USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1013 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 23 MET CE :methyl 141:sc= -0.414 (180deg=-0.504) USER MOD Set 1.2: A 53 MET CE :methyl -153:sc= -0.0603 (180deg=-0.758) USER MOD Set 2.1: A 45 ASN : amide:sc= -1.74 K(o=-0.41,f=-7.6!) USER MOD Set 2.2: A 48 THR OG1 : rot -123:sc= 1.33 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc=-0.00108 K(o=-0.0011,f=-1.1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= 1.08 (180deg=0.864) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= 0.581 (180deg=0.189) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00937 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.913 K(o=-0.91,f=-3.4) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 62:sc= 0.97 USER MOD Single : A 57 THR OG1 : rot -25:sc= 0.333 USER MOD Single : A 58 LYS NZ :NH3+ 152:sc= 1.25 (180deg=1.14) USER MOD Single : A 60 ASN : amide:sc= -0.0776 X(o=-0.078,f=-0.019) USER MOD Single : A 61 MET CE :methyl -150:sc= -0.234 (180deg=-2.12!) USER MOD Single : A 67 ASN : amide:sc= -0.396 X(o=-0.4,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.0799 X(o=-0.08,f=-0.33) USER MOD Single : A 72 ASN : amide:sc= -0.437 X(o=-0.44,f=-0.81) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 171:sc= 1.3 (180deg=1.18) USER MOD Single : A 79 LYS NZ :NH3+ -124:sc= -0.0767 (180deg=-0.0828) USER MOD Single : A 80 HIS : no HD1:sc= -0.437 K(o=-0.44,f=0.084) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -155:sc= 0 (180deg=-0.645) USER MOD Single : A 88 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.16) USER MOD Single : A 89 GLN : amide:sc= 0.734 K(o=0.73,f=-3.6!) USER MOD Single : A 95 HIS : no HE2:sc= -0.0634 K(o=-0.063,f=-0.92) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 161:sc=-0.00877 USER MOD Single : A 101 THR OG1 : rot 84:sc= 1.28 USER MOD Single : A 104 ASN : amide:sc= 0.742 K(o=0.74,f=-6.1!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 83:sc= 1.22 USER MOD Single : A 116 THR OG1 : rot 81:sc= 1.31 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.038) USER MOD Single : A 124 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0281) USER MOD Single : A 126 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.51) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 MET CE :methyl 148:sc= -0.278 (180deg=-1.47!) USER MOD ----------------------------------------------------------------- ATOM 113 N LEU A 8 1.795 5.510 10.590 1.00 0.00 N ATOM 114 CA LEU A 8 1.349 5.819 9.242 1.00 0.00 C ATOM 115 C LEU A 8 1.378 7.314 8.914 1.00 0.00 C ATOM 116 O LEU A 8 0.503 8.091 9.312 1.00 0.00 O ATOM 117 CB LEU A 8 0.028 5.076 8.991 1.00 0.00 C ATOM 118 CG LEU A 8 -0.563 5.188 7.582 1.00 0.00 C ATOM 119 CD1 LEU A 8 -1.426 6.439 7.453 1.00 0.00 C ATOM 120 CD2 LEU A 8 0.508 5.130 6.492 1.00 0.00 C ATOM 0 HA LEU A 8 2.062 5.445 8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.183 4.020 9.213 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.711 5.446 9.701 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.202 4.318 7.432 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.835 6.497 6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.243 6.393 8.173 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.818 7.322 7.649 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.036 5.214 5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.210 5.953 6.628 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.043 4.182 6.557 1.00 0.00 H new ATOM 132 N SER A 9 2.421 7.726 8.202 1.00 0.00 N ATOM 133 CA SER A 9 2.625 9.086 7.735 1.00 0.00 C ATOM 134 C SER A 9 1.655 9.418 6.600 1.00 0.00 C ATOM 135 O SER A 9 1.048 10.490 6.644 1.00 0.00 O ATOM 136 CB SER A 9 4.079 9.264 7.280 1.00 0.00 C ATOM 137 OG SER A 9 4.961 8.813 8.286 1.00 0.00 O ATOM 0 H SER A 9 3.174 7.096 7.926 1.00 0.00 H new ATOM 0 HA SER A 9 2.427 9.776 8.555 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.251 8.707 6.359 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.273 10.314 7.059 1.00 0.00 H new ATOM 0 HG SER A 9 5.887 8.929 7.986 1.00 0.00 H new ATOM 143 N LEU A 10 1.510 8.539 5.599 1.00 0.00 N ATOM 144 CA LEU A 10 0.786 8.829 4.359 1.00 0.00 C ATOM 145 C LEU A 10 -0.663 9.274 4.600 1.00 0.00 C ATOM 146 O LEU A 10 -1.310 8.870 5.567 1.00 0.00 O ATOM 147 CB LEU A 10 0.822 7.628 3.386 1.00 0.00 C ATOM 148 CG LEU A 10 2.144 7.350 2.634 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.977 6.286 1.539 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.697 8.621 1.975 1.00 0.00 C ATOM 0 H LEU A 10 1.898 7.596 5.630 1.00 0.00 H new ATOM 0 HA LEU A 10 1.309 9.668 3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.562 6.732 3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.038 7.775 2.643 1.00 0.00 H new ATOM 0 HG LEU A 10 2.840 6.987 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.932 6.125 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.641 5.351 1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.239 6.625 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.626 8.387 1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.970 9.006 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.888 9.374 2.740 1.00 0.00 H new ATOM 162 N ASN A 11 -1.219 10.079 3.691 1.00 0.00 N ATOM 163 CA ASN A 11 -2.559 10.657 3.846 1.00 0.00 C ATOM 164 C ASN A 11 -3.657 9.699 3.356 1.00 0.00 C ATOM 165 O ASN A 11 -4.469 10.019 2.484 1.00 0.00 O ATOM 166 CB ASN A 11 -2.610 12.011 3.134 1.00 0.00 C ATOM 167 CG ASN A 11 -3.814 12.857 3.533 1.00 0.00 C ATOM 168 OD1 ASN A 11 -4.694 12.446 4.291 1.00 0.00 O ATOM 169 ND2 ASN A 11 -3.837 14.088 3.046 1.00 0.00 N ATOM 0 H ASN A 11 -0.753 10.350 2.825 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.756 10.815 4.906 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.697 12.564 3.354 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.631 11.847 2.057 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.596 14.722 3.297 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.096 14.403 2.420 1.00 0.00 H new ATOM 176 N PHE A 12 -3.671 8.474 3.884 1.00 0.00 N ATOM 177 CA PHE A 12 -4.563 7.426 3.412 1.00 0.00 C ATOM 178 C PHE A 12 -6.030 7.723 3.698 1.00 0.00 C ATOM 179 O PHE A 12 -6.878 7.281 2.928 1.00 0.00 O ATOM 180 CB PHE A 12 -4.151 6.082 4.012 1.00 0.00 C ATOM 181 CG PHE A 12 -3.065 5.388 3.221 1.00 0.00 C ATOM 182 CD1 PHE A 12 -3.364 4.798 1.979 1.00 0.00 C ATOM 183 CD2 PHE A 12 -1.755 5.328 3.717 1.00 0.00 C ATOM 184 CE1 PHE A 12 -2.355 4.156 1.240 1.00 0.00 C ATOM 185 CE2 PHE A 12 -0.747 4.673 2.987 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.046 4.093 1.747 1.00 0.00 C ATOM 0 H PHE A 12 -3.063 8.185 4.650 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.467 7.383 2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.805 6.238 5.034 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.024 5.432 4.067 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.372 4.838 1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.519 5.788 4.665 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.586 3.711 0.283 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.257 4.617 3.382 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.271 3.598 1.181 1.00 0.00 H new ATOM 196 N GLY A 13 -6.361 8.486 4.744 1.00 0.00 N ATOM 197 CA GLY A 13 -7.752 8.792 5.068 1.00 0.00 C ATOM 198 C GLY A 13 -8.446 9.539 3.925 1.00 0.00 C ATOM 199 O GLY A 13 -9.568 9.181 3.558 1.00 0.00 O ATOM 0 H GLY A 13 -5.681 8.902 5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.289 7.867 5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.791 9.396 5.975 1.00 0.00 H new ATOM 203 N LYS A 14 -7.770 10.523 3.313 1.00 0.00 N ATOM 204 CA LYS A 14 -8.234 11.196 2.094 1.00 0.00 C ATOM 205 C LYS A 14 -8.418 10.186 0.969 1.00 0.00 C ATOM 206 O LYS A 14 -9.485 10.109 0.372 1.00 0.00 O ATOM 207 CB LYS A 14 -7.221 12.273 1.653 1.00 0.00 C ATOM 208 CG LYS A 14 -7.497 13.692 2.163 1.00 0.00 C ATOM 209 CD LYS A 14 -8.689 14.356 1.453 1.00 0.00 C ATOM 210 CE LYS A 14 -8.688 15.856 1.787 1.00 0.00 C ATOM 211 NZ LYS A 14 -10.000 16.495 1.558 1.00 0.00 N ATOM 0 H LYS A 14 -6.877 10.876 3.655 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.190 11.672 2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.229 11.972 1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.195 12.297 0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.691 13.657 3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.607 14.305 2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.617 14.209 0.375 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.624 13.898 1.775 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.400 15.991 2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.934 16.358 1.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.941 17.505 1.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.266 16.393 0.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.718 16.038 2.155 1.00 0.00 H new ATOM 225 N ALA A 15 -7.375 9.422 0.644 1.00 0.00 N ATOM 226 CA ALA A 15 -7.414 8.529 -0.506 1.00 0.00 C ATOM 227 C ALA A 15 -8.500 7.451 -0.358 1.00 0.00 C ATOM 228 O ALA A 15 -9.156 7.107 -1.339 1.00 0.00 O ATOM 229 CB ALA A 15 -6.038 7.887 -0.671 1.00 0.00 C ATOM 0 H ALA A 15 -6.496 9.406 1.162 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.666 9.109 -1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.051 7.215 -1.529 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.291 8.664 -0.830 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.789 7.323 0.228 1.00 0.00 H new ATOM 235 N LEU A 16 -8.713 6.917 0.852 1.00 0.00 N ATOM 236 CA LEU A 16 -9.808 5.993 1.156 1.00 0.00 C ATOM 237 C LEU A 16 -11.136 6.683 0.927 1.00 0.00 C ATOM 238 O LEU A 16 -11.986 6.088 0.285 1.00 0.00 O ATOM 239 CB LEU A 16 -9.757 5.482 2.608 1.00 0.00 C ATOM 240 CG LEU A 16 -9.024 4.135 2.711 1.00 0.00 C ATOM 241 CD1 LEU A 16 -8.247 4.057 4.017 1.00 0.00 C ATOM 242 CD2 LEU A 16 -9.956 2.915 2.666 1.00 0.00 C ATOM 0 H LEU A 16 -8.120 7.119 1.657 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.698 5.135 0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.255 6.218 3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.771 5.375 2.992 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.369 4.100 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.732 3.098 4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.516 4.864 4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.936 4.153 4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.365 2.003 2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.660 2.964 3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.506 2.912 1.725 1.00 0.00 H new ATOM 254 N ASP A 17 -11.307 7.923 1.389 1.00 0.00 N ATOM 255 CA ASP A 17 -12.541 8.697 1.216 1.00 0.00 C ATOM 256 C ASP A 17 -12.926 8.878 -0.251 1.00 0.00 C ATOM 257 O ASP A 17 -14.079 9.185 -0.551 1.00 0.00 O ATOM 258 CB ASP A 17 -12.370 10.091 1.824 1.00 0.00 C ATOM 259 CG ASP A 17 -13.693 10.826 2.016 1.00 0.00 C ATOM 260 OD1 ASP A 17 -14.745 10.207 2.301 1.00 0.00 O ATOM 261 OD2 ASP A 17 -13.679 12.071 1.909 1.00 0.00 O ATOM 0 H ASP A 17 -10.583 8.426 1.901 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.328 8.133 1.716 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.868 10.002 2.787 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.721 10.685 1.180 1.00 0.00 H new ATOM 266 N GLU A 18 -11.980 8.672 -1.168 1.00 0.00 N ATOM 267 CA GLU A 18 -12.222 8.682 -2.595 1.00 0.00 C ATOM 268 C GLU A 18 -12.442 7.257 -3.082 1.00 0.00 C ATOM 269 O GLU A 18 -13.500 6.967 -3.634 1.00 0.00 O ATOM 270 CB GLU A 18 -11.064 9.392 -3.320 1.00 0.00 C ATOM 271 CG GLU A 18 -10.830 10.835 -2.831 1.00 0.00 C ATOM 272 CD GLU A 18 -11.198 11.859 -3.898 1.00 0.00 C ATOM 273 OE1 GLU A 18 -10.388 12.105 -4.815 1.00 0.00 O ATOM 274 OE2 GLU A 18 -12.324 12.407 -3.832 1.00 0.00 O ATOM 0 H GLU A 18 -11.006 8.490 -0.925 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.127 9.245 -2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.149 8.816 -3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.270 9.408 -4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.422 11.016 -1.934 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.784 10.960 -2.553 1.00 0.00 H new ATOM 281 N CYS A 19 -11.497 6.344 -2.838 1.00 0.00 N ATOM 282 CA CYS A 19 -11.586 4.952 -3.256 1.00 0.00 C ATOM 283 C CYS A 19 -12.888 4.294 -2.818 1.00 0.00 C ATOM 284 O CYS A 19 -13.510 3.579 -3.600 1.00 0.00 O ATOM 285 CB CYS A 19 -10.391 4.181 -2.690 1.00 0.00 C ATOM 286 SG CYS A 19 -8.961 4.193 -3.786 1.00 0.00 S ATOM 0 H CYS A 19 -10.636 6.561 -2.336 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.571 4.929 -4.346 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -10.109 4.613 -1.730 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.688 3.149 -2.501 1.00 0.00 H new ATOM 291 N LYS A 20 -13.320 4.555 -1.587 1.00 0.00 N ATOM 292 CA LYS A 20 -14.549 4.030 -1.032 1.00 0.00 C ATOM 293 C LYS A 20 -15.736 4.432 -1.878 1.00 0.00 C ATOM 294 O LYS A 20 -16.671 3.652 -2.016 1.00 0.00 O ATOM 295 CB LYS A 20 -14.686 4.502 0.422 1.00 0.00 C ATOM 296 CG LYS A 20 -14.970 5.979 0.703 1.00 0.00 C ATOM 297 CD LYS A 20 -16.426 6.234 1.078 1.00 0.00 C ATOM 298 CE LYS A 20 -16.695 5.668 2.486 1.00 0.00 C ATOM 299 NZ LYS A 20 -18.115 5.698 2.877 1.00 0.00 N ATOM 0 H LYS A 20 -12.808 5.152 -0.938 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.520 2.940 -1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.485 3.921 0.882 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.763 4.241 0.940 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.325 6.322 1.512 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.717 6.568 -0.178 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.637 7.303 1.057 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.089 5.764 0.352 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.338 4.639 2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.115 6.237 3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.194 5.582 3.