 0.00 C ATOM 0 H PHE A 78 -8.361 -2.084 -2.891 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.710 -1.743 -0.026 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.260 -1.029 -2.136 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.386 0.313 -2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.609 1.783 -0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.424 -0.974 -0.698 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.238 2.996 1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.044 0.250 0.917 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.947 2.235 2.057 1.00 0.00 H new ATOM 1254 N ARG A 79 -9.492 -0.014 0.451 1.00 0.00 N ATOM 1255 CA ARG A 79 -10.657 0.796 0.757 1.00 0.00 C ATOM 1256 C ARG A 79 -10.449 2.251 0.342 1.00 0.00 C ATOM 1257 O ARG A 79 -9.665 2.972 0.943 1.00 0.00 O ATOM 1258 CB ARG A 79 -10.991 0.738 2.245 1.00 0.00 C ATOM 1259 CG ARG A 79 -12.443 1.075 2.539 1.00 0.00 C ATOM 1260 CD ARG A 79 -12.647 1.478 3.985 1.00 0.00 C ATOM 1261 NE ARG A 79 -12.016 0.545 4.924 1.00 0.00 N ATOM 1262 CZ ARG A 79 -12.505 0.268 6.134 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -13.676 0.766 6.508 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -11.839 -0.526 6.961 1.00 0.00 N ATOM 0 H ARG A 79 -8.867 -0.176 1.241 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.490 0.383 0.187 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.771 -0.261 2.623 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.346 1.432 2.784 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.767 1.886 1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.069 0.213 2.310 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.239 2.477 4.141 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -13.715 1.533 4.196 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.154 0.082 4.636 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -14.204 1.362 5.870 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.049 0.553 7.433 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.947 -0.929 6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.218 -0.734 7.885 1.00 0.00 H new ATOM 1278 N SER A 80 -11.123 2.639 -0.720 1.00 0.00 N ATOM 1279 CA SER A 80 -11.229 4.036 -1.126 1.00 0.00 C ATOM 1280 C SER A 80 -11.876 4.890 -0.024 1.00 0.00 C ATOM 1281 O SER A 80 -12.531 4.373 0.884 1.00 0.00 O ATOM 1282 CB SER A 80 -12.075 4.118 -2.399 1.00 0.00 C ATOM 1283 OG SER A 80 -12.375 5.461 -2.748 1.00 0.00 O ATOM 0 H SER A 80 -11.619 1.993 -1.335 1.00 0.00 H new ATOM 0 HA SER A 80 -10.227 4.424 -1.308 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.542 3.639 -3.221 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.003 3.564 -2.255 1.00 0.00 H new ATOM 0 HG SER A 80 -12.466 5.534 -3.721 1.00 0.00 H new ATOM 1289 N LYS A 81 -11.707 6.211 -0.141 1.00 0.00 N ATOM 1290 CA LYS A 81 -12.307 7.178 0.776 1.00 0.00 C ATOM 1291 C LYS A 81 -13.825 7.200 0.609 1.00 0.00 C ATOM 1292 O LYS A 81 -14.544 7.784 1.417 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.742 8.576 0.503 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.085 9.608 1.567 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.378 9.313 2.876 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.738 10.321 3.955 1.00 0.00 C ATOM 1297 NZ LYS A 81 -13.177 10.259 4.323 1.00 0.00 N ATOM 0 H LYS A 81 -11.147 6.639 -0.879 1.00 0.00 H new ATOM 0 HA LYS A 81 -12.067 6.882 1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.658 8.507 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.116 8.925 -0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.804 10.601 1.216 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.163 9.621 1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.642 8.311 3.213 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.300 9.322 2.716 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.130 10.136 4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.497 11.325 3.