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.533 6.609 2.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.622 4.925 2.402 1.00 0.00 H new ATOM 313 N LYS A 21 -15.714 5.636 -2.454 1.00 0.00 N ATOM 314 CA LYS A 21 -16.800 6.099 -3.284 1.00 0.00 C ATOM 315 C LYS A 21 -16.644 5.470 -4.665 1.00 0.00 C ATOM 316 O LYS A 21 -17.635 4.961 -5.183 1.00 0.00 O ATOM 317 CB LYS A 21 -16.860 7.637 -3.294 1.00 0.00 C ATOM 318 CG LYS A 21 -17.018 8.148 -1.849 1.00 0.00 C ATOM 319 CD LYS A 21 -17.038 9.664 -1.711 1.00 0.00 C ATOM 320 CE LYS A 21 -17.069 10.007 -0.217 1.00 0.00 C ATOM 321 NZ LYS A 21 -16.151 11.111 0.090 1.00 0.00 N ATOM 0 H LYS A 21 -14.948 6.302 -2.353 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.765 5.784 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.953 8.045 -3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.696 7.976 -3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.943 7.746 -1.435 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.201 7.752 -1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.158 10.101 -2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.910 10.080 -2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.083 10.281 0.076 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.795 9.128 0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.996 11.158 1.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.243 10.951 -0.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.563 12.007 -0.239 1.00 0.00 H new ATOM 335 N GLU A 22 -15.424 5.421 -5.217 1.00 0.00 N ATOM 336 CA GLU A 22 -15.154 4.878 -6.549 1.00 0.00 C ATOM 337 C GLU A 22 -15.662 3.438 -6.655 1.00 0.00 C ATOM 338 O GLU A 22 -16.494 3.162 -7.517 1.00 0.00 O ATOM 339 CB GLU A 22 -13.666 4.995 -6.954 1.00 0.00 C ATOM 340 CG GLU A 22 -13.103 6.426 -6.858 1.00 0.00 C ATOM 341 CD GLU A 22 -12.148 6.799 -7.995 1.00 0.00 C ATOM 342 OE1 GLU A 22 -11.028 6.246 -8.062 1.00 0.00 O ATOM 343 OE2 GLU A 22 -12.477 7.728 -8.774 1.00 0.00 O ATOM 0 H GLU A 22 -14.588 5.763 -4.742 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.705 5.489 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.074 4.339 -6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.549 4.637 -7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.933 7.132 -6.849 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.580 6.536 -5.908 1.00 0.00 H new ATOM 350 N MET A 23 -15.218 2.535 -5.771 1.00 0.00 N ATOM 351 CA MET A 23 -15.608 1.121 -5.818 1.00 0.00 C ATOM 352 C MET A 23 -16.891 0.833 -5.022 1.00 0.00 C ATOM 353 O MET A 23 -17.281 -0.331 -4.887 1.00 0.00 O ATOM 354 CB MET A 23 -14.490 0.177 -5.341 1.00 0.00 C ATOM 355 CG MET A 23 -13.115 0.777 -5.069 1.00 0.00 C ATOM 356 SD MET A 23 -11.787 -0.431 -4.882 1.00 0.00 S ATOM 357 CE MET A 23 -11.548 -0.911 -6.607 1.00 0.00 C ATOM 0 H MET A 23 -14.582 2.763 -5.007 1.00 0.00 H new ATOM 0 HA MET A 23 -15.801 0.921 -6.872 1.00 0.00 H new ATOM 0 HB2 MET A 23 -14.830 -0.308 -4.426 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.371 -0.605 -6.091 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.861 1.452 -5.886 1.00 0.00 H new ATOM 0 HG3 MET A 23 -13.170 1.380 -4.162 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.484 -1.042 -6.804 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.071 -1.848 -6.800 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.945 -0.133 -7.259 1.00 0.00 H new ATOM 367 N THR A 24 -17.503 1.868 -4.438 1.00 0.00 N ATOM 368 CA THR A 24 -18.655 1.813 -3.547 1.00 0.00 C ATOM 369 C THR A 24 -18.486 0.803 -2.380 1.00 0.00 C ATOM 370 O THR A 24 -19.472 0.243 -1.876 1.00 0.00 O ATOM 371 CB THR A 24 -19.936 1.732 -4.406 1.00 0.00 C ATOM 372 OG1 THR A 24 -21.043 2.239 -3.694 1.00 0.00 O ATOM 373 CG2 THR A 24 -20.273 0.347 -4.947 1.00 0.00 C ATOM 0 H THR A 24 -17.183 2.825 -4.588 1.00 0.00 H new ATOM 0 HA THR A 24 -18.752 2.734 -2.971 1.00 0.00 H new ATOM 0 HB THR A 24 -19.718 2.346 -5.280 1.00 0.00 H new ATOM 0 HG1 THR A 24 -21.846 2.182 -4.253 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.189 0.399 -5.536 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.456 -0.006 -5.577 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.415 -0.344 -4.116 1.00 0.00 H new ATOM 381 N LEU A 25 -17.235 0.575 -1.944 1.00 0.00 N ATOM 382 CA LEU A 25 -16.890 -0.334 -0.838 1.00 0.00 C ATOM 383 C LEU A 25 -17.636 0.076 0.440 1.00 0.00 C ATOM 384 O LEU A 25 -18.231 1.158 0.528 1.00 0.00 O ATOM 385 CB LEU A 25 -15.364 -0.397 -0.508 1.00 0.00 C ATOM 386 CG LEU A 25 -14.357 -0.410 -1.673 1.00 0.00 C ATOM 387 CD1 LEU A 25 -12.947 -0.089 -1.160 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.318 -1.785 -2.342 1.00 0.00 C ATOM 0 H LEU A 25 -16.420 1.026 -2.359 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.191 -1.324 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.127 0.458 0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.191 -1.293 0.089 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.678 0.342 -2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.245 -0.101 -1.994 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.944 0.898 -0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.649 -0.835 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.600 -1.770 -3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.019 -2.537 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.307 -2.029 -2.730 1.00 0.00 H new ATOM 400 N THR A 26 -17.515 -0.748 1.476 1.00 0.00 N ATOM 401 CA THR A 26 -18.083 -0.458 2.785 1.00 0.00 C ATOM 402 C THR A 26 -17.350 0.715 3.437 1.00 0.00 C ATOM 403 O THR A 26 -16.323 1.176 2.944 1.00 0.00 O ATOM 404 CB THR A 26 -18.142 -1.725 3.658 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.992 -2.544 3.576 1.00 0.00 O ATOM 406 CG2 THR A 26 -19.334 -2.573 3.214 1.00 0.00 C ATOM 0 H THR A 26 -17.019 -1.638 1.430 1.00 0.00 H new ATOM 0 HA THR A 26 -19.119 -0.140 2.667 1.00 0.00 H new ATOM 0 HB THR A 26 -18.223 -1.375 4.687 1.00 0.00 H new ATOM 0 HG1 THR A 26 -17.104 -3.325 4.157 1.00 0.00 H new ATOM 0 HG21 THR A 26 -19.387 -3.474 3.825 1.00 0.00 H new ATOM 0 HG22 THR A 26 -20.253 -1.999 3.333 1.00 0.00 H new ATOM 0 HG23 THR A 26 -19.213 -2.851 2.167 1.00 0.00 H new ATOM 414 N ASP A 27 -17.863 1.222 4.553 1.00 0.00 N ATOM 415 CA ASP A 27 -17.235 2.327 5.265 1.00 0.00 C ATOM 416 C ASP A 27 -16.120 1.839 6.204 1.00 0.00 C ATOM 417 O ASP A 27 -15.203 2.604 6.514 1.00 0.00 O ATOM 418 CB ASP A 27 -18.328 3.088 6.019 1.00 0.00 C ATOM 419 CG ASP A 27 -17.831 4.452 6.470 1.00 0.00 C ATOM 420 OD1 ASP A 27 -17.593 5.331 5.611 1.00 0.00 O ATOM 421 OD2 ASP A 27 -17.703 4.658 7.699 1.00 0.00 O ATOM 0 H ASP A 27 -18.721 0.880 4.987 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.750 2.996 4.554 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.201 3.209 5.377 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.648 2.509 6.885 1.00 0.00 H new ATOM 426 N ALA A 28 -16.182 0.560 6.609 1.00 0.00 N ATOM 427 CA ALA A 28 -15.321 -0.095 7.599 1.00 0.00 C ATOM 428 C ALA A 28 -13.835 -0.046 7.244 1.00 0.00 C ATOM 429 O ALA A 28 -13.011 0.208 8.112 1.00 0.00 O ATOM 430 CB ALA A 28 -15.745 -1.564 7.757 1.00 0.00 C ATOM 0 H ALA A 28 -16.878 -0.081 6.229 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.447 0.457 8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.105 -2.050 8.493 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.782 -1.610 8.091 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.650 -2.075 6.799 1.00 0.00 H new ATOM 436 N ILE A 29 -13.516 -0.270 5.971 1.00 0.00 N ATOM 437 CA ILE A 29 -12.272 -0.159 5.212 1.00 0.00 C ATOM 438 C ILE A 29 -11.417 0.988 5.706 1.00 0.00 C ATOM 439 O ILE A 29 -10.208 0.844 5.823 1.00 0.00 O ATOM 440 CB ILE A 29 -12.692 0.115 3.760 1.00 0.00 C ATOM 441 CG1 ILE A 29 -13.904 -0.686 3.269 1.00 0.00 C ATOM 442 CG2 ILE A 29 -11.599 -0.085 2.728 1.00 0.00 C ATOM 443 CD1 ILE A 29 -13.589 -2.177 3.241 1.00 0.00 C ATOM 0 H ILE A 29 -14.255 -0.588 5.344 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.680 -1.068 5.317 1.00 0.00 H new ATOM 0 HB ILE A 29 -12.951 1.172 3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.757 -0.502 3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -14.188 -0.350 2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.992 0.132 1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.767 0.586 2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.251 -1.117 2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.462 -2.727 2.890 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.751 -2.359 2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.328 -2.513 4.245 1.00 0.00 H new ATOM 455 N ASN A 30 -12.079 2.105 6.007 1.00 0.00 N ATOM 456 CA ASN A 30 -11.416 3.289 6.554 1.00 0.00 C ATOM 457 C ASN A 30 -10.476 2.963 7.719 1.00 0.00 C ATOM 458 O ASN A 30 -9.406 3.553 7.832 1.00 0.00 O ATOM 459 CB ASN A 30 -12.441 4.288 7.068 1.00 0.00 C ATOM 460 CG ASN A 30 -11.739 5.540 7.562 1.00 0.00 C ATOM 461 OD1 ASN A 30 -11.664 5.791 8.763 1.00 0.00 O ATOM 462 ND2 ASN A 30 -11.220 6.350 6.653 1.00 0.00 N ATOM 0 H ASN A 30 -13.085 2.215 5.879 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.833 3.703 5.732 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.143 4.543 6.274 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.022 3.843 7.876 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.745 7.205 6.943 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.295 6.120 5.662 1.00 0.00 H new ATOM 469 N GLU A 31 -10.901 2.040 8.578 1.00 0.00 N ATOM 470 CA GLU A 31 -10.132 1.480 9.677 1.00 0.00 C ATOM 471 C GLU A 31 -9.635 0.080 9.313 1.00 0.00 C ATOM 472 O GLU A 31 -8.513 -0.265 9.655 1.00 0.00 O ATOM 473 CB GLU A 31 -11.015 1.430 10.931 1.00 0.00 C ATOM 474 CG GLU A 31 -10.977 2.739 11.733 1.00 0.00 C ATOM 475 CD GLU A 31 -9.794 2.732 12.704 1.00 0.00 C ATOM 476 OE1 GLU A 31 -8.637 2.926 12.269 1.00 0.00 O ATOM 477 OE2 GLU A 31 -10.000 2.460 13.914 1.00 0.00 O ATOM 0 H GLU A 31 -11.840 1.645 8.520 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.263 2.107 9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.043 1.217 10.638 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.688 0.608 11.568 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.894 3.587 11.054 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.909 2.863 12.285 1.00 0.00 H new ATOM 484 N ASP A 32 -10.423 -0.742 8.618 1.00 0.00 N ATOM 485 CA ASP A 32 -10.104 -2.151 8.370 1.00 0.00 C ATOM 486 C ASP A 32 -8.845 -2.336 7.508 1.00 0.00 C ATOM 487 O ASP A 32 -8.105 -3.302 7.676 1.00 0.00 O ATOM 488 CB ASP A 32 -11.306 -2.853 7.746 1.00 0.00 C ATOM 489 CG ASP A 32 -11.065 -4.348 7.573 1.00 0.00 C ATOM 490 OD1 ASP A 32 -11.328 -5.100 8.540 1.00 0.00 O ATOM 491 OD2 ASP A 32 -10.813 -4.783 6.431 1.00 0.00 O ATOM 0 H ASP A 32 -11.309 -0.447 8.207 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.880 -2.609 9.333 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.183 -2.697 8.374 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.524 -2.406 6.776 1.00 0.00 H new ATOM 496 N PHE A 33 -8.541 -1.361 6.649 1.00 0.00 N ATOM 497 CA PHE A 33 -7.286 -1.254 5.918 1.00 0.00 C ATOM 498 C PHE A 33 -6.111 -1.129 6.883 1.00 0.00 C ATOM 499 O PHE A 33 -5.105 -1.818 6.741 1.00 0.00 O ATOM 500 CB PHE A 33 -7.382 -0.027 5.007 1.00 0.00 C ATOM 501 CG PHE A 33 -6.111 0.355 4.265 1.00 0.00 C ATOM 502 CD1 PHE A 33 -5.405 -0.580 3.483 1.00 0.00 C ATOM 503 CD2 PHE A 33 -5.615 1.666 4.381 1.00 0.00 C ATOM 504 CE1 PHE A 33 -4.227 -0.186 2.821 1.00 0.00 C ATOM 505 CE2 PHE A 33 -4.485 2.070 3.659 1.00 0.00 C ATOM 506 CZ PHE A 33 -3.784 1.145 2.872 1.00 0.00 C ATOM 0 H PHE A 33 -9.187 -0.600 6.439 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.115 -2.150 5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.168 -0.205 4.273 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.697 0.825 5.610 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.766 -1.594 3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.111 2.369 5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.657 -0.917 2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.153 3.096 3.708 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.914 1.453 2.312 1.00 0.00 H new ATOM 516 N TYR A 34 -6.243 -0.241 7.863 1.00 0.00 N ATOM 517 CA TYR A 34 -5.252 -0.026 8.910 1.00 0.00 C ATOM 518 C TYR A 34 -5.155 -1.279 9.792 1.00 0.00 C ATOM 519 O TYR A 34 -4.074 -1.654 10.256 1.00 0.00 O ATOM 520 CB TYR A 34 -5.599 1.211 9.751 1.00 0.00 C ATOM 521 CG TYR A 34 -5.532 2.545 9.021 1.00 0.00 C ATOM 522 CD1 TYR A 34 -6.384 2.817 7.933 1.00 0.00 C ATOM 523 CD2 TYR A 34 -4.650 3.547 9.463 1.00 0.00 C ATOM 524 CE1 TYR A 34 -6.359 4.059 7.278 1.00 0.00 C ATOM 525 CE2 TYR A 34 -4.614 4.801 8.825 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.473 5.062 7.731 1.00 0.00 C ATOM 527 OH TYR A 34 -5.537 6.316 7.209 1.00 0.00 O ATOM 0 H TYR A 34 -7.060 0.362 7.953 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.283 0.156 8.446 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.606 