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.340 10.823 5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.751 10.640 3.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.447 9.271 4.502 1.00 0.00 H new ATOM 1311 N ASN A 82 -14.301 6.545 -0.444 1.00 0.00 N ATOM 1312 CA ASN A 82 -15.731 6.425 -0.703 1.00 0.00 C ATOM 1313 C ASN A 82 -16.227 5.120 -0.116 1.00 0.00 C ATOM 1314 O ASN A 82 -17.374 4.718 -0.323 1.00 0.00 O ATOM 1315 CB ASN A 82 -16.022 6.452 -2.207 1.00 0.00 C ATOM 1316 CG ASN A 82 -15.612 7.753 -2.857 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -16.398 8.698 -2.927 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -14.385 7.808 -3.348 1.00 0.00 N ATOM 0 H ASN A 82 -13.711 6.085 -1.138 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.244 7.269 -0.242 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.496 5.628 -2.689 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -17.087 6.289 -2.370 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.057 8.658 -3.807 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.767 7.001 -3.268 1.00 0.00 H new ATOM 1325 N GLN A 83 -15.323 4.463 0.606 1.00 0.00 N ATOM 1326 CA GLN A 83 -15.578 3.173 1.225 1.00 0.00 C ATOM 1327 C GLN A 83 -15.836 2.111 0.163 1.00 0.00 C ATOM 1328 O GLN A 83 -16.639 1.199 0.350 1.00 0.00 O ATOM 1329 CB GLN A 83 -16.723 3.260 2.236 1.00 0.00 C ATOM 1330 CG GLN A 83 -16.316 3.897 3.563 1.00 0.00 C ATOM 1331 CD GLN A 83 -15.859 5.338 3.428 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -16.666 6.268 3.480 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -14.556 5.536 3.277 1.00 0.00 N ATOM 0 H GLN A 83 -14.383 4.819 0.777 1.00 0.00 H new ATOM 0 HA GLN A 83 -14.688 2.876 1.779 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.539 3.837 1.800 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -17.107 2.258 2.426 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.160 3.855 4.251 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.513 3.310 4.008 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.920 4.739 3.239 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -14.190 6.485 3.199 1.00 0.00 H new ATOM 1342 N GLU A 84 -15.152 2.262 -0.961 1.00 0.00 N ATOM 1343 CA GLU A 84 -15.122 1.241 -1.989 1.00 0.00 C ATOM 1344 C GLU A 84 -13.964 0.304 -1.720 1.00 0.00 C ATOM 1345 O GLU A 84 -13.154 0.559 -0.833 1.00 0.00 O ATOM 1346 CB GLU A 84 -14.950 1.863 -3.370 1.00 0.00 C ATOM 1347 CG GLU A 84 -16.204 2.498 -3.930 1.00 0.00 C ATOM 1348 CD GLU A 84 -17.312 1.496 -4.170 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -17.367 0.916 -5.277 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -18.146 1.294 -3.264 1.00 0.00 O ATOM 0 H GLU A 84 -14.605 3.094 -1.183 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.066 0.697 -1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.166 2.619 -3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.607 1.093 -4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.557 3.265 -3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.964 2.999 -4.868 1.00 0.00 H new ATOM 1357 N TRP A 85 -13.874 -0.759 -2.493 1.00 0.00 N ATOM 1358 CA TRP A 85 -12.792 -1.725 -2.339 1.00 0.00 C ATOM 1359 C TRP A 85 -12.317 -2.167 -3.715 1.00 0.00 C ATOM 1360 O TRP A 85 -12.797 -3.164 -4.247 1.00 0.00 O ATOM 1361 CB TRP A 85 -13.254 -2.949 -1.530 1.00 0.00 C ATOM 1362 CG TRP A 85 -13.791 -2.629 -0.170 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -15.071 -2.283 0.162 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -13.054 -2.652 1.043 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -15.164 -2.087 1.523 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -13.936 -2.312 2.084 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -11.730 -2.931 1.346 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -13.525 -2.246 3.411 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -11.324 -2.864 2.655 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -12.216 -2.528 3.680 1.00 0.00 C ATOM 0 H TRP A 85 -14.536 -0.981 -3.237 1.00 0.00 H new ATOM 0 HA TRP A 85 -11.974 -1.250 -1.797 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.024 -3.473 -2.096 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -12.414 -3.635 -1.423 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -15.887 -2.179 -0.537 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -16.008 -1.819 2.029 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -11.031 -3.196 0.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -14.215 -1.982 4.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.294 -3.075 2.900 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -11.863 -2.491 4.700 1.00 0.00 H new ATOM 1381 N LEU A 86 -11.380 -1.427 -4.294 1.00 0.00 N ATOM 1382 CA LEU A 86 -10.984 -1.659 -5.680 1.00 0.00 C ATOM 1383 C LEU A 86 -9.733 -2.518 -5.786 1.00 0.00 C ATOM 1384 O LEU A 86 -8.957 -2.639 -4.836 1.00 0.00 O ATOM 1385 CB LEU A 86 -10.803 -0.349 -6.478 1.00 0.00 C ATOM 1386 CG LEU A 86 -10.185 0.877 -5.773 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -11.211 1.583 -4.906 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -8.951 0.512 -4.955 1.00 0.00 C ATOM 0 H LEU A 86 -10.882 -0.666 -3.831 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.812 -2.207 -6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.185 -0.576 -7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.783 -0.054 -6.853 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.863 1.562 -6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.748 2.443 -4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -12.042 1.920 -5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.581 0.894 -4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.552 1.408 -4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.223 -0.215 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.194 0.082 -5.611 1.00 0.00 H new ATOM 1400 N TRP A 87 -9.552 -3.102 -6.964 1.00 0.00 N ATOM 1401 CA TRP A 87 -8.428 -3.988 -7.221 1.00 0.00 C ATOM 1402 C TRP A 87 -7.165 -3.195 -7.484 1.00 0.00 C ATOM 1403 O TRP A 87 -7.113 -2.363 -8.395 1.00 0.00 O ATOM 1404 CB TRP A 87 -8.702 -4.890 -8.422 1.00 0.00 C ATOM 1405 CG TRP A 87 -9.784 -5.890 -8.190 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -11.056 -5.839 -8.670 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -9.686 -7.094 -7.422 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -11.760 -6.942 -8.250 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -10.940 -7.727 -7.482 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -8.659 -7.697 -6.692 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -11.194 -8.936 -6.840 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -8.910 -8.896 -6.055 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -10.169 -9.506 -6.133 1.00 0.00 C ATOM 0 H TRP A 87 -10.176 -2.975 -7.761 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.294 -4.603 -6.332 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -8.971 -4.269 -9.277 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.785 -5.416 -8.686 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -11.454 -5.049 -9.289 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -12.735 -7.144 -8.474 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -7.686 -7.233 -6.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -12.164 -9.407 -6.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -8.123 -9.371 -5.488 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -10.334 -10.445 -5.625 1.00 0.00 H new ATOM 1424 N MET A 88 -6.151 -3.444 -6.684 1.00 0.00 N ATOM 1425 CA MET A 88 -4.866 -2.826 -6.907 1.00 0.00 C ATOM 1426 C MET A 88 -3.746 -3.849 -6.796 1.00 0.00 C ATOM 1427 O MET A 88 -3.818 -4.789 -6.003 1.00 0.00 O ATOM 1428 CB MET A 88 -4.629 -1.673 -5.931 1.00 0.00 C ATOM 1429 CG MET A 88 -4.603 -2.073 -4.469 1.00 0.00 C ATOM 1430 SD MET A 88 -3.925 -0.768 -3.428 1.00 0.00 S ATOM 1431 CE MET A 88 -4.855 0.643 -4.014 1.00 0.00 C ATOM 0 H MET A 88 -6.193 -4.067 -5.878 1.00 0.00 H new ATOM 0 HA MET A 88 -4.867 -2.421 -7.919 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.682 -1.194 -6.179 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.410 -0.927 -6.075 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.614 -2.312 -4.140 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.007 -2.978 -4.351 1.00 0.00 H new ATOM 0 HE1 MET A 88 -4.783 1.453 -3.288 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.449 0.975 -4.970 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.900 0.362 -4.141 1.00 0.00 H new ATOM 1441 N ARG A 89 -2.738 -3.677 -7.629 1.00 0.00 N ATOM 1442 CA ARG A 89 -1.538 -4.486 -7.564 1.00 0.00 C ATOM 1443 C ARG A 89 -0.435 -3.682 -6.905 1.00 0.00 C ATOM 1444 O ARG A 89 0.059 -2.711 -7.478 1.00 0.00 O ATOM 1445 CB ARG A 89 -1.093 -4.921 -8.963 1.00 0.00 C ATOM 1446 CG ARG A 89 0.178 -5.758 -8.967 1.00 0.00 C ATOM 1447 CD ARG A 89 1.238 -5.165 -9.891 1.00 0.00 C ATOM 1448 NE ARG A 89 1.595 -3.792 -9.521 1.00 0.00 N ATOM 1449 CZ ARG A 89 2.700 -3.161 -9.935 1.00 0.00 C ATOM 1450 NH1 ARG A 89 3.588 -3.793 -10.694 1.00 0.00 N ATOM 1451 NH2 ARG A 89 2.912 -1.897 -9.582 1.00 0.00 N ATOM 0 H ARG A 89 -2.728 -2.974 -8.368 1.00 0.00 H new ATOM 0 HA ARG A 89 -1.750 -5.382 -6.981 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.896 -5.493 -9.429 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.936 -4.034 -9.577 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.574 -5.824 -7.954 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.056 -6.774 -9.285 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.131 -5.790 -9.864 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.871 -5.178 -10.917 1.00 0.00 H new ATOM 0 HE ARG A 89 0.959 -3.284 -8.907 1.00 0.00 H new ATOM 0 HH11 ARG A 89 3.429 -4.764 -10.964 1.00 0.00 H new ATOM 0 HH12 ARG A 89 4.429 -3.308 -11.007 1.00 0.00 H new ATOM 0 HH21 ARG A 89 2.233 -1.410 -8.997 1.00 0.00 H new ATOM 0 HH22 ARG A 89 3.754 -1.414 -9.896 1.00 0.00 H new ATOM 1465 N THR A 90 -0.070 -4.069 -5.707 1.00 0.00 N ATOM 1466 CA THR A 90 0.994 -3.405 -4.987 1.00 0.00 C ATOM 1467 C THR A 90 2.324 -4.121 -5.201 1.00 0.00 C ATOM 1468 O THR A 90 2.407 -5.346 -5.085 1.00 0.00 O ATOM 1469 CB THR A 90 0.666 -3.329 -3.485 1.00 0.00 C ATOM 1470 OG1 THR A 90 -0.507 -2.528 -3.291 1.00 0.00 O ATOM 1471 CG2 THR A 90 1.817 -2.738 -2.692 1.00 0.00 C ATOM 0 H THR A 90 -0.497 -4.847 -5.205 1.00 0.00 H new ATOM 0 HA THR A 90 1.083 -2.391 -5.377 1.00 0.00 H new ATOM 0 HB THR A 90 0.493 -4.344 -3.126 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.707 -2.468 -2.334 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.550 -2.700 -1.636 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.704 -3.359 -2.820 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.026 -1.730 -3.050 1.00 0.00 H new ATOM 1479 N SER A 91 3.347 -3.358 -5.548 1.00 0.00 N ATOM 1480 CA SER A 91 4.683 -3.896 -5.711 1.00 0.00 C ATOM 1481 C SER A 91 5.461 -3.745 -4.409 1.00 0.00 C ATOM 1482 O SER A 91 5.541 -2.650 -3.851 1.00 0.00 O ATOM 1483 CB SER A 91 5.397 -3.182 -6.863 1.00 0.00 C ATOM 1484 OG SER A 91 5.262 -1.775 -6.758 1.00 0.00 O ATOM 0 H SER A 91 3.274 -2.356 -5.723 1.00 0.00 H new ATOM 0 HA SER A 91 4.621 -4.957 -5.954 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.454 -3.449 -6.861 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.985 -3.519 -7.814 1.00 0.00 H new ATOM 0 HG SER A 91 5.855 -1.340 -7.406 1.00 0.00 H new ATOM 1490 N SER A 92 6.013 -4.845 -3.920 1.00 0.00 N ATOM 1491 CA SER A 92 6.707 -4.847 -2.642 1.00 0.00 C ATOM 1492 C SER A 92 8.216 -4.859 -2.832 1.00 0.00 C ATOM 1493 O SER A 92 8.751 -5.677 -3.580 1.00 0.00 O ATOM 1494 CB SER A 92 6.293 -6.066 -1.816 1.00 0.00 C ATOM 1495 OG SER A 92 4.888 -6.252 -1.858 1.00 0.00 O ATOM 0 H SER A 92 5.993 -5.750 -4.391 1.00 0.00 H new ATOM 0 HA SER A 92 6.429 -3.934 -2.115 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.793 -6.956 -2.198 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.616 -5.937 -0.783 1.00 0.00 H new ATOM 0 HG SER A 92 4.633 -6.622 -2.729 1.00 0.00 H new ATOM 1501 N PHE A 93 8.881 -3.937 -2.165 1.00 0.00 N ATOM 1502 CA PHE A 93 10.330 -3.919 -2.104 1.00 0.00 C ATOM 1503 C PHE A 93 10.770 -3.690 -0.668 1.00 0.00 C ATOM 1504 O PHE A 93 10.219 -2.846 0.027 1.00 0.00 O ATOM 1505 CB PHE A 93 10.885 -2.822 -3.021 1.00 0.00 C ATOM 1506 CG PHE A 93 12.348 -2.513 -2.808 1.00 0.00 C ATOM 1507 CD1 PHE A 93 13.328 -3.201 -3.505 1.00 0.00 C ATOM 1508 CD2 PHE A 93 12.739 -1.531 -1.905 1.00 0.00 C ATOM 1509 CE1 PHE A 93 14.668 -2.918 -3.305 1.00 0.00 C ATOM 1510 CE2 PHE A 93 14.076 -1.245 -1.702 1.00 0.00 C ATOM 1511 CZ PHE A 93 15.041 -1.939 -2.403 1.00 0.00 C ATOM 0 H PHE A 93 8.433 -3.179 -1.650 1.00 0.00 H new ATOM 0 HA PHE A 93 10.720 -4.877 -2.447 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.737 -3.123 -4.058 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.307 -1.910 -2.868 1.00 0.00 H new ATOM 0 HD1 PHE A 93 13.043 -3.966 -4.212 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.988 -0.984 -1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 93 15.422 -3.462 -3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 93 14.365 -0.480 -0.996 1.00 0.00 H new ATOM 0 HZ PHE A 93 16.087 -1.718 -2.247 1.00 0.00 H new ATOM 1521 N THR A 94 11.747 -4.448 -0.218 1.00 0.00 N ATOM 1522 CA THR A 94 12.273 -4.275 1.120 1.00 0.00 C ATOM 1523 C THR A 94 13.484 -3.356 1.101 1.00 0.00 C ATOM 1524 O THR A 94 14.550 -3.736 0.608 1.00 0.00 O ATOM 1525 CB THR A 94 12.667 -5.624 1.731 1.00 0.00 C ATOM 1526 OG1 THR A 94 13.516 -6.337 0.822 1.00 0.00 O ATOM 1527 CG2 THR A 94 11.439 -6.454 2.055 1.00 0.00 C ATOM 0 H THR A 94 12.193 -5.189 -0.758 1.00 0.00 H new ATOM 0 HA THR A 94 11.489 -3.826 1.730 1.00 0.00 H new ATOM 0 HB THR A 94 13.205 -5.438 2.660 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.154 -5.715 0.413 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.747 -7.406 2.487 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.815 -5.917 2.769 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.872 -6.637 1.142 1.00 0.00 H new ATOM 1535 N PHE A 95 13.324 -2.147 1.619 1.00 0.00 N ATOM 1536 CA PHE A 95 14.409 -1.184 1.607 1.00 0.00 C ATOM 1537 C PHE A 95 15.404 -1.516 2.708 1.00 0.00 C ATOM 1538 O PHE A 95 15.182 -1.211 3.882 1.00 0.00 O ATOM 1539 CB PHE A 95 13.880 0.242 1.771 1.00 0.00 C ATOM 1540 CG PHE A 95 14.740 1.277 1.101 1.00 0.00 C ATOM 1541 CD1 PHE A 95 15.921 1.704 1.682 1.00 0.00 C ATOM 1542 CD2 PHE A 95 14.362 1.822 -0.114 1.00 0.00 C ATOM 1543 CE1 PHE A 95 16.709 2.653 1.062 1.00 0.00 C ATOM 1544 CE2 PHE A 95 15.145 2.772 -0.739 1.00 0.00 C ATOM 1545 CZ PHE A 95 16.322 3.188 -0.149 1.00 0.00 C ATOM 0 H PHE A 95 12.461 -1.814 2.049 1.00 0.00 H new ATOM 0 HA PHE A 95 14.914 -1.242 0.643 1.00 0.00 H new ATOM 0 HB2 PHE A 95 12.872 0.297 1.361 1.00 0.00 H new ATOM 0 HB3 PHE A 95 13.805 0.474 2.833 1.00 0.00 H new ATOM 0 HD1 PHE A 95 16.230 1.290 2.631 1.00 0.00 H new ATOM 0 HD2 PHE A 95 13.442 1.500 -0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 95 17.629 2.977 1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 