1.086 10.150 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.921 1.250 10.604 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.071 2.055 7.595 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.995 3.353 10.299 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.010 4.245 6.437 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.931 5.563 9.170 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.858 6.882 7.633 1.00 0.00 H new ATOM 537 N ASN A 35 -6.295 -1.939 10.011 1.00 0.00 N ATOM 538 CA ASN A 35 -6.424 -3.170 10.781 1.00 0.00 C ATOM 539 C ASN A 35 -5.699 -4.334 10.115 1.00 0.00 C ATOM 540 O ASN A 35 -5.218 -5.208 10.828 1.00 0.00 O ATOM 541 CB ASN A 35 -7.883 -3.577 11.034 1.00 0.00 C ATOM 542 CG ASN A 35 -8.677 -2.642 11.941 1.00 0.00 C ATOM 543 OD1 ASN A 35 -8.232 -1.563 12.327 1.00 0.00 O ATOM 544 ND2 ASN A 35 -9.860 -3.056 12.353 1.00 0.00 N ATOM 0 H ASN A 35 -7.188 -1.614 9.640 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.960 -2.949 11.742 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.395 -3.645 10.074 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.893 -4.575 11.472 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.407 -2.480 12.993 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.227 -3.952 12.031 1.00 0.00 H new ATOM 551 N PHE A 36 -5.560 -4.362 8.787 1.00 0.00 N ATOM 552 CA PHE A 36 -4.765 -5.386 8.104 1.00 0.00 C ATOM 553 C PHE A 36 -3.285 -5.321 8.517 1.00 0.00 C ATOM 554 O PHE A 36 -2.559 -6.300 8.342 1.00 0.00 O ATOM 555 CB PHE A 36 -4.949 -5.247 6.580 1.00 0.00 C ATOM 556 CG PHE A 36 -4.028 -6.052 5.670 1.00 0.00 C ATOM 557 CD1 PHE A 36 -3.951 -7.456 5.757 1.00 0.00 C ATOM 558 CD2 PHE A 36 -3.253 -5.384 4.700 1.00 0.00 C ATOM 559 CE1 PHE A 36 -3.111 -8.178 4.891 1.00 0.00 C ATOM 560 CE2 PHE A 36 -2.418 -6.108 3.829 1.00 0.00 C ATOM 561 CZ PHE A 36 -2.344 -7.507 3.926 1.00 0.00 C ATOM 0 H PHE A 36 -5.991 -3.683 8.160 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.121 -6.371 8.405 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.977 -5.521 6.342 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.833 -4.194 6.325 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.541 -7.981 6.494 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.301 -4.308 4.625 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.056 -9.254 4.969 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.833 -5.587 3.085 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.700 -8.064 3.261 1.00 0.00 H new ATOM 571 N TRP A 37 -2.813 -4.202 9.081 1.00 0.00 N ATOM 572 CA TRP A 37 -1.460 -4.101 9.614 1.00 0.00 C ATOM 573 C TRP A 37 -1.393 -4.483 11.091 1.00 0.00 C ATOM 574 O TRP A 37 -0.286 -4.686 11.584 1.00 0.00 O ATOM 575 CB TRP A 37 -0.913 -2.680 9.442 1.00 0.00 C ATOM 576 CG TRP A 37 -1.259 -1.960 8.177 1.00 0.00 C ATOM 577 CD1 TRP A 37 -1.444 -2.519 6.960 1.00 0.00 C ATOM 578 CD2 TRP A 37 -1.587 -0.553 8.026 1.00 0.00 C ATOM 579 NE1 TRP A 37 -1.923 -1.568 6.086 1.00 0.00 N ATOM 580 CE2 TRP A 37 -2.089 -0.354 6.713 1.00 0.00 C ATOM 581 CE3 TRP A 37 -1.568 0.566 8.883 1.00 0.00 C ATOM 582 CZ2 TRP A 37 -2.630 0.871 6.311 1.00 0.00 C ATOM 583 CZ3 TRP A 37 -2.076 1.811 8.474 1.00 0.00 C ATOM 584 CH2 TRP A 37 -2.642 1.959 7.196 1.00 0.00 C ATOM 0 H TRP A 37 -3.361 -3.347 9.178 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.850 -4.805 9.048 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.266 -2.079 10.280 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.173 -2.725 9.518 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.247 -3.551 6.711 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.128 -1.741 5.102 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.154 0.464 9.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.039 0.980 5.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.031 2.657 9.144 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.081 2.900 6.899 1.00 0.00 H new ATOM 595 N LYS A 38 -2.520 -4.550 11.814 1.00 0.00 N ATOM 596 CA LYS A 38 -2.520 -5.016 13.196 1.00 0.00 C ATOM 597 C LYS A 38 -2.041 -6.455 13.208 1.00 0.00 C ATOM 598 O LYS A 38 -2.110 -7.179 12.209 1.00 0.00 O ATOM 599 CB LYS A 38 -3.913 -4.888 13.844 1.00 0.00 C ATOM 600 CG LYS A 38 -4.341 -3.422 13.951 1.00 0.00 C ATOM 601 CD LYS A 38 -5.778 -3.307 14.469 1.00 0.00 C ATOM 602 CE LYS A 38 -6.275 -1.858 14.414 1.00 0.00 C ATOM 603 NZ LYS A 38 -5.749 -0.981 15.477 1.00 0.00 N ATOM 0 H LYS A 38 -3.439 -4.286 11.459 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.850 -4.393 13.788 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.644 -5.441 13.254 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.898 -5.339 14.836 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.665 -2.890 14.621 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.263 -2.944 12.974 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.434 -3.942 13.873 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.827 -3.672 15.495 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.006 -1.433 13.447 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.364 -1.860 14.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.138 -0.023 15.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.026 -1.357 16.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.712 -0.944 15.414 1.00 0.00 H new ATOM 617 N GLU A 39 -1.574 -6.874 14.370 1.00 0.00 N ATOM 618 CA GLU A 39 -1.077 -8.214 14.583 1.00 0.00 C ATOM 619 C GLU A 39 -2.105 -8.983 15.381 1.00 0.00 C ATOM 620 O GLU A 39 -2.875 -8.401 16.153 1.00 0.00 O ATOM 621 CB GLU A 39 0.288 -8.194 15.271 1.00 0.00 C ATOM 622 CG GLU A 39 1.340 -7.584 14.340 1.00 0.00 C ATOM 623 CD GLU A 39 1.395 -6.037 14.334 1.00 0.00 C ATOM 624 OE1 GLU A 39 0.903 -5.380 15.285 1.00 0.00 O ATOM 625 OE2 GLU A 39 1.972 -5.444 13.391 1.00 0.00 O ATOM 0 H GLU A 39 -1.530 -6.283 15.200 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.926 -8.712 13.625 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.230 -7.617 16.194 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.579 -9.207 15.547 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.320 -7.966 14.626 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.147 -7.929 13.324 1.00 0.00 H new ATOM 632 N GLY A 40 -2.104 -10.286 15.134 1.00 0.00 N ATOM 633 CA GLY A 40 -3.182 -11.175 15.558 1.00 0.00 C ATOM 634 C GLY A 40 -4.497 -10.766 14.886 1.00 0.00 C ATOM 635 O GLY A 40 -5.542 -10.662 15.532 1.00 0.00 O ATOM 0 H GLY A 40 -1.353 -10.760 14.632 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.937 -12.205 15.299 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.291 -11.136 16.642 1.00 0.00 H new ATOM 639 N TYR A 41 -4.431 -10.447 13.595 1.00 0.00 N ATOM 640 CA TYR A 41 -5.488 -9.860 12.803 1.00 0.00 C ATOM 641 C TYR A 41 -5.463 -10.533 11.435 1.00 0.00 C ATOM 642 O TYR A 41 -4.624 -10.212 10.588 1.00 0.00 O ATOM 643 CB TYR A 41 -5.252 -8.351 12.720 1.00 0.00 C ATOM 644 CG TYR A 41 -6.222 -7.546 13.550 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.062 -7.474 14.942 1.00 0.00 C ATOM 646 CD2 TYR A 41 -7.282 -6.868 12.933 1.00 0.00 C ATOM 647 CE1 TYR A 41 -6.975 -6.741 15.718 1.00 0.00 C ATOM 648 CE2 TYR A 41 -8.233 -6.184 13.701 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.096 -6.134 15.104 1.00 0.00 C ATOM 650 OH TYR A 41 -9.038 -5.493 15.848 1.00 0.00 O ATOM 0 H TYR A 41 -3.584 -10.604 13.050 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.473 -10.012 13.244 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.236 -8.131 13.047 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.327 -8.036 11.679 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.236 -7.983 15.417 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.366 -6.873 11.856 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.821 -6.641 16.782 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.068 -5.697 13.221 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.734 -5.136 15.258 1.00 0.00 H new ATOM 660 N GLU A 42 -6.355 -11.495 11.226 1.00 0.00 N ATOM 661 CA GLU A 42 -6.508 -12.201 9.968 1.00 0.00 C ATOM 662 C GLU A 42 -7.446 -11.392 9.060 1.00 0.00 C ATOM 663 O GLU A 42 -8.574 -11.807 8.792 1.00 0.00 O ATOM 664 CB GLU A 42 -6.992 -13.640 10.256 1.00 0.00 C ATOM 665 CG GLU A 42 -6.934 -14.494 8.991 1.00 0.00 C ATOM 666 CD GLU A 42 -7.214 -15.973 9.265 1.00 0.00 C ATOM 667 OE1 GLU A 42 -8.380 -16.366 9.498 1.00 0.00 O ATOM 668 OE2 GLU A 42 -6.273 -16.782 9.107 1.00 0.00 O ATOM 0 H GLU A 42 -7.005 -11.810 11.946 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.563 -12.296 9.434 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.372 -14.089 11.032 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.013 -13.616 10.638 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.660 -14.118 8.270 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.950 -14.393 8.534 1.00 0.00 H new ATOM 675 N ILE A 43 -7.008 -10.223 8.588 1.00 0.00 N ATOM 676 CA ILE A 43 -7.794 -9.437 7.638 1.00 0.00 C ATOM 677 C ILE A 43 -7.561 -10.017 6.247 1.00 0.00 C ATOM 678 O ILE A 43 -6.524 -9.769 5.633 1.00 0.00 O ATOM 679 CB ILE A 43 -7.503 -7.939 7.730 1.00 0.00 C ATOM 680 CG1 ILE A 43 -7.756 -7.417 9.151 1.00 0.00 C ATOM 681 CG2 ILE A 43 -8.377 -7.141 6.752 1.00 0.00 C ATOM 682 CD1 ILE A 43 -9.072 -7.830 9.817 1.00 0.00 C ATOM 0 H ILE A 43 -6.116 -9.802 8.848 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.854 -9.512 7.881 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.453 -7.803 7.470 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.935 -7.750 9.786 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.716 -6.328 9.124 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.147 -6.079 6.841 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.177 -7.471 5.733 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.429 -7.305 6.987 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.127 -7.396 10.815 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.910 -7.472 9.219 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.117 -8.917 9.891 1.00 0.00 H new ATOM 694 N LYS A 44 -8.503 -10.820 5.746 1.00 0.00 N ATOM 695 CA LYS A 44 -8.454 -11.404 4.414 1.00 0.00 C ATOM 696 C LYS A 44 -9.752 -11.133 3.646 1.00 0.00 C ATOM 697 O LYS A 44 -10.066 -11.840 2.684 1.00 0.00 O ATOM 698 CB LYS A 44 -8.062 -12.889 4.520 1.00 0.00 C ATOM 699 CG LYS A 44 -6.684 -13.130 5.177 1.00 0.00 C ATOM 700 CD LYS A 44 -5.493 -12.596 4.353 1.00 0.00 C ATOM 701 CE LYS A 44 -4.310 -12.160 5.224 1.00 0.00 C ATOM 702 NZ LYS A 44 -3.647 -13.301 5.887 1.00 0.00 N ATOM 0 H LYS A 44 -9.337 -11.085 6.271 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.679 -10.925 3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.824 -13.415 5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.058 -13.325 3.521 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.674 -12.658 6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.551 -14.200 5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.161 -13.370 3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.825 -11.750 3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.584 -11.630 4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.659 -11.457 5.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.854 -12.954 6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.330 -13.793 6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.289 -13.961 5.167 1.00 0.00 H new ATOM 716 N ASN A 45 -10.528 -10.123 4.062 1.00 0.00 N ATOM 717 CA ASN A 45 -11.696 -9.685 3.305 1.00 0.00 C ATOM 718 C ASN A 45 -11.255 -9.094 1.963 1.00 0.00 C ATOM 719 O ASN A 45 -10.232 -8.435 1.825 1.00 0.00 O ATOM 720 CB ASN A 45 -12.580 -8.694 4.086 1.00 0.00 C ATOM 721 CG ASN A 45 -13.325 -7.755 3.152 1.00 0.00 C ATOM 722 OD1 ASN A 45 -12.842 -6.667 2.910 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.382 -8.204 2.487 1.00 0.00 N ATOM 0 H ASN A 45 -10.363 -9.597 4.920 1.00 0.00 H new ATOM 0 HA ASN A 45 -12.316 -10.563 3.125 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -13.296 -9.246 4.695 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -11.961 -8.113 4.769 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.805 -7.632 1.756 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -14.771 -9.121 2.707 1.00 0.00 H new ATOM 730 N ARG A 46 -12.116 -9.313 0.980 1.00 0.00 N ATOM 731 CA ARG A 46 -11.984 -8.928 -0.416 1.00 0.00 C ATOM 732 C ARG A 46 -11.793 -7.429 -0.548 1.00 0.00 C ATOM 733 O ARG A 46 -10.904 -6.976 -1.260 1.00 0.00 O ATOM 734 CB ARG A 46 -13.253 -9.329 -1.187 1.00 0.00 C ATOM 735 CG ARG A 46 -13.747 -10.735 -0.848 1.00 0.00 C ATOM 736 CD ARG A 46 -15.105 -10.982 -1.490 1.00 0.00 C ATOM 737 NE ARG A 46 -15.272 -12.422 -1.701 1.00 0.00 N ATOM 738 CZ ARG A 46 -16.355 -13.061 -2.131 1.00 0.00 C ATOM 739 NH1 ARG A 46 -17.507 -12.431 -2.326 1.00 0.00 N ATOM 740 NH2 ARG A 46 -16.260 -14.364 -2.355 1.00 0.00 N ATOM 0 H ARG A 46 -12.994 -9.803 1.152 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.113 -9.438 -0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.044 -8.611 -0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.054 -9.269 -2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.029 -11.476 -1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.821 -10.852 0.233 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.900 -10.600 -0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.176 -10.451 -2.439 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.460 -13.004 -1.493 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.578 -11.430 -2.145 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.322 -12.948 -2.657 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.375 -14.845 -2.197 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.072 -14.885 -2.686 1.00 0.00 H new ATOM 754 N GLU A 47 -12.656 -6.667 0.113 1.00 0.00 N ATOM 755 CA GLU A 47 -12.764 -5.229 -0.009 1.00 0.00 C ATOM 756 C GLU A 47 -11.524 -4.524 0.532 1.00 0.00 C ATOM 757 O GLU A 47 -11.163 -3.479 0.001 1.00 0.00 O ATOM 758 CB GLU A 47 -14.037 -4.764 0.703 1.00 0.00 C ATOM 759 CG GLU A 47 -15.264 -4.906 -0.182 1.00 0.00 C ATOM 760 CD GLU A 47 -16.476 -4.454 0.621 1.00 0.00 C ATOM 761 OE1 GLU A 47 -16.984 -5.270 1.430 1.00 0.00 O ATOM 762 OE2 GLU A 47 -16.906 -3.296 0.466 1.00 0.00 O ATOM 0 H GLU A 47 -13.326 -7.057 0.776 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.829 -4.963 -1.064 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.177 -5.346 1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.925 -3.722 1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.156 -4.302 -1.083 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.384 -5.940 -0.504 1.00 0.00 H new ATOM 769 N THR A 48 -10.821 -5.090 1.510 1.00 0.00 N ATOM 770 CA THR A 48 -9.540 -4.566 1.964 1.00 0.00 C ATOM 771 C THR A 48 -8.493 -4.712 0.849 1.00 0.00 C ATOM 772 O THR A 48 -7.737 -3.781 0.568 1.00 0.00 O ATOM 773 CB THR A 48 -9.125 -5.262 3.276 1.00 0.00 C ATOM 774 OG1 THR A 48 -10.278 -5.623 4.018 1.00 0.00 O ATOM 775 CG2 THR A 48 -8.241 -4.335 4.104 1.00 0.00 C ATOM 0 H THR A 48 -11.126 -5.926 2.009 1.00 0.00 H new ATOM 0 HA THR A 48 -9.624 -3.502 2.183 1.00 0.00 H new ATOM 0 HB THR A 48 -8.562 -6.163 3.035 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.231 -5.222 4.911 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.954 -4.836 5.028 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.346 -4.082 3.535 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.791 -3.424 4.341 1.00 0.00 H new ATOM 783 N GLY A 49 -8.509 -5.847 0.144 1.00 0.00 N ATOM 784 CA GLY A 49 -7.733 -6.053 -1.071 1.00 0.00 C ATOM 785 C GLY A 49 -8.139 -5.074 -2.175 1.00 0.00 C ATOM 786 O GLY A 49 -7.268 -4.553 -2.873 1.00 0.00 O ATOM 0 H GLY A 49 -9.071 -6.656 0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.672 -5.933 -0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.872 -7.075 -1.422 1.00 0.00 H new ATOM 790 N CYS A 50 -9.439 -4.797 -2.336 1.00 0.00 N ATOM 791 CA CYS A 50 -9.923 -3.792 -3.270 1.00 0.00 C ATOM 792 C CYS A 50 -9.373 -2.415 -2.899 1.00 0.00 C ATOM 793 O CYS A 50 -8.929 -1.687 -3.782 1.00 0.00 O ATOM 794 CB CYS A 50 -11.454 -3.717 -3.301 1.00 0.00 C ATOM 795 SG CYS A 50 -12.429 -5.165 -3.787 1.00 0.00 S ATOM 0 H CYS A 50 -10.180 -5.268 -1.818 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.573 -4.088 -4.259 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.783 -3.426 -2.304 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.724 -2.905 -3.976 1.00 0.00 H new ATOM 800 N ALA A 51 -9.393 -2.054 -1.612 1.00 0.00 N ATOM 801 CA ALA A 51 -8.881 -0.782 -1.135 1.00 0.00 C ATOM 802 C ALA A 51 -7.417 -0.655 -1.515 1.00 0.00 C ATOM 803 O ALA A 51 -7.058 0.358 -2.095 1.00 0.00 O ATOM 804 CB ALA A 51 -9.089 -0.623 0.375 1.00 0.00 C ATOM 0 H ALA A 51 -9.770 -2.647 -0.872 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.439 0.025 -1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.694 0.340 0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.154 -0.673 0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.568 -1.423 0.900 1.00 0.00 H new ATOM 810 N ILE A 52 -6.581 -1.664 -1.248 1.00 0.00 N ATOM 811 CA ILE A 52 -5.181 -1.661 -1.650 1.00 0.00 C ATOM 812 C ILE A 52 -5.086 -1.428 -3.159 1.00 0.00 C ATOM 813 O ILE A 52 -4.422 -0.487 -3.578 1.00 0.00 O ATOM 814 CB ILE A 52 -4.496 -2.952 -1.145 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.417 -2.854 0.393 1.00 0.00 C ATOM 816 CG2 ILE A 52 -3.081 -3.108 -1.739 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.023 -4.122 1.154 1.00 0.00 C ATOM 0 H ILE A 52 -6.863 -2.506 -0.745 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.633 -0.839 -1.189 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.071 -3.824 -1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.701 -2.072 0.646 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.389 -2.527 0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.628 -4.025 -1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.146 -3.154 -2.826 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.468 -2.255 -1.448 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.006 -3.914 2.224 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.748 -4.909 0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.034 -4.447 0.832 1.00 0.00 H new ATOM 829 N MET A 53 -5.783 -2.222 -3.970 1.00 0.00 N ATOM 830 CA MET A 53 -5.776 -2.102 -5.424 1.00 0.00 C ATOM 831 C MET A 53 -6.138 -0.676 -5.882 1.00 0.00 C ATOM 832 O MET A 53 -5.356 -0.045 -6.584 1.00 0.00 O ATOM 833 CB MET A 53 -6.696 -3.193 -5.984 1.00 0.00 C ATOM 834 CG MET A 53 -6.804 -3.193 -7.506 1.00 0.00 C ATOM 835 SD MET A 53 -8.354 -2.483 -8.125 1.00 0.00 S ATOM 836 CE MET A 53 -9.547 -3.700 -7.505 1.00 0.00 C ATOM 0 H MET A 53 -6.377 -2.978 -3.629 1.00 0.00 H new ATOM 0 HA MET A 53 -4.774 -2.259 -5.823 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.330 -4.166 -5.656 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.692 -3.067 -5.559 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.966 -2.633 -7.921 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.713 -4.217 -7.868 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.425 -3.711 -8.151 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.088 -4.689 -7.500 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.846 -3.433 -6.491 1.00 0.00 H new ATOM 846 N CYS A 54 -7.252 -0.098 -5.427 1.00 0.00 N ATOM 847 CA CYS A 54 -7.629 1.266 -5.797 1.00 0.00 C ATOM 848 C CYS A 54 -6.634 2.291 -5.248 1.00 0.00 C ATOM 849 O CYS A 54 -6.333 3.299 -5.884 1.00 0.00 O ATOM 850 CB CYS A 54 -9.050 1.542 -5.303 1.00 0.00 C ATOM 851 SG CYS A 54 -9.629 3.253 -5.474 1.00 0.00 S ATOM 0 H CYS A 54 -7.911 -0.557 -4.798 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.604 1.362 -6.883 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.736 0.891 -5.845 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.109 1.262 -4.251 1.00 0.00 H new ATOM 856 N LEU A 55 -6.085 2.058 -4.061 1.00 0.00 N ATOM 857 CA LEU A 55 -5.083 2.952 -3.501 1.00 0.00 C ATOM 858 C LEU A 55 -3.786 2.913 -4.291 1.00 0.00 C ATOM 859 O LEU A 55 -3.038 3.892 -4.264 1.00 0.00 O ATOM 860 CB LEU A 55 -4.834 2.620 -2.026 1.00 0.00 C ATOM 861 CG LEU A 55 -5.985 3.098 -1.124 1.00 0.00 C ATOM 862 CD1 LEU A 55 -5.807 2.529 0.287 1.00 0.00 C ATOM 863 CD2 LEU A 55 -6.032 4.627 -1.109 1.00 0.00 C ATOM 0 H LEU A 55 -6.317 1.259 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.471 3.968 -3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.709 1.543 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.903 3.085 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.935 2.736 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.624 2.870 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.811 1.440 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.859 2.872 0.701 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.849 4.960 -0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.089 5.016 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.192 4.996 -2.122 1.00 0.00 H new ATOM 875 N SER A 56 -3.559 1.841 -5.050 1.00 0.00 N ATOM 876 CA SER A 56 -2.410 1.703 -5.920 1.00 0.00 C ATOM 877 C SER A 56 -2.394 2.813 -6.985 1.00 0.00 C ATOM 878 O SER A 56 -1.332 3.241 -7.426 1.00 0.00 O ATOM 879 CB SER A 56 -2.294 0.267 -6.432 1.00 0.00 C ATOM 880 OG SER A 56 -2.457 -0.693 -5.396 1.00 0.00 O ATOM 0 H SER A 56 -4.184 1.035 -5.072 1.00 0.00 H new ATOM 0 HA SER A 56 -1.486 1.863 -5.363 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.046 0.097 -7.203 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.320 0.129 -6.901 1.00 0.00 H new ATOM 0 HG SER A 56 -3.354 -0.609 -5.011 1.00 0.00 H new ATOM 886 N THR A 57 -3.545 3.432 -7.278 1.00 0.00 N ATOM 887 CA THR A 57 -3.674 4.418 -8.350 1.00 0.00 C ATOM 888 C THR A 57 -3.939 5.822 -7.775 1.00 0.00 C ATOM 889 O THR A 57 -4.273 6.767 -8.495 1.00 0.00 O ATOM 890 CB THR A 57 -4.663 3.846 -9.399 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.940 4.733 -10.459 1.00 0.00 O ATOM 892 CG2 THR A 57 -6.008 3.385 -8.830 1.00 0.00 C ATOM 0 H THR A 57 -4.415 3.260 -6.774 1.00 0.00 H new ATOM 0 HA THR A 57 -2.749 4.587 -8.901 1.00 0.00 H new ATOM 0 HB THR A 57 -4.118 2.977 -9.768 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.797 5.655 -10.160 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.632 3.001 -9.637 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.841 2.598 -8.094 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.509 4.227 -8.353 1.00 0.00 H new ATOM 900 N LYS A 58 -3.719 6.007 -6.470 1.00 0.00 N ATOM 901 CA LYS A 58 -4.101 7.200 -5.703 1.00 0.00 C ATOM 902 C LYS A 58 -2.899 7.853 -5.026 1.00 0.00 C ATOM 903 O LYS A 58 -3.085 8.576 -4.051 1.00 0.00 O ATOM 904 CB LYS A 58 -5.191 6.816 -4.684 1.00 0.00 C ATOM 905 CG LYS A 58 -6.548 6.533 -5.341 1.00 0.00 C ATOM 906 CD LYS A 58 -7.512 7.704 -5.219 1.00 0.00 C ATOM 907 CE LYS A 58 -8.826 7.362 -5.927 1.00 0.00 C ATOM 908 NZ LYS A 58 -8.840 7.741 -7.356 1.00 0.00 N ATOM 0 H LYS A 58 -3.253 5.305 -5.896 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.502 7.946 -6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.870 5.934 -4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.305 7.622 -3.960 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.396 6.301 -6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.993 5.651 -4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.700 7.926 -4.168 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.072 8.598 -5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.008 6.291 -5.841 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.647 7.867 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.482 7.109 -7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.168 8.723 -7.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.880 7.658 -7.747 1.00 0.00 H new ATOM 922 N LEU A 59 -1.677 7.636 -5.510 1.00 0.00 N ATOM 923 CA LEU A 59 -0.461 8.160 -4.885 1.00 0.00 C ATOM 924 C LEU A 59 -0.536 9.684 -4.689 1.00 0.00 C ATOM 925 O LEU A 59 -0.080 10.176 -3.661 1.00 0.00 O ATOM 926 CB LEU A 59 0.795 7.742 -5.679 1.00 0.00 C ATOM 927 CG LEU A 59 0.842 6.298 -6.232 1.00 0.00 C ATOM 928 CD1 LEU A 59 2.075 6.104 -7.117 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.834 5.229 -5.133 1.00 0.00 C ATOM 0 H LEU A 59 -1.500 7.088 -6.352 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.381 7.718 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.906 8.428 -6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.663 7.884 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.068 6.169 -6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.093 5.083 -7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.036 6.802 -7.953 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.976 6.288 -6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.868 4.239 -5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.703 5.363 -4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.075 5.324 -4.540 1.00 0.00 H new ATOM 941 N ASN A 60 -1.211 10.425 -5.581 1.00 0.00 N ATOM 942 CA ASN A 60 -1.403 11.878 -5.476 1.00 0.00 C ATOM 943 C ASN A 60 -2.231 12.291 -4.258 1.00 0.00 C ATOM 944 O ASN A 60 -2.130 13.424 -3.786 1.00 0.00 O ATOM 945 CB ASN A 60 -2.088 12.436 -6.739 1.00 0.00 C ATOM 946 CG ASN A 60 -3.605 12.248 -6.758 1.00 0.00 C ATOM 947 OD1 ASN A 60 -4.119 11.197 -7.151 1.00 0.00 O ATOM 948 ND2 ASN A 60 -4.353 13.249 -6.321 1.00 0.00 N ATOM 0 H ASN A 60 -1.647 10.023 -6.411 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.402 12.296 -5.365 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.863 13.499 -6.822 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.661 11.950 -7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.369 13.158 -6.306 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.914 14.111 -5.999 1.00 0.00 H new ATOM 955 N MET A 61 -3.092 11.399 -3.771 1.00 0.00 N ATOM 956 CA MET A 61 -3.906 11.628 -2.589 1.00 0.00 C ATOM 957 C MET A 61 -3.092 11.383 -1.324 1.00 0.00 C ATOM 958 O MET A 61 -3.477 11.869 -0.264 1.00 0.00 O ATOM 959 CB MET A 61 -5.095 10.664 -2.575 1.00 0.00 C ATOM 960 CG MET A 61 -6.036 10.811 -3.770 1.00 0.00 C ATOM 961 SD MET A 61 -6.897 12.398 -3.909 1.00 0.00 S ATOM 962 CE MET A 61 -7.522 12.652 -2.225 1.00 0.00 C ATOM 0 H MET A 61 -3.242 10.484 -4.197 1.00 0.00 H new ATOM 0 HA MET A 61 -4.252 12.661 -2.617 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.719 9.641 -2.547 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.664 10.820 -1.658 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.461 10.650 -4.682 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.782 10.018 -3.720 1.00 0.00 H new ATOM 0 HE1 MET A 61 -8.447 13.228 -2.263 1.00 0.00 H new ATOM 0 HE2 MET A 61 -7.715 11.686 -1.759 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.780 13.195 -1.640 1.00 0.00 H new ATOM 972 N LEU A 62 -2.024 10.586 -1.408 1.00 0.00 N ATOM 973 CA LEU A 62 -1.193 10.194 -0.292 1.00 0.00 C ATOM 974 C LEU A 62 -0.104 11.235 -0.099 1.00 0.00 C ATOM 975 O LEU