95 14.838 3.189 -1.687 1.00 0.00 H new ATOM 0 HZ PHE A 95 16.938 3.930 -0.634 1.00 0.00 H new ATOM 1555 N GLN A 96 16.478 -2.181 2.324 1.00 0.00 N ATOM 1556 CA GLN A 96 17.518 -2.556 3.261 1.00 0.00 C ATOM 1557 C GLN A 96 18.580 -1.479 3.335 1.00 0.00 C ATOM 1558 O GLN A 96 19.045 -0.977 2.308 1.00 0.00 O ATOM 1559 CB GLN A 96 18.155 -3.883 2.854 1.00 0.00 C ATOM 1560 CG GLN A 96 17.206 -5.060 2.963 1.00 0.00 C ATOM 1561 CD GLN A 96 17.871 -6.379 2.633 1.00 0.00 C ATOM 1562 OE1 GLN A 96 17.861 -6.826 1.487 1.00 0.00 O ATOM 1563 NE2 GLN A 96 18.462 -7.006 3.637 1.00 0.00 N ATOM 0 H GLN A 96 16.652 -2.474 1.363 1.00 0.00 H new ATOM 0 HA GLN A 96 17.062 -2.671 4.244 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.513 -3.807 1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.026 -4.068 3.482 1.00 0.00 H new ATOM 0 HG2 GLN A 96 16.803 -5.104 3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 96 16.362 -4.905 2.290 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.446 -6.599 4.572 1.00 0.00 H new ATOM 0 HE22 GLN A 96 18.933 -7.896 3.476 1.00 0.00 H new ATOM 1659 N ILE A 103 15.661 -3.846 7.454 1.00 0.00 N ATOM 1660 CA ILE A 103 14.640 -3.199 6.648 1.00 0.00 C ATOM 1661 C ILE A 103 14.179 -1.940 7.348 1.00 0.00 C ATOM 1662 O ILE A 103 13.453 -2.013 8.341 1.00 0.00 O ATOM 1663 CB ILE A 103 13.405 -4.100 6.445 1.00 0.00 C ATOM 1664 CG1 ILE A 103 13.820 -5.539 6.164 1.00 0.00 C ATOM 1665 CG2 ILE A 103 12.539 -3.564 5.313 1.00 0.00 C ATOM 1666 CD1 ILE A 103 14.619 -5.719 4.897 1.00 0.00 C ATOM 0 HA ILE A 103 15.082 -2.983 5.676 1.00 0.00 H new ATOM 0 HB ILE A 103 12.822 -4.091 7.366 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.408 -5.906 7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.925 -6.158 6.106 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.671 -4.210 5.181 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.206 -2.555 5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.119 -3.543 4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.873 -6.772 4.773 1.00 0.00 H new ATOM 0 HD12 ILE A 103 14.028 -5.386 4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 103 15.534 -5.130 4.957 1.00 0.00 H new ATOM 1678 N GLU A 104 14.602 -0.788 6.854 1.00 0.00 N ATOM 1679 CA GLU A 104 14.181 0.462 7.448 1.00 0.00 C ATOM 1680 C GLU A 104 12.690 0.665 7.234 1.00 0.00 C ATOM 1681 O GLU A 104 11.991 1.202 8.092 1.00 0.00 O ATOM 1682 CB GLU A 104 14.984 1.636 6.894 1.00 0.00 C ATOM 1683 CG GLU A 104 15.122 1.649 5.390 1.00 0.00 C ATOM 1684 CD GLU A 104 16.151 2.665 4.927 1.00 0.00 C ATOM 1685 OE1 GLU A 104 17.359 2.365 4.983 1.00 0.00 O ATOM 1686 OE2 GLU A 104 15.757 3.780 4.522 1.00 0.00 O ATOM 0 H GLU A 104 15.228 -0.696 6.054 1.00 0.00 H new ATOM 0 HA GLU A 104 14.373 0.417 8.520 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.510 2.565 7.210 1.00 0.00 H new ATOM 0 HB3 GLU A 104 15.980 1.619 7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 104 15.409 0.657 5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.157 1.878 4.938 1.00 0.00 H new ATOM 1693 N TYR A 105 12.228 0.209 6.081 1.00 0.00 N ATOM 1694 CA TYR A 105 10.816 0.246 5.723 1.00 0.00 C ATOM 1695 C TYR A 105 10.597 -0.489 4.410 1.00 0.00 C ATOM 1696 O TYR A 105 11.549 -0.853 3.717 1.00 0.00 O ATOM 1697 CB TYR A 105 10.297 1.693 5.604 1.00 0.00 C ATOM 1698 CG TYR A 105 11.206 2.625 4.826 1.00 0.00 C ATOM 1699 CD1 TYR A 105 11.333 2.529 3.444 1.00 0.00 C ATOM 1700 CD2 TYR A 105 11.950 3.597 5.482 1.00 0.00 C ATOM 1701 CE1 TYR A 105 12.174 3.373 2.746 1.00 0.00 C ATOM 1702 CE2 TYR A 105 12.786 4.448 4.788 1.00 0.00 C ATOM 1703 CZ TYR A 105 12.897 4.329 3.422 1.00 0.00 C ATOM 1704 OH TYR A 105 13.753 5.158 2.733 1.00 0.00 O ATOM 0 H TYR A 105 12.824 -0.200 5.362 1.00 0.00 H new ATOM 0 HA TYR A 105 10.257 -0.246 6.519 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.318 