A 62 -0.042 11.860 0.962 1.00 0.00 O ATOM 976 CB LEU A 62 -0.644 8.788 -0.592 1.00 0.00 C ATOM 977 CG LEU A 62 -1.759 7.773 -0.875 1.00 0.00 C ATOM 978 CD1 LEU A 62 -1.173 6.467 -1.372 1.00 0.00 C ATOM 979 CD2 LEU A 62 -2.648 7.529 0.343 1.00 0.00 C ATOM 0 H LEU A 62 -1.712 10.187 -2.293 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.749 10.146 0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.025 8.838 -1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.050 8.444 0.255 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.391 8.201 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.978 5.758 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.615 6.645 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.504 6.057 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.421 6.803 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.043 7.144 1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.115 8.466 0.646 1.00 0.00 H new ATOM 991 N ASP A 63 0.727 11.425 -1.122 1.00 0.00 N ATOM 992 CA ASP A 63 1.894 12.300 -1.068 1.00 0.00 C ATOM 993 C ASP A 63 1.511 13.711 -1.548 1.00 0.00 C ATOM 994 O ASP A 63 1.088 13.857 -2.700 1.00 0.00 O ATOM 995 CB ASP A 63 3.034 11.720 -1.910 1.00 0.00 C ATOM 996 CG ASP A 63 4.294 12.560 -1.712 1.00 0.00 C ATOM 997 OD1 ASP A 63 4.370 13.666 -2.280 1.00 0.00 O ATOM 998 OD2 ASP A 63 5.198 12.126 -0.971 1.00 0.00 O ATOM 0 H ASP A 63 0.606 10.968 -2.026 1.00 0.00 H new ATOM 0 HA ASP A 63 2.242 12.370 -0.038 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.224 10.686 -1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.753 11.710 -2.963 1.00 0.00 H new ATOM 1003 N PRO A 64 1.600 14.755 -0.701 1.00 0.00 N ATOM 1004 CA PRO A 64 1.150 16.102 -1.050 1.00 0.00 C ATOM 1005 C PRO A 64 2.029 16.785 -2.102 1.00 0.00 C ATOM 1006 O PRO A 64 1.543 17.624 -2.868 1.00 0.00 O ATOM 1007 CB PRO A 64 1.194 16.892 0.260 1.00 0.00 C ATOM 1008 CG PRO A 64 2.240 16.171 1.105 1.00 0.00 C ATOM 1009 CD PRO A 64 2.105 14.718 0.664 1.00 0.00 C ATOM 0 HA PRO A 64 0.156 16.057 -1.495 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.471 17.932 0.087 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.222 16.899 0.752 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.243 16.556 0.919 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.046 16.288 2.171 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.066 14.206 0.710 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.423 14.174 1.317 1.00 0.00 H new ATOM 1017 N GLU A 65 3.318 16.462 -2.112 1.00 0.00 N ATOM 1018 CA GLU A 65 4.329 16.974 -3.028 1.00 0.00 C ATOM 1019 C GLU A 65 4.313 16.193 -4.352 1.00 0.00 C ATOM 1020 O GLU A 65 5.042 16.513 -5.291 1.00 0.00 O ATOM 1021 CB GLU A 65 5.700 16.909 -2.336 1.00 0.00 C ATOM 1022 CG GLU A 65 5.709 17.741 -1.041 1.00 0.00 C ATOM 1023 CD GLU A 65 7.087 17.818 -0.383 1.00 0.00 C ATOM 1024 OE1 GLU A 65 7.639 16.762 -0.007 1.00 0.00 O ATOM 1025 OE2 GLU A 65 7.601 18.952 -0.207 1.00 0.00 O ATOM 0 H GLU A 65 3.706 15.798 -1.442 1.00 0.00 H new ATOM 0 HA GLU A 65 4.113 18.013 -3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.946 15.872 -2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.470 17.277 -3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.363 18.750 -1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.000 17.309 -0.335 1.00 0.00 H new ATOM 1032 N GLY A 66 3.486 15.150 -4.430 1.00 0.00 N ATOM 1033 CA GLY A 66 3.325 14.273 -5.562 1.00 0.00 C ATOM 1034 C GLY A 66 4.529 13.380 -5.818 1.00 0.00 C ATOM 1035 O GLY A 66 4.590 12.827 -6.910 1.00 0.00 O ATOM 0 H GLY A 66 2.880 14.890 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.447 13.647 -5.404 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.133 14.873 -6.451 1.00 0.00 H new ATOM 1039 N ASN A 67 5.464 13.246 -4.873 1.00 0.00 N ATOM 1040 CA ASN A 67 6.741 12.556 -5.080 1.00 0.00 C ATOM 1041 C ASN A 67 6.549 11.080 -5.393 1.00 0.00 C ATOM 1042 O ASN A 67 7.362 10.465 -6.079 1.00 0.00 O ATOM 1043 CB ASN A 67 7.633 12.679 -3.826 1.00 0.00 C ATOM 1044 CG ASN A 67 8.666 13.779 -4.001 1.00 0.00 C ATOM 1045 OD1 ASN A 67 9.739 13.569 -4.559 1.00 0.00 O ATOM 1046 ND2 ASN A 67 8.351 14.987 -3.571 1.00 0.00 N ATOM 0 H ASN A 67 5.354 13.619 -3.930 1.00 0.00 H new ATOM 0 HA ASN A 67 7.220 13.036 -5.934 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.014 12.891 -2.954 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.135 11.730 -3.637 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.003 15.761 -3.701 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.456 15.147 -3.109 1.00 0.00 H new ATOM 1053 N LEU A 68 5.517 10.469 -4.821 1.00 0.00 N ATOM 1054 CA LEU A 68 5.295 9.042 -4.937 1.00 0.00 C ATOM 1055 C LEU A 68 4.668 8.737 -6.298 1.00 0.00 C ATOM 1056 O LEU A 68 3.584 9.244 -6.607 1.00 0.00 O ATOM 1057 CB LEU A 68 4.441 8.600 -3.749 1.00 0.00 C ATOM 1058 CG LEU A 68 4.231 7.082 -3.656 1.00 0.00 C ATOM 1059 CD1 LEU A 68 5.523 6.264 -3.747 1.00 0.00 C ATOM 1060 CD2 LEU A 68 3.532 6.813 -2.325 1.00 0.00 C ATOM 0 H LEU A 68 4.813 10.954 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 68 6.226 8.476 -4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.911 8.948 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.468 9.087 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 68 3.636 6.765 -4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.287 5.202 -3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.012 6.462 -4.701 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.190 6.545 -2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.361 5.742 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.159 7.167 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.577 7.337 -2.303 1.00 0.00 H new ATOM 1072 N HIS A 69 5.353 7.930 -7.110 1.00 0.00 N ATOM 1073 CA HIS A 69 4.991 7.629 -8.489 1.00 0.00 C ATOM 1074 C HIS A 69 5.098 6.138 -8.777 1.00 0.00 C ATOM 1075 O HIS A 69 5.818 5.410 -8.096 1.00 0.00 O ATOM 1076 CB HIS A 69 5.950 8.344 -9.430 1.00 0.00 C ATOM 1077 CG HIS A 69 5.825 9.839 -9.447 1.00 0.00 C ATOM 1078 ND1 HIS A 69 4.735 10.521 -9.920 1.00 0.00 N ATOM 1079 CD2 HIS A 69 6.797 10.750 -9.130 1.00 0.00 C ATOM 1080 CE1 HIS A 69 5.044 11.823 -9.895 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.299 12.021 -9.451 1.00 0.00 N ATOM 0 H HIS A 69 6.204 7.453 -6.812 1.00 0.00 H new ATOM 0 HA HIS A 69 3.963 7.957 -8.640 1.00 0.00 H new ATOM 0 HB2 HIS A 69 6.971 8.083 -9.151 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.790 7.970 -10.441 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.768 10.530 -8.710 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.372 12.614 -10.193 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.787 12.912 -9.366 1.00 0.00 H new ATOM 1089 N HIS A 70 4.425 5.732 -9.850 1.00 0.00 N ATOM 1090 CA HIS A 70 4.313 4.347 -10.305 1.00 0.00 C ATOM 1091 C HIS A 70 5.672 3.886 -10.826 1.00 0.00 C ATOM 1092 O HIS A 70 6.202 4.518 -11.745 1.00 0.00 O ATOM 1093 CB HIS A 70 3.219 4.199 -11.378 1.00 0.00 C ATOM 1094 CG HIS A 70 3.124 2.836 -12.030 1.00 0.00 C ATOM 1095 ND1 HIS A 70 3.936 2.362 -13.039 1.00 0.00 N ATOM 1096 CD2 HIS A 70 2.184 1.872 -11.775 1.00 0.00 C ATOM 1097 CE1 HIS A 70 3.521 1.125 -13.355 1.00 0.00 C ATOM 1098 NE2 HIS A 70 2.438 0.789 -12.633 1.00 0.00 N ATOM 0 H HIS A 70 3.922 6.384 -10.451 1.00 0.00 H new ATOM 0 HA HIS A 70 4.018 3.715 -9.468 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.256 4.433 -10.924 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.394 4.943 -12.155 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.390 1.934 -11.045 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.992 0.488 -14.088 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.907 -0.079 -12.696 1.00 0.00 H new ATOM 1106 N GLY A 71 6.232 2.818 -10.251 1.00 0.00 N ATOM 1107 CA GLY A 71 7.553 2.291 -10.600 1.00 0.00 C ATOM 1108 C GLY A 71 8.688 3.304 -10.394 1.00 0.00 C ATOM 1109 O GLY A 71 9.756 3.180 -11.009 1.00 0.00 O ATOM 0 H GLY A 71 5.769 2.285 -9.515 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.753 1.405 -9.998 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.545 1.973 -11.642 1.00 0.00 H new ATOM 1113 N ASN A 72 8.458 4.350 -9.594 1.00 0.00 N ATOM 1114 CA ASN A 72 9.413 5.417 -9.336 1.00 0.00 C ATOM 1115 C ASN A 72 9.258 5.942 -7.903 1.00 0.00 C ATOM 1116 O ASN A 72 9.331 7.142 -7.650 1.00 0.00 O ATOM 1117 CB ASN A 72 9.248 6.521 -10.394 1.00 0.00 C ATOM 1118 CG ASN A 72 10.313 7.588 -10.245 1.00 0.00 C ATOM 1119 OD1 ASN A 72 11.493 7.291 -10.060 1.00 0.00 O ATOM 1120 ND2 ASN A 72 9.939 8.843 -10.305 1.00 0.00 N ATOM 0 H ASN A 72 7.576 4.475 -9.097 1.00 0.00 H new ATOM 0 HA ASN A 72 10.430 5.033 -9.417 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.305 6.084 -11.391 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.261 6.973 -10.300 1.00 0.00 H new ATOM 0 HD21 ASN A 72 10.629 9.586 -10.198 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.958 9.076 -10.459 1.00 0.00 H new ATOM 1127 N ALA A 73 9.051 5.044 -6.944 1.00 0.00 N ATOM 1128 CA ALA A 73 8.885 5.368 -5.530 1.00 0.00 C ATOM 1129 C ALA A 73 10.216 5.607 -4.793 1.00 0.00 C ATOM 1130 O ALA A 73 10.204 5.820 -3.581 1.00 0.00 O ATOM 1131 CB ALA A 73 8.108 4.230 -4.858 1.00 0.00 C ATOM 0 H ALA A 73 8.992 4.044 -7.134 1.00 0.00 H new ATOM 0 HA ALA A 73 8.337 6.309 -5.470 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.975 4.456 -3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.132 4.126 -5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.664 3.298 -4.963 1.00 0.00 H new ATOM 1137 N MET A 74 11.366 5.570 -5.474 1.00 0.00 N ATOM 1138 CA MET A 74 12.674 5.433 -4.846 1.00 0.00 C ATOM 1139 C MET A 74 13.037 6.710 -4.099 1.00 0.00 C ATOM 1140 O MET A 74 13.570 6.677 -2.997 1.00 0.00 O ATOM 1141 CB MET A 74 13.735 5.146 -5.919 1.00 0.00 C ATOM 1142 CG MET A 74 13.530 3.795 -6.605 1.00 0.00 C ATOM 1143 SD MET A 74 14.764 3.430 -7.880 1.00 0.00 S ATOM 1144 CE MET A 74 14.341 1.700 -8.210 1.00 0.00 C ATOM 0 H MET A 74 11.410 5.636 -6.491 1.00 0.00 H new ATOM 0 HA MET A 74 12.639 4.606 -4.137 1.00 0.00 H new ATOM 0 HB2 MET A 74 13.711 5.937 -6.669 1.00 0.00 H new ATOM 0 HB3 MET A 74 14.724 5.170 -5.462 1.00 0.00 H new ATOM 0 HG2 MET A 74 13.555 3.008 -5.852 1.00 0.00 H new ATOM 0 HG3 MET A 74 12.538 3.773 -7.056 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.005 1.303 -8.978 1.00 0.00 H new ATOM 0 HE2 MET A 74 14.455 1.117 -7.296 1.00 0.00 H new ATOM 0 HE3 MET A 74 13.309 1.637 -8.554 1.00 0.00 H new ATOM 1154 N GLU A 75 12.722 7.864 -4.676 1.00 0.00 N ATOM 1155 CA GLU A 75 13.031 9.148 -4.050 1.00 0.00 C ATOM 1156 C GLU A 75 12.196 9.363 -2.785 1.00 0.00 C ATOM 1157 O GLU A 75 12.731 9.857 -1.791 1.00 0.00 O ATOM 1158 CB GLU A 75 12.855 10.284 -5.064 1.00 0.00 C ATOM 1159 CG GLU A 75 14.151 10.567 -5.828 1.00 0.00 C ATOM 1160 CD GLU A 75 15.033 11.537 -5.047 1.00 0.00 C ATOM 1161 OE1 GLU A 75 15.679 11.129 -4.055 1.00 0.00 O ATOM 1162 OE2 GLU A 75 15.071 12.731 -5.421 1.00 0.00 O ATOM 0 H GLU A 75 12.252 7.939 -5.578 1.00 0.00 H new ATOM 0 HA GLU A 75 14.074 9.144 -3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.066 10.023 -5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.533 11.187 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 75 14.689 9.635 -6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 75 13.918 10.986 -6.807 1.00 0.00 H new ATOM 1169 N PHE A 76 10.924 8.954 -2.790 1.00 0.00 N ATOM 1170 CA PHE A 76 10.091 8.844 -1.603 1.00 0.00 C ATOM 1171 C PHE A 76 10.725 7.871 -0.594 1.00 0.00 C ATOM 1172 O PHE A 76 10.888 8.225 0.574 1.00 0.00 O ATOM 1173 CB PHE A 76 8.676 8.436 -2.049 1.00 0.00 C ATOM 1174 CG PHE A 76 7.796 7.854 -0.963 1.00 0.00 C ATOM 1175 CD1 PHE A 76 7.063 8.708 -0.122 1.00 0.00 C ATOM 1176 CD2 PHE A 76 7.702 6.456 -0.810 1.00 0.00 C ATOM 1177 CE1 PHE A 76 6.250 8.158 0.889 1.00 0.00 C ATOM 1178 CE2 PHE A 76 6.854 5.911 0.172 1.00 0.00 C ATOM 1179 CZ PHE A 76 6.135 6.763 1.023 1.00 0.00 C ATOM 0 H PHE A 76 10.438 8.685 -3.646 1.00 0.00 H new ATOM 0 HA PHE A 76 10.015 9.798 -1.081 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.178 9.311 -2.466 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.763 7.705 -2.853 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.122 9.779 -0.250 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.281 5.803 -1.446 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.714 8.810 1.563 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.757 4.840 0.270 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.491 6.346 1.783 1.00 0.00 H new ATOM 1189 N ALA A 77 11.138 6.674 -1.026 1.00 0.00 N ATOM 1190 CA ALA A 77 11.765 5.668 -0.170 1.00 0.00 C ATOM 1191 C ALA A 77 13.011 6.238 0.529 1.00 0.00 C ATOM 1192 O ALA A 77 13.178 6.093 1.746 1.00 0.00 O ATOM 1193 CB ALA A 77 12.074 4.409 -0.995 1.00 0.00 C ATOM 0 H ALA A 77 11.043 6.375 -1.997 1.00 0.00 H new ATOM 0 HA ALA A 77 11.073 5.384 0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.541 3.660 -0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.148 4.007 -1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.752 4.665 -1.809 1.00 0.00 H new ATOM 1199 N LYS A 78 13.845 6.983 -0.202 1.00 0.00 N ATOM 1200 CA LYS A 78 15.034 7.647 0.328 1.00 0.00 C ATOM 1201 C LYS A 78 14.706 8.685 1.393 1.00 0.00 C ATOM 1202 O LYS A 78 15.552 8.928 2.261 1.00 0.00 O ATOM 1203 CB LYS A 78 15.810 8.308 -0.812 1.00 0.00 C ATOM 1204 CG LYS A 78 16.578 7.314 -1.700 1.00 0.00 C ATOM 1205 CD LYS A 78 17.111 8.012 -2.957 1.00 0.00 C ATOM 1206 CE LYS A 78 18.103 9.126 -2.598 1.00 0.00 C ATOM 1207 NZ LYS A 78 18.227 10.120 -3.676 1.00 0.00 N ATOM 0 H LYS A 78 13.707 7.143 -1.200 1.00 0.00 H new ATOM 0 HA LYS A 78 15.642 6.878 0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.114 8.873 -1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.515 9.025 -0.391 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.406 6.882 -1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.922 6.491 -1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.599 7.281 -3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.279 8.431 -3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.777 9.621 -1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 78 19.080 8.689 -2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.784 10.931 -3.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.704 9.688 -4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.280 10.445 -3.959 1.00 0.00 H new ATOM 1221 N LYS A 79 13.516 9.298 1.391 1.00 0.00 N ATOM 1222 CA LYS A 79 13.125 10.186 2.487 1.00 0.00 C ATOM 1223 C LYS A 79 12.932 9.416 3.786 1.00 0.00 C ATOM 1224 O LYS A 79 13.023 10.028 4.850 1.00 0.00 O ATOM 1225 CB LYS A 79 11.844 10.961 2.192 1.00 0.00 C ATOM 1226 CG LYS A 79 11.985 11.902 0.988 1.00 0.00 C ATOM 1227 CD LYS A 79 10.802 12.862 1.018 1.00 0.00 C ATOM 1228 CE LYS A 79 10.772 13.841 -0.157 1.00 0.00 C ATOM 1229 NZ LYS A 79 9.503 14.598 -0.171 1.00 0.00 N ATOM 0 H LYS A 79 12.818 9.197 0.654 1.00 0.00 H new ATOM 0 HA LYS A 79 13.946 10.896 2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.033 10.257 2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.565 11.542 3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.926 12.451 1.038 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.996 11.335 0.057 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.877 12.285 1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.828 13.427 1.949 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.613 14.531 -0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.887 13.296 -1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.034 14.472 -1.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.881 14.247 0.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.699 15.608 -0.018 1.00 0.00 H new ATOM 1243 N HIS A 80 12.669 8.109 3.727 1.00 0.00 N ATOM 1244 CA HIS A 80 12.513 7.263 4.897 1.00 0.00 C ATOM 1245 C HIS A 80 13.790 6.455 5.157 1.00 0.00 C ATOM 1246 O HIS A 80 13.877 5.737 6.152 1.00 0.00 O ATOM 1247 CB HIS A 80 11.270 6.396 4.706 1.00 0.00 C ATOM 1248 CG HIS A 80 9.992 7.189 4.512 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.933 6.843 3.698 1.00 0.00 N ATOM 1250 CD2 HIS A 80 9.683 8.392 5.092 1.00 0.00 C ATOM 1251 CE1 HIS A 80 8.004 7.806 3.811 1.00 0.00 C ATOM 1252 NE2 HIS A 80 8.401 8.756 4.672 1.00 0.00 N ATOM 0 H HIS A 80 12.558 7.606 2.846 1.00 0.00 H new ATOM 0 HA HIS A 80 12.364 7.866 5.793 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.419 5.749 3.842 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.155 5.747 5.574 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.318 8.959 5.756 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.063 7.815 3.280 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.873 9.579 4.962 1.00 0.00 H new ATOM 1260 N GLY A 81 14.814 6.635 4.321 1.00 0.00 N ATOM 1261 CA GLY A 81 16.155 6.103 4.501 1.00 0.00 C ATOM 1262 C GLY A 81 16.405 4.799 3.749 1.00 0.00 C ATOM 1263 O GLY A 81 17.468 4.194 3.939 1.00 0.00 O ATOM 0 H GLY A 81 14.721 7.180 3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.879 6.847 4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.331 5.938 5.564 1.00 0.00 H new ATOM 1267 N ALA A 82 15.462 4.380 2.906 1.00 0.00 N ATOM 1268 CA ALA A 82 15.618 3.229 2.027 1.00 0.00 C ATOM 1269 C ALA A 82 16.292 3.688 0.733 1.00 0.00 C ATOM 1270 O ALA A 82 15.777 4.586 0.072 1.00 0.00 O ATOM 1271 CB ALA A 82 14.248 2.605 1.766 1.00 0.00 C ATOM 0 H ALA A 82 14.556 4.840 2.816 1.00 0.00 H new ATOM 0 HA ALA A 82 16.247 2.468 2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 82 14.360 1.743 1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.808 2.286 2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.597 3.340 1.293 1.00 0.00 H new ATOM 1277 N ASP A 83 17.464 3.143 0.403 1.00 0.00 N ATOM 1278 CA ASP A 83 18.213 3.515 -0.790 1.00 0.00 C ATOM 1279 C ASP A 83 17.681 2.739 -2.006 1.00 0.00 C ATOM 1280 O ASP A 83 16.688 2.015 -1.947 1.00 0.00 O ATOM 1281 CB ASP A 83 19.715 3.240 -0.610 1.00 0.00 C ATOM 1282 CG ASP A 83 20.071 1.863 -0.060 1.00 0.00 C ATOM 1283 OD1 ASP A 83 19.930 0.875 -0.819 1.00 0.00 O ATOM 1284 OD2 ASP A 83 20.591 1.775 1.080 1.00 0.00 O ATOM 0 H ASP A 83 17.921 2.424 0.964 1.00 0.00 H new ATOM 0 HA ASP A 83 18.080 4.584 -0.955 1.00 0.00 H new ATOM 0 HB2 ASP A 83 20.207 3.365 -1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 83 20.127 3.996 0.058 1.00 0.00 H new ATOM 1289 N GLU A 84 18.360 2.877 -3.142 1.00 0.00 N ATOM 1290 CA GLU A 84 17.922 2.425 -4.456 1.00 0.00 C ATOM 1291 C GLU A 84 17.803 0.895 -4.504 1.00 0.00 C ATOM 1292 O GLU A 84 16.951 0.340 -5.204 1.00 0.00 O ATOM 1293 CB GLU A 84 18.956 2.857 -5.503 1.00 0.00 C ATOM 1294 CG GLU A 84 19.541 4.266 -5.377 1.00 0.00 C ATOM 1295 CD GLU A 84 18.620 5.432 -5.735 1.00 0.00 C ATOM 1296 OE1 GLU A 84 17.406 5.410 -5.449 1.00 0.00 O ATOM 1297 OE2 GLU A 84 19.160 6.442 -6.255 1.00 0.00 O ATOM 0 H GLU A 84 19.274 3.329 -3.171 1.00 0.00 H new ATOM 0 HA GLU A 84 16.946 2.865 -4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 84 19.782 2.146 -5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 84 18.495 2.771 -6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.878 4.403 -4.349 1.00 0.00 H new ATOM 0 HG3 GLU A 84 20.425 4.324 -6.012 1.00 0.00 H new ATOM 1304 N THR A 85 18.706 0.193 -3.817 1.00 0.00 N ATOM 1305 CA THR A 85 18.667 -1.253 -3.673 1.00 0.00 C ATOM 1306 C THR A 85 17.589 -1.649 -2.676 1.00 0.00 C ATOM 1307 O THR A 85 16.888 -2.612 -2.959 1.00 0.00 O ATOM 1308 CB THR A 85 20.057 -1.795 -3.290 1.00 0.00 C ATOM 1309 OG1 THR A 85 20.842 -1.877 -4.467 1.00 0.00 O ATOM 1310 CG2 THR A 85 20.049 -3.176 -2.628 1.00 0.00 C ATOM 0 H THR A 85 19.496 0.626 -3.339 1.00 0.00 H new ATOM 0 HA THR A 85 18.405 -1.707 -4.629 1.00 0.00 H new ATOM 0 HB THR A 85 20.460 -1.102 -2.552 1.00 0.00 H new ATOM 0 HG1 THR A 85 21.733 -2.219 -4.243 1.00 0.00 H new ATOM 0 HG21 THR A 85 21.071 -3.474 -2.395 1.00 0.00 H new ATOM 0 HG22 THR A 85 19.464 -3.136 -1.709 1.00 0.00 H new ATOM 0 HG23 THR A 85 19.606 -3.903 -3.308 1.00 0.00 H new ATOM 1318 N MET A 86 17.412 -0.955 -1.551 1.00 0.00 N ATOM 1319 CA MET A 86 16.317 -1.235 -0.647 1.00 0.00 C ATOM 1320 C MET A 86 14.976 -1.137 -1.368 1.00 0.00 C ATOM 1321 O MET A 86 14.108 -1.975 -1.135 1.00 0.00 O ATOM 1322 CB MET A 86 16.385 -0.249 0.513 1.00 0.00 C ATOM 1323 CG MET A 86 17.578 -0.501 1.425 1.00 0.00 C ATOM 1324 SD MET A 86 17.321 0.097 3.113 1.00 0.00 S ATOM 1325 CE MET A 86 19.040 0.250 3.618 1.00 0.00 C ATOM 0 H MET A 86 18.021 -0.193 -1.251 1.00 0.00 H new ATOM 0 HA MET A 86 16.405 -2.254 -0.269 1.00 0.00 H new ATOM 0 HB2 MET A 86 16.441 0.766 0.120 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.466 -0.315 1.096 1.00 0.00 H new ATOM 0 HG2 MET A 86 17.787 -1.570 1.453 1.00 0.00 H new ATOM 0 HG3 MET A 86 18.458 -0.015 1.004 1.00 0.00 H new ATOM 0 HE1 MET A 86 19.109 0.170 4.703 1.00 0.00 H new ATOM 0 HE2 MET A 86 19.627 -0.545 3.158 1.00 0.00 H new ATOM 0 HE3 MET A 86 19.428 1.218 3.300 1.00 0.00 H new ATOM 1335 N ALA A 87 14.809 -0.166 -2.268 1.00 0.00 N ATOM 1336 CA ALA A 87 13.649 -0.123 -3.138 1.00 0.00 C ATOM 1337 C ALA A 87 13.640 -1.355 -4.038 1.00 0.00 C ATOM 1338 O ALA A 87 12.710 -2.153 -3.972 1.00 0.00 O ATOM 1339 CB ALA A 87 13.637 1.192 -3.919 1.00 0.00 C ATOM 0 H ALA A 87 15.468 0.600 -2.408 1.00 0.00 H new ATOM 0 HA ALA A 87 12.730 -0.149 -2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.764 1.220 -4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.596 2.029 -3.222 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.542 1.266 -4.521 1.00 0.00 H new ATOM 1345 N GLN A 88 14.665 -1.550 -4.874 1.00 0.00 N ATOM 1346 CA GLN A 88 14.670 -2.617 -5.878 1.00 0.00 C ATOM 1347 C GLN A 88 14.553 -4.030 -5.278 1.00 0.00 C ATOM 1348 O GLN A 88 14.119 -4.961 -5.959 1.00 0.00 O ATOM 1349 CB GLN A 88 15.926 -2.476 -6.751 1.00 0.00 C ATOM 1350 CG GLN A 88 15.944 -3.405 -7.979 1.00 0.00 C ATOM 1351 CD GLN A 88 14.667 -3.399 -8.828 1.00 0.00 C ATOM 1352 OE1 GLN A 88 14.188 -4.456 -9.243 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.120 -2.232 -9.129 1.00 0.00 N ATOM 0 H GLN A 88 15.509 -0.977 -4.874 1.00 0.00 H new ATOM 0 HA GLN A 88 13.777 -2.499 -6.491 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.007 -1.443 -7.089 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.805 -2.681 -6.140 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.784 -3.123 -8.614 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.129 -4.424 -7.640 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.533 -1.369 -8.775 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.286 -2.196 -9.715 1.00 0.00 H new ATOM 1362 N GLN A 89 14.920 -4.201 -4.010 1.00 0.00 N ATOM 1363 CA GLN A 89 14.660 -5.388 -3.220 1.00 0.00 C ATOM 1364 C GLN A 89 13.152 -5.614 -3.114 1.00 0.00 C ATOM 1365 O GLN A 89 12.704 -6.727 -3.390 1.00 0.00 O ATOM 1366 CB GLN A 89 15.284 -5.219 -1.824 1.00 0.00 C ATOM 1367 CG GLN A 89 16.802 -5.456 -1.787 1.00 0.00 C ATOM 1368 CD GLN A 89 17.147 -6.761 -1.091 1.00 0.00 C ATOM 1369 OE1 GLN A 89 17.664 -6.767 0.020 1.00 0.00 O ATOM 1370 NE2 GLN A 89 16.933 -7.892 -1.737 1.00 0.00 N ATOM 0 H GLN A 89 15.426 -3.484 -3.490 1.00 0.00 H new ATOM 0 HA GLN A 89 15.107 -6.258 -3.701 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.075 -4.212 -1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.801 -5.912 -1.135 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.193 -5.471 -2.804 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.288 -4.628 -1.271 1.00 0.00 H new ATOM 0 HE21 GLN A 89 16.502 -7.878 -2.661 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.198 -8.780 -1.312 1.00 0.00 H new ATOM 1379 N LEU A 90 12.396 -4.599 -2.683 1.00 0.00 N ATOM 1380 CA LEU A 90 10.958 -4.693 -2.465 1.00 0.00 C ATOM 1381 C LEU A 90 10.182 -4.714 -3.782 1.00 0.00 C ATOM 1382 O LEU A 90 9.204 -5.445 -3.869 1.00 0.00 O ATOM 1383 CB LEU A 90 10.474 -3.521 -1.597 1.00 0.00 C ATOM 1384 CG LEU A 90 11.095 -3.421 -0.188 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.549 -2.193 0.546 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.882 -4.642 0.719 1.00 0.00 C ATOM 0 H LEU A 90 12.777 -3.676 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 90 10.768 -5.634 -1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.678 -2.592 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.392 -3.596 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 90 12.167 -3.352 -0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.995 -2.134 1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.796 -1.293 -0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.466 -2.276 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.358 -4.466 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.814 -4.804 0.866 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.322 -5.523 0.252 1.00 0.00 H new ATOM 1398 N ILE A 91 10.604 -3.960 -4.796 1.00 0.00 N ATOM 1399 CA ILE A 91 9.974 -3.974 -6.117 1.00 0.00 C ATOM 1400 C ILE A 91 10.026 -5.395 -6.698 1.00 0.00 C ATOM 1401 O ILE A 91 9.032 -5.884 -7.233 1.00 0.00 O ATOM 1402 CB ILE A 91 10.648 -2.904 -7.003 1.00 0.00 C ATOM 1403 CG1 ILE A 91 10.164 -1.487 -6.602 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.389 -3.133 -8.500 1.00 0.00 C ATOM 1405 CD1 ILE A 91 11.281 -0.449 -6.585 1.00 0.00 C ATOM 0 H ILE A 91 11.395 -3.320 -4.725 1.00 0.00 H new ATOM 0 HA ILE A 91 8.917 -3.713 -6.059 1.00 0.00 H new ATOM 0 HB ILE A 91 11.722 -2.988 -6.837 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.389 -1.165 -7.298 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.706 -1.533 -5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.885 -2.353 -9.078 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.782 -4.107 -8.792 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.317 -3.101 -8.693 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.873 0.520 -6.296 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.046 -0.749 -5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.724 -0.375 -7.578 1.00 0.00 H new ATOM 1417 N ASP A 92 11.171 -6.080 -6.599 1.00 0.00 N ATOM 1418 CA ASP A 92 11.280 -7.448 -7.103 1.00 0.00 C ATOM 1419 C ASP A 92 10.270 -8.349 -6.432 1.00 0.00 C ATOM 1420 O ASP A 92 9.609 -9.150 -7.082 1.00 0.00 O ATOM 1421 CB ASP A 92 12.661 -8.025 -6.815 1.00 0.00 C ATOM 1422 CG ASP A 92 12.986 -9.191 -7.754 1.00 0.00 C ATOM 1423 OD1 ASP A 92 12.879 -9.030 -8.989 1.00 0.00 O ATOM 1424 OD2 ASP A 92 13.444 -10.256 -7.263 1.00 0.00 O ATOM 0 H ASP A 92 12.025 -5.712 -6.179 1.00 0.00 H new ATOM 0 HA ASP A 92 11.101 -7.405 -8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.414 -7.245 -6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.706 -8.365 -5.780 1.00 0.00 H new ATOM 1429 N ILE A 93 10.193 -8.208 -5.115 1.00 0.00 N ATOM 1430 CA ILE A 93 9.216 -8.855 -4.264 1.00 0.00 C ATOM 1431 C ILE A 93 7.773 -8.584 -4.705 1.00 0.00 C ATOM 1432 O ILE A 93 7.003 -9.541 -4.724 1.00 0.00 O ATOM 1433 CB ILE A 93 9.500 -8.492 -2.794 1.00 0.00 C ATOM 1434 CG1 ILE A 93 10.799 -9.190 -2.344 1.00 0.00 C ATOM 