1.676 5.124 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.154 2.098 6.606 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.765 1.783 2.909 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.873 3.689 6.555 1.00 0.00 H new ATOM 0 HE1 TYR A 105 12.264 3.283 1.674 1.00 0.00 H new ATOM 0 HE2 TYR A 105 13.350 5.203 5.315 1.00 0.00 H new ATOM 0 HH TYR A 105 14.670 5.018 3.050 1.00 0.00 H new ATOM 1714 N ILE A 106 9.342 -0.712 4.083 1.00 0.00 N ATOM 1715 CA ILE A 106 8.970 -1.349 2.840 1.00 0.00 C ATOM 1716 C ILE A 106 8.573 -0.283 1.828 1.00 0.00 C ATOM 1717 O ILE A 106 7.949 0.718 2.186 1.00 0.00 O ATOM 1718 CB ILE A 106 7.784 -2.321 3.040 1.00 0.00 C ATOM 1719 CG1 ILE A 106 8.087 -3.324 4.156 1.00 0.00 C ATOM 1720 CG2 ILE A 106 7.465 -3.057 1.746 1.00 0.00 C ATOM 1721 CD1 ILE A 106 6.942 -4.272 4.436 1.00 0.00 C ATOM 0 H ILE A 106 8.550 -0.456 4.673 1.00 0.00 H new ATOM 0 HA ILE A 106 9.826 -1.919 2.479 1.00 0.00 H new ATOM 0 HB ILE A 106 6.913 -1.733 3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.970 -3.902 3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.330 -2.779 5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.628 -3.735 1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.201 -2.336 0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.337 -3.628 1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.223 -4.956 5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.063 -3.702 4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.713 -4.842 3.536 1.00 0.00 H new ATOM 1733 N ILE A 107 8.908 -0.510 0.574 1.00 0.00 N ATOM 1734 CA ILE A 107 8.560 0.413 -0.488 1.00 0.00 C ATOM 1735 C ILE A 107 7.503 -0.244 -1.354 1.00 0.00 C ATOM 1736 O ILE A 107 7.753 -1.285 -1.963 1.00 0.00 O ATOM 1737 CB ILE A 107 9.788 0.790 -1.352 1.00 0.00 C ATOM 1738 CG1 ILE A 107 10.789 1.597 -0.526 1.00 0.00 C ATOM 1739 CG2 ILE A 107 9.363 1.576 -2.591 1.00 0.00 C ATOM 1740 CD1 ILE A 107 10.246 2.925 -0.047 1.00 0.00 C ATOM 0 H ILE A 107 9.425 -1.333 0.264 1.00 0.00 H new ATOM 0 HA ILE A 107 8.185 1.336 -0.045 1.00 0.00 H new ATOM 0 HB ILE A 107 10.268 -0.131 -1.683 1.00 0.00 H new ATOM 0 HG12 ILE A 107 11.095 1.006 0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.683 1.774 -1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 107 10.244 1.829 -3.181 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.685 0.970 -3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.856 2.491 -2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 107 11.010 3.443 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 107 9.966 3.535 -0.906 1.00 0.00 H new ATOM 0 HD13 ILE A 107 9.370 2.755 0.578 1.00 0.00 H new ATOM 1752 N CYS A 108 6.320 0.333 -1.378 1.00 0.00 N ATOM 1753 CA CYS A 108 5.216 -0.269 -2.093 1.00 0.00 C ATOM 1754 C CYS A 108 4.552 0.720 -3.028 1.00 0.00 C ATOM 1755 O CYS A 108 4.177 1.820 -2.625 1.00 0.00 O ATOM 1756 CB CYS A 108 4.193 -0.833 -1.108 1.00 0.00 C ATOM 1757 SG CYS A 108 4.744 -2.328 -0.253 1.00 0.00 S ATOM 0 H CYS A 108 6.099 1.214 -0.913 1.00 0.00 H new ATOM 0 HA CYS A 108 5.616 -1.082 -2.699 1.00 0.00 H new ATOM 0 HB2 CYS A 108 3.957 -0.069 -0.367 1.00 0.00 H new ATOM 0 HB3 CYS A 108 3.270 -1.053 -1.644 1.00 0.00 H new ATOM 0 HG CYS A 108 4.744 -2.119 1.030 1.00 0.00 H new ATOM 1763 N THR A 109 4.427 0.329 -4.279 1.00 0.00 N ATOM 1764 CA THR A 109 3.680 1.108 -5.239 1.00 0.00 C ATOM 1765 C THR A 109 2.288 0.506 -5.384 1.00 0.00 C ATOM 1766 O THR A 109 2.149 -0.686 -5.657 1.00 0.00 O ATOM 1767 CB THR A 109 4.384 1.147 -6.610 1.00 0.00 C ATOM 1768 OG1 THR A 109 5.758 1.536 -6.445 1.00 0.00 O ATOM 1769 CG2 THR A 109 3.693 2.120 -7.553 1.00 0.00 C ATOM 0 H THR A 109 4.835 -0.527 -4.654 1.00 0.00 H new ATOM 0 HA THR A 109 3.612 2.134 -4.878 1.00 0.00 H new ATOM 0 HB THR A 109 4.333 0.148 -7.043 