1435 CG2 ILE A 93 8.317 -8.877 -1.919 1.00 0.00 C ATOM 1436 CD1 ILE A 93 11.202 -8.947 -0.886 1.00 0.00 C ATOM 0 H ILE A 93 10.838 -7.614 -4.594 1.00 0.00 H new ATOM 0 HA ILE A 93 9.320 -9.936 -4.363 1.00 0.00 H new ATOM 0 HB ILE A 93 9.637 -7.415 -2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.688 -10.263 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.613 -8.858 -2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.531 -8.615 -0.883 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.428 -8.342 -2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.143 -9.950 -1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.127 -9.481 -0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.352 -7.880 -0.723 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.413 -9.307 -0.226 1.00 0.00 H new ATOM 1448 N VAL A 94 7.381 -7.347 -5.032 1.00 0.00 N ATOM 1449 CA VAL A 94 6.011 -7.049 -5.477 1.00 0.00 C ATOM 1450 C VAL A 94 5.662 -7.967 -6.642 1.00 0.00 C ATOM 1451 O VAL A 94 4.657 -8.676 -6.591 1.00 0.00 O ATOM 1452 CB VAL A 94 5.836 -5.554 -5.837 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.510 -5.206 -6.546 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.894 -4.712 -4.560 1.00 0.00 C ATOM 0 H VAL A 94 7.994 -6.533 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 94 5.317 -7.239 -4.658 1.00 0.00 H new ATOM 0 HB VAL A 94 6.647 -5.336 -6.532 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.480 -4.137 -6.757 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.440 -5.763 -7.481 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.672 -5.472 -5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.771 -3.659 -4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.095 -5.019 -3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.858 -4.858 -4.072 1.00 0.00 H new ATOM 1464 N HIS A 95 6.514 -8.016 -7.662 1.00 0.00 N ATOM 1465 CA HIS A 95 6.249 -8.808 -8.849 1.00 0.00 C ATOM 1466 C HIS A 95 6.425 -10.298 -8.532 1.00 0.00 C ATOM 1467 O HIS A 95 5.640 -11.132 -8.978 1.00 0.00 O ATOM 1468 CB HIS A 95 7.159 -8.315 -9.972 1.00 0.00 C ATOM 1469 CG HIS A 95 7.102 -6.817 -10.195 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.170 -6.008 -10.521 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.017 -5.999 -9.993 1.00 0.00 C ATOM 1472 CE1 HIS A 95 7.728 -4.739 -10.520 1.00 0.00 C ATOM 1473 NE2 HIS A 95 6.414 -4.688 -10.258 1.00 0.00 N ATOM 0 H HIS A 95 7.400 -7.510 -7.685 1.00 0.00 H new ATOM 0 HA HIS A 95 5.218 -8.689 -9.183 1.00 0.00 H new ATOM 0 HB2 HIS A 95 8.186 -8.600 -9.745 1.00 0.00 H new ATOM 0 HB3 HIS A 95 6.884 -8.821 -10.898 1.00 0.00 H new ATOM 0 HD1 HIS A 95 9.121 -6.316 -10.725 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.032 -6.315 -9.684 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.349 -3.875 -10.706 1.00 0.00 H new ATOM 1481 N GLY A 96 7.387 -10.639 -7.678 1.00 0.00 N ATOM 1482 CA GLY A 96 7.596 -11.965 -7.110 1.00 0.00 C ATOM 1483 C GLY A 96 6.421 -12.448 -6.256 1.00 0.00 C ATOM 1484 O GLY A 96 6.383 -13.623 -5.879 1.00 0.00 O ATOM 0 H GLY A 96 8.076 -9.963 -7.348 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.766 -12.677 -7.918 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.499 -11.954 -6.500 1.00 0.00 H new ATOM 1488 N CYS A 97 5.454 -11.572 -5.976 1.00 0.00 N ATOM 1489 CA CYS A 97 4.220 -11.851 -5.274 1.00 0.00 C ATOM 1490 C CYS A 97 2.997 -11.662 -6.155 1.00 0.00 C ATOM 1491 O CYS A 97 1.965 -12.245 -5.825 1.00 0.00 O ATOM 1492 CB CYS A 97 4.129 -10.991 -4.020 1.00 0.00 C ATOM 1493 SG CYS A 97 5.125 -11.638 -2.664 1.00 0.00 S ATOM 0 H CYS A 97 5.525 -10.593 -6.254 1.00 0.00 H new ATOM 0 HA CYS A 97 4.234 -12.902 -4.986 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.455 -9.978 -4.254 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.088 -10.926 -3.703 1.00 0.00 H new ATOM 1498 N GLU A 98 3.094 -10.962 -7.291 1.00 0.00 N ATOM 1499 CA GLU A 98 2.120 -11.120 -8.357 1.00 0.00 C ATOM 1500 C GLU A 98 2.104 -12.598 -8.745 1.00 0.00 C ATOM 1501 O GLU A 98 1.048 -13.227 -8.807 1.00 0.00 O ATOM 1502 CB GLU A 98 2.463 -10.314 -9.615 1.00 0.00 C ATOM 1503 CG GLU A 98 2.225 -8.819 -9.461 1.00 0.00 C ATOM 1504 CD GLU A 98 2.316 -8.143 -10.838 1.00 0.00 C ATOM 1505 OE1 GLU A 98 3.423 -8.109 -11.424 1.00 0.00 O ATOM 1506 OE2 GLU A 98 1.265 -7.750 -11.406 1.00 0.00 O ATOM 0 H GLU A 98 3.834 -10.288 -7.487 1.00 0.00 H new ATOM 0 HA GLU A 98 1.160 -10.759 -7.987 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.509 -10.483 -9.871 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.867 -10.685 -10.449 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.245 -8.639 -9.020 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.963 -8.390 -8.784 1.00 0.00 H new ATOM 1513 N LYS A 99 3.316 -13.111 -8.993 1.00 0.00 N ATOM 1514 CA LYS A 99 3.596 -14.375 -9.651 1.00 0.00 C ATOM 1515 C LYS A 99 3.189 -15.558 -8.794 1.00 0.00 C ATOM 1516 O LYS A 99 2.517 -16.468 -9.278 1.00 0.00 O ATOM 1517 CB LYS A 99 5.080 -14.429 -10.004 1.00 0.00 C ATOM 1518 CG LYS A 99 5.336 -13.501 -11.201 1.00 0.00 C ATOM 1519 CD LYS A 99 6.784 -13.039 -11.248 1.00 0.00 C ATOM 1520 CE LYS A 99 7.739 -14.157 -11.657 1.00 0.00 C ATOM 1521 NZ LYS A 99 9.138 -13.688 -11.693 1.00 0.00 N ATOM 0 H LYS A 99 4.168 -12.621 -8.721 1.00 0.00 H new ATOM 0 HA LYS A 99 3.003 -14.439 -10.564 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.683 -14.119 -9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.373 -15.450 -10.248 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.089 -14.022 -12.126 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.678 -12.634 -11.138 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.876 -12.211 -11.951 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.073 -12.658 -10.268 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.650 -14.987 -10.956 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.456 -14.537 -12.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.760 -14.473 -11.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.227 -12.912 -12.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.415 -13.348 -10.750 1.00 0.00 H new ATOM 1535 N SER A 100 3.645 -15.585 -7.540 1.00 0.00 N ATOM 1536 CA SER A 100 3.392 -16.724 -6.677 1.00 0.00 C ATOM 1537 C SER A 100 1.900 -16.852 -6.375 1.00 0.00 C ATOM 1538 O SER A 100 1.390 -17.973 -6.265 1.00 0.00 O ATOM 1539 CB SER A 100 4.228 -16.597 -5.403 1.00 0.00 C ATOM 1540 OG SER A 100 4.022 -15.370 -4.736 1.00 0.00 O ATOM 0 H SER A 100 4.186 -14.835 -7.109 1.00 0.00 H new ATOM 0 HA SER A 100 3.691 -17.640 -7.187 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.983 -17.418 -4.729 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.284 -16.696 -5.655 1.00 0.00 H new ATOM 0 HG SER A 100 4.324 -15.448 -3.807 1.00 0.00 H new ATOM 1546 N THR A 101 1.204 -15.726 -6.225 1.00 0.00 N ATOM 1547 CA THR A 101 -0.221 -15.670 -5.959 1.00 0.00 C ATOM 1548 C THR A 101 -0.961 -16.316 -7.140 1.00 0.00 C ATOM 1549 O THR A 101 -0.686 -15.962 -8.285 1.00 0.00 O ATOM 1550 CB THR A 101 -0.601 -14.201 -5.722 1.00 0.00 C ATOM 1551 OG1 THR A 101 0.142 -13.707 -4.625 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.063 -13.984 -5.359 1.00 0.00 C ATOM 0 H THR A 101 1.635 -14.804 -6.288 1.00 0.00 H new ATOM 0 HA THR A 101 -0.504 -16.227 -5.066 1.00 0.00 H new ATOM 0 HB THR A 101 -0.395 -13.692 -6.664 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.025 -13.415 -4.933 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.247 -12.920 -5.209 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.697 -14.351 -6.166 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.294 -14.525 -4.442 1.00 0.00 H new ATOM 1560 N PRO A 102 -1.883 -17.270 -6.904 1.00 0.00 N ATOM 1561 CA PRO A 102 -2.650 -17.862 -7.990 1.00 0.00 C ATOM 1562 C PRO A 102 -3.509 -16.771 -8.628 1.00 0.00 C ATOM 1563 O PRO A 102 -3.954 -15.848 -7.939 1.00 0.00 O ATOM 1564 CB PRO A 102 -3.485 -18.974 -7.354 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.680 -18.486 -5.921 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.374 -17.749 -5.620 1.00 0.00 C ATOM 0 HA PRO A 102 -2.031 -18.281 -8.783 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.437 -19.107 -7.868 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -2.969 -19.934 -7.386 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.543 -17.826 -5.835 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.842 -19.315 -5.232 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.542 -16.920 -4.932 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.650 -18.413 -5.148 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.731 -16.868 -9.937 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.351 -15.847 -10.761 1.00 0.00 C ATOM 1576 C ALA A 103 -5.859 -15.821 -10.506 1.00 0.00 C ATOM 1577 O ALA A 103 -6.643 -16.305 -11.327 1.00 0.00 O ATOM 1578 CB ALA A 103 -4.007 -16.121 -12.232 1.00 0.00 C ATOM 0 H ALA A 103 -3.471 -17.698 -10.470 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.969 -14.859 -10.506 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.468 -15.360 -12.861 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.925 -16.095 -12.364 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.383 -17.104 -12.517 1.00 0.00 H new ATOM 1584 N ASN A 104 -6.267 -15.321 -9.340 1.00 0.00 N ATOM 1585 CA ASN A 104 -7.662 -15.268 -8.934 1.00 0.00 C ATOM 1586 C ASN A 104 -8.431 -14.428 -9.937 1.00 0.00 C ATOM 1587 O ASN A 104 -7.947 -13.378 -10.363 1.00 0.00 O ATOM 1588 CB ASN A 104 -7.815 -14.682 -7.523 1.00 0.00 C ATOM 1589 CG ASN A 104 -9.129 -15.046 -6.884 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -10.205 -14.664 -7.323 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -9.069 -15.784 -5.803 1.00 0.00 N ATOM 0 H ASN A 104 -5.626 -14.938 -8.645 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.061 -16.282 -8.910 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.999 -15.039 -6.895 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -7.728 -13.597 -7.573 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.926 -16.047 -5.317 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -8.165 -16.096 -5.448 1.00 0.00 H new ATOM 1598 N ASP A 105 -9.638 -14.868 -10.266 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.586 -14.148 -11.091 1.00 0.00 C ATOM 1600 C ASP A 105 -10.901 -12.761 -10.524 1.00 0.00 C ATOM 1601 O ASP A 105 -11.292 -11.858 -11.265 1.00 0.00 O ATOM 1602 CB ASP A 105 -11.860 -14.985 -11.154 1.00 0.00 C ATOM 1603 CG ASP A 105 -12.927 -14.331 -12.016 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -12.783 -14.345 -13.253 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -13.977 -13.941 -11.453 1.00 0.00 O ATOM 0 H ASP A 105 -9.993 -15.771 -9.951 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.160 -13.994 -12.082 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.626 -15.972 -11.553 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.248 -15.132 -10.146 1.00 0.00 H new ATOM 1610 N ASP A 106 -10.708 -12.576 -9.215 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.070 -11.354 -8.514 1.00 0.00 C ATOM 1612 C ASP A 106 -9.789 -10.573 -8.248 1.00 0.00 C ATOM 1613 O ASP A 106 -8.959 -11.012 -7.442 1.00 0.00 O ATOM 1614 CB ASP A 106 -11.777 -11.701 -7.199 1.00 0.00 C ATOM 1615 CG ASP A 106 -12.536 -10.522 -6.597 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -12.203 -9.356 -6.903 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -13.493 -10.784 -5.833 1.00 0.00 O ATOM 0 H ASP A 106 -10.290 -13.283 -8.610 1.00 0.00 H new ATOM 0 HA ASP A 106 -11.753 -10.752 -9.113 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.472 -12.522 -7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.039 -12.056 -6.479 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.581 -9.439 -8.927 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.379 -8.637 -8.771 1.00 0.00 C ATOM 1624 C LYS A 107 -8.169 -8.228 -7.328 1.00 0.00 C ATOM 1625 O LYS A 107 -7.027 -8.178 -6.888 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.441 -7.368 -9.644 1.00 0.00 C ATOM 1627 CG LYS A 107 -7.117 -7.201 -10.391 1.00 0.00 C ATOM 1628 CD LYS A 107 -7.171 -7.967 -11.718 1.00 0.00 C ATOM 1629 CE LYS A 107 -7.551 -7.009 -12.855 1.00 0.00 C ATOM 1630 NZ LYS A 107 -7.420 -7.648 -14.178 1.00 0.00 N ATOM 0 H LYS A 107 -10.247 -9.058 -9.599 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.543 -9.258 -9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.265 -7.441 -10.354 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.633 -6.494 -9.022 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.925 -6.144 -10.578 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.294 -7.572 -9.780 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.204 -8.425 -11.924 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.899 -8.776 -11.653 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.577 -6.669 -12.716 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.914 -6.125 -12.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.686 -6.969 -14.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -6.435 -7.950 -14.