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.199 1.557 -7.320 1.00 0.00 H new ATOM 0 HG21 THR A 109 4.211 2.127 -8.512 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.659 1.810 -7.701 1.00 0.00 H new ATOM 0 HG23 THR A 109 3.714 3.121 -7.122 1.00 0.00 H new ATOM 1777 N ASN A 110 1.267 1.323 -5.196 1.00 0.00 N ATOM 1778 CA ASN A 110 -0.103 0.829 -5.221 1.00 0.00 C ATOM 1779 C ASN A 110 -0.767 1.239 -6.518 1.00 0.00 C ATOM 1780 O ASN A 110 -1.046 2.417 -6.737 1.00 0.00 O ATOM 1781 CB ASN A 110 -0.911 1.346 -4.026 1.00 0.00 C ATOM 1782 CG ASN A 110 -0.493 0.720 -2.704 1.00 0.00 C ATOM 1783 OD1 ASN A 110 0.674 0.403 -2.487 1.00 0.00 O ATOM 1784 ND2 ASN A 110 -1.455 0.513 -1.821 1.00 0.00 N ATOM 0 H ASN A 110 1.356 2.325 -5.025 1.00 0.00 H new ATOM 0 HA ASN A 110 -0.074 -0.258 -5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.798 2.428 -3.960 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.969 1.146 -4.197 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -1.239 0.077 -0.925 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -2.413 0.790 -2.036 1.00 0.00 H new ATOM 1791 N THR A 111 -1.028 0.262 -7.370 1.00 0.00 N ATOM 1792 CA THR A 111 -1.528 0.515 -8.700 1.00 0.00 C ATOM 1793 C THR A 111 -2.978 0.078 -8.806 1.00 0.00 C ATOM 1794 O THR A 111 -3.281 -1.116 -8.793 1.00 0.00 O ATOM 1795 CB THR A 111 -0.690 -0.244 -9.745 1.00 0.00 C ATOM 1796 OG1 THR A 111 0.708 -0.071 -9.469 1.00 0.00 O ATOM 1797 CG2 THR A 111 -0.998 0.248 -11.150 1.00 0.00 C ATOM 0 H THR A 111 -0.898 -0.726 -7.154 1.00 0.00 H new ATOM 0 HA THR A 111 -1.456 1.585 -8.894 1.00 0.00 H new ATOM 0 HB THR A 111 -0.946 -1.302 -9.685 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.214 -0.112 -10.307 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.393 -0.304 -11.870 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.054 0.090 -11.367 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.768 1.311 -11.222 1.00 0.00 H new ATOM 1805 N ASN A 112 -3.860 1.048 -8.917 1.00 0.00 N ATOM 1806 CA ASN A 112 -5.285 0.787 -9.021 1.00 0.00 C ATOM 1807 C ASN A 112 -5.618 0.420 -10.463 1.00 0.00 C ATOM 1808 O ASN A 112 -5.471 1.241 -11.369 1.00 0.00 O ATOM 1809 CB ASN A 112 -6.054 2.027 -8.568 1.00 0.00 C ATOM 1810 CG ASN A 112 -7.549 1.986 -8.877 1.00 0.00 C ATOM 1811 OD1 ASN A 112 -8.150 3.013 -9.189 1.00 0.00 O ATOM 1812 ND2 ASN A 112 -8.168 0.820 -8.760 1.00 0.00 N ATOM 0 H ASN A 112 -3.614 2.038 -8.938 1.00 0.00 H new ATOM 0 HA ASN A 112 -5.573 -0.046 -8.380 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.920 2.151 -7.493 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.620 2.905 -9.047 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -9.172 0.756 -8.930 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.641 -0.013 -8.500 1.00 0.00 H new ATOM 1819 N VAL A 113 -6.037 -0.825 -10.665 1.00 0.00 N ATOM 1820 CA VAL A 113 -6.271 -1.338 -12.005 1.00 0.00 C ATOM 1821 C VAL A 113 -7.701 -1.036 -12.450 1.00 0.00 C ATOM 1822 O VAL A 113 -7.998 0.080 -12.876 1.00 0.00 O ATOM 1823 CB VAL A 113 -6.001 -2.861 -12.089 1.00 0.00 C ATOM 1824 CG1 VAL A 113 -5.981 -3.337 -13.537 1.00 0.00 C ATOM 1825 CG2 VAL A 113 -4.692 -3.216 -11.390 1.00 0.00 C ATOM 0 H VAL A 113 -6.220 -1.494 -9.918 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.573 -0.835 -12.675 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.816 -3.373 -11.577 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.789 -4.410 -13.565 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.945 -3.128 -14.002 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.195 -2.814 -14.081 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.521 -4.290 -11.461 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.869 -2.686 -11.868 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.750 -2.926 -10.341 1.00 0.00 H new