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.047 -8.477 -14.227 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.238 -7.948 -6.587 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.159 -7.578 -5.186 1.00 0.00 C ATOM 1646 C CYS A 108 -8.518 -8.701 -4.366 1.00 0.00 C ATOM 1647 O CYS A 108 -7.596 -8.474 -3.584 1.00 0.00 O ATOM 1648 CB CYS A 108 -10.562 -7.298 -4.656 1.00 0.00 C ATOM 1649 SG CYS A 108 -11.444 -5.908 -5.395 1.00 0.00 S ATOM 0 H CYS A 108 -10.191 -7.973 -6.951 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.542 -6.684 -5.094 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.164 -8.196 -4.795 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -10.492 -7.125 -3.582 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.026 -9.922 -4.520 1.00 0.00 N ATOM 1655 CA ILE A 109 -8.621 -11.089 -3.748 1.00 0.00 C ATOM 1656 C ILE A 109 -7.232 -11.542 -4.185 1.00 0.00 C ATOM 1657 O ILE A 109 -6.421 -11.913 -3.330 1.00 0.00 O ATOM 1658 CB ILE A 109 -9.712 -12.171 -3.909 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.042 -11.615 -3.351 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.314 -13.486 -3.230 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.223 -12.558 -3.541 1.00 0.00 C ATOM 0 H ILE A 109 -9.752 -10.130 -5.206 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.536 -10.862 -2.685 1.00 0.00 H new ATOM 0 HB ILE A 109 -9.835 -12.406 -4.966 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.922 -11.406 -2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -11.263 -10.666 -3.839 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.108 -14.221 -3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.392 -13.861 -3.675 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.158 -13.313 -2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.122 -12.103 -3.126 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.370 -12.748 -4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -12.023 -13.499 -3.029 1.00 0.00 H new ATOM 1673 N TRP A 110 -6.941 -11.488 -5.485 1.00 0.00 N ATOM 1674 CA TRP A 110 -5.592 -11.604 -6.003 1.00 0.00 C ATOM 1675 C TRP A 110 -4.685 -10.599 -5.278 1.00 0.00 C ATOM 1676 O TRP A 110 -3.763 -11.027 -4.589 1.00 0.00 O ATOM 1677 CB TRP A 110 -5.595 -11.444 -7.529 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.231 -11.456 -8.122 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.467 -12.547 -8.334 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.425 -10.317 -8.510 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.219 -12.164 -8.790 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.156 -10.793 -8.945 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -3.649 -8.927 -8.527 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.165 -9.917 -9.397 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -2.643 -8.040 -8.938 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -1.406 -8.533 -9.371 1.00 0.00 C ATOM 0 H TRP A 110 -7.648 -11.361 -6.209 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.187 -12.597 -5.808 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.183 -12.248 -7.971 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.089 -10.508 -7.789 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -3.783 -13.567 -8.172 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.451 -12.806 -8.985 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -4.609 -8.538 -8.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.224 -10.300 -9.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.823 -6.975 -8.920 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.634 -7.847 -9.686 1.00 0.00 H new ATOM 1697 N THR A 111 -4.982 -9.299 -5.349 1.00 0.00 N ATOM 1698 CA THR A 111 -4.223 -8.212 -4.733 1.00 0.00 C ATOM 1699 C THR A 111 -4.001 -8.456 -3.234 1.00 0.00 C ATOM 1700 O THR A 111 -2.908 -8.174 -2.731 1.00 0.00 O ATOM 1701 CB THR A 111 -4.922 -6.865 -5.037 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.882 -6.634 -6.426 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.306 -5.638 -4.357 1.00 0.00 C ATOM 0 H THR A 111 -5.797 -8.962 -5.862 1.00 0.00 H new ATOM 0 HA THR A 111 -3.224 -8.173 -5.167 1.00 0.00 H new ATOM 0 HB THR A 111 -5.932 -6.973 -4.641 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.613 -7.122 -6.860 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.869 -4.747 -4.635 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.340 -5.766 -3.275 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.270 -5.527 -4.677 1.00 0.00 H new ATOM 1711 N LEU A 112 -4.978 -8.990 -2.491 1.00 0.00 N ATOM 1712 CA LEU A 112 -4.788 -9.317 -1.078 1.00 0.00 C ATOM 1713 C LEU A 112 -3.727 -10.396 -0.894 1.00 0.00 C ATOM 1714 O LEU A 112 -2.853 -10.268 -0.034 1.00 0.00 O ATOM 1715 CB LEU A 112 -6.107 -9.716 -0.441 1.00 0.00 C ATOM 1716 CG LEU A 112 -6.060 -9.680 1.106 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -5.197 -8.600 1.786 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -7.486 -9.373 1.519 1.00 0.00 C ATOM 0 H LEU A 112 -5.909 -9.204 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.426 -8.424 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.892 -9.046 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.375 -10.721 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.618 -10.628 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.268 -8.706 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.158 -8.717 1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.554 -7.612 1.494 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.548 -9.328 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.788 -8.414 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.148 -10.156 1.150 1.00 0.00 H new ATOM 1730 N GLY A 113 -3.783 -11.427 -1.738 1.00 0.00 N ATOM 1731 CA GLY A 113 -2.713 -12.403 -1.892 1.00 0.00 C ATOM 1732 C GLY A 113 -1.362 -11.711 -2.078 1.00 0.00 C ATOM 1733 O GLY A 113 -0.477 -11.892 -1.240 1.00 0.00 O ATOM 0 H GLY A 113 -4.586 -11.607 -2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -2.677 -13.049 -1.015 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.920 -13.042 -2.751 1.00 0.00 H new ATOM 1737 N VAL A 114 -1.224 -10.874 -3.114 1.00 0.00 N ATOM 1738 CA VAL A 114 0.010 -10.155 -3.445 1.00 0.00 C ATOM 1739 C VAL A 114 0.533 -9.399 -2.212 1.00 0.00 C ATOM 1740 O VAL A 114 1.684 -9.573 -1.819 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.201 -9.211 -4.654 1.00 0.00 C ATOM 1742 CG1 VAL A 114 1.110 -8.545 -5.085 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -0.756 -9.948 -5.879 1.00 0.00 C ATOM 0 H VAL A 114 -1.987 -10.674 -3.761 1.00 0.00 H new ATOM 0 HA VAL A 114 0.768 -10.881 -3.738 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.918 -8.464 -4.313 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.923 -7.890 -5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.510 -7.959 -4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.831 -9.311 -5.369 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -0.886 -9.243 -6.700 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.059 -10.730 -6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.718 -10.396 -5.629 1.00 0.00 H new ATOM 1753 N ALA A 115 -0.298 -8.576 -1.565 1.00 0.00 N ATOM 1754 CA ALA A 115 0.151 -7.736 -0.458 1.00 0.00 C ATOM 1755 C ALA A 115 0.491 -8.541 0.800 1.00 0.00 C ATOM 1756 O ALA A 115 1.365 -8.122 1.565 1.00 0.00 O ATOM 1757 CB ALA A 115 -0.909 -6.682 -0.130 1.00 0.00 C ATOM 0 H ALA A 115 -1.287 -8.476 -1.792 1.00 0.00 H new ATOM 0 HA ALA A 115 1.070 -7.250 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.562 -6.062 0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.082 -6.056 -1.005 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.839 -7.176 0.152 1.00 0.00 H new ATOM 1763 N THR A 116 -0.194 -9.659 1.055 1.00 0.00 N ATOM 1764 CA THR A 116 0.142 -10.529 2.180 1.00 0.00 C ATOM 1765 C THR A 116 1.476 -11.224 1.882 1.00 0.00 C ATOM 1766 O THR A 116 2.369 -11.241 2.731 1.00 0.00 O ATOM 1767 CB THR A 116 -0.992 -11.537 2.445 1.00 0.00 C ATOM 1768 OG1 THR A 116 -2.249 -10.890 2.527 1.00 0.00 O ATOM 1769 CG2 THR A 116 -0.776 -12.266 3.774 1.00 0.00 C ATOM 0 H THR A 116 -0.984 -9.981 0.496 1.00 0.00 H new ATOM 0 HA THR A 116 0.253 -9.940 3.091 1.00 0.00 H new ATOM 0 HB THR A 116 -0.981 -12.239 1.612 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.586 -10.714 1.624 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.590 -12.972 3.938 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.171 -12.805 3.744 1.00 0.00 H new ATOM 0 HG23 THR A 116 -0.755 -11.541 4.588 1.00 0.00 H new ATOM 1777 N CYS A 117 1.630 -11.741 0.658 1.00 0.00 N ATOM 1778 CA CYS A 117 2.861 -12.324 0.157 1.00 0.00 C ATOM 1779 C CYS A 117 4.010 -11.336 0.338 1.00 0.00 C ATOM 1780 O CYS A 117 5.018 -11.725 0.923 1.00 0.00 O ATOM 1781 CB CYS A 117 2.668 -12.781 -1.294 1.00 0.00 C ATOM 1782 SG CYS A 117 4.161 -13.358 -2.143 1.00 0.00 S ATOM 0 H CYS A 117 0.873 -11.762 -0.025 1.00 0.00 H new ATOM 0 HA CYS A 117 3.123 -13.214 0.729 1.00 0.00 H new ATOM 0 HB2 CYS A 117 1.932 -13.585 -1.307 1.00 0.00 H new ATOM 0 HB3 CYS A 117 2.246 -11.953 -1.863 1.00 0.00 H new ATOM 1787 N PHE A 118 3.855 -10.068 -0.076 1.00 0.00 N ATOM 1788 CA PHE A 118 4.897 -9.061 0.063 1.00 0.00 C ATOM 1789 C PHE A 118 5.399 -9.031 1.509 1.00 0.00 C ATOM 1790 O PHE A 118 6.553 -9.352 1.774 1.00 0.00 O ATOM 1791 CB PHE A 118 4.394 -7.687 -0.427 1.00 0.00 C ATOM 1792 CG PHE A 118 5.374 -6.524 -0.310 1.00 0.00 C ATOM 1793 CD1 PHE A 118 6.718 -6.732 0.025 1.00 0.00 C ATOM 1794 CD2 PHE A 118 4.957 -5.203 -0.541 1.00 0.00 C ATOM 1795 CE1 PHE A 118 7.623 -5.675 0.114 1.00 0.00 C ATOM 1796 CE2 PHE A 118 5.848 -4.126 -0.394 1.00 0.00 C ATOM 1797 CZ PHE A 118 7.186 -4.358 -0.063 1.00 0.00 C ATOM 0 H PHE A 118 3.002 -9.721 -0.515 1.00 0.00 H new ATOM 0 HA PHE A 118 5.746 -9.321 -0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 118 4.102 -7.783 -1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 118 3.494 -7.433 0.133 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.062 -7.737 0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 118 3.936 -5.012 -0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.664 -5.874 0.320 1.00 0.00 H new ATOM 0 HE2 PHE A 118 5.497 -3.115 -0.537 1.00 0.00 H new ATOM 0 HZ PHE A 118 7.872 -3.533 0.054 1.00 0.00 H new ATOM 1807 N LYS A 119 4.535 -8.677 2.457 1.00 0.00 N ATOM 1808 CA LYS A 119 4.836 -8.628 3.886 1.00 0.00 C ATOM 1809 C LYS A 119 5.632 -9.857 4.343 1.00 0.00 C ATOM 1810 O LYS A 119 6.635 -9.717 5.045 1.00 0.00 O ATOM 1811 CB LYS A 119 3.520 -8.501 4.679 1.00 0.00 C ATOM 1812 CG LYS A 119 3.748 -7.786 6.016 1.00 0.00 C ATOM 1813 CD LYS A 119 3.517 -6.266 5.984 1.00 0.00 C ATOM 1814 CE LYS A 119 3.893 -5.618 7.330 1.00 0.00 C ATOM 1815 NZ LYS A 119 5.252 -5.032 7.312 1.00 0.00 N ATOM 0 H LYS A 119 3.574 -8.407 2.245 1.00 0.00 H new ATOM 0 HA LYS A 119 5.462 -7.757 4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.788 -7.950 4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.103 -9.492 4.859 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.086 -8.224 6.763 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.770 -7.977 6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.111 -5.822 5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.471 -6.059 5.757 1.00 0.00 H new ATOM 0 HE2 LYS A 119 3.168 -4.841 7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.833 -6.366 8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.460 -4.608 8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.949 -5.777 7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.304 -4.299 6.576 1.00 0.00 H new ATOM 1829 N ALA A 120 5.205 -11.052 3.930 1.00 0.00 N ATOM 1830 CA ALA A 120 5.888 -12.289 4.273 1.00 0.00 C ATOM 1831 C ALA A 120 7.312 -12.348 3.707 1.00 0.00 C ATOM 1832 O ALA A 120 8.214 -12.775 4.424 1.00 0.00 O ATOM 1833 CB ALA A 120 5.072 -13.489 3.796 1.00 0.00 C ATOM 0 H ALA A 120 4.377 -11.183 3.349 1.00 0.00 H new ATOM 0 HA ALA A 120 5.977 -12.321 5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.592 -14.410 4.058 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.093 -13.477 4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 120 4.948 -13.438 2.714 1.00 0.00 H new ATOM 1839 N GLU A 121 7.533 -11.919 2.460 1.00 0.00 N ATOM 1840 CA GLU A 121 8.861 -11.878 1.846 1.00 0.00 C ATOM 1841 C GLU A 121 9.745 -10.816 2.504 1.00 0.00 C ATOM 1842 O GLU A 121 10.962 -10.955 2.491 1.00 0.00 O ATOM 1843 CB GLU A 121 8.816 -11.520 0.357 1.00 0.00 C ATOM 1844 CG GLU A 121 7.921 -12.354 -0.566 1.00 0.00 C ATOM 1845 CD GLU A 121 8.635 -13.320 -1.523 1.00 0.00 C ATOM 1846 OE1 GLU A 121 9.546 -12.928 -2.291 1.00 0.00 O ATOM 1847 OE2 GLU A 121 8.265 -14.520 -1.538 1.00 0.00 O ATOM 0 H GLU A 121 6.789 -11.588 1.845 1.00 0.00 H new ATOM 0 HA GLU A 121 9.262 -12.882 1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.500 -10.480 0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.834 -11.575 -0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.236 -12.932 0.054 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.314 -11.671 -1.160 1.00 0.00 H new ATOM 1854 N ILE A 122 9.196 -9.750 3.099 1.00 0.00 N ATOM 1855 CA ILE A 122 10.019 -8.845 3.904 1.00 0.00 C ATOM 1856 C ILE A 122 10.614 -9.657 5.066 1.00 0.00 C ATOM 1857 O ILE A 122 11.795 -9.541 5.370 1.00 0.00 O ATOM 1858 CB ILE A 122 9.236 -7.603 4.379 1.00 0.00 C ATOM 1859 CG1 ILE A 122 8.545 -6.877 3.212 1.00 0.00 C ATOM 1860 CG2 ILE A 122 10.164 -6.632 5.122 1.00 0.00 C ATOM 1861 CD1 ILE A 122 7.686 -5.683 3.643 1.00 0.00 C ATOM 0 H ILE A 122 8.209 -9.498 3.040 1.00 0.00 H new ATOM 0 HA ILE A 122 10.828 -8.441 3.295 1.00 0.00 H new ATOM 0 HB ILE A 122 8.461 -7.954 5.060 1.00 0.00 H new ATOM 0 HG12 ILE A 122 9.305 -6.531 2.512 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.917 -7.588 2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 122 9.594 -5.762 5.449 1.00 0.00 H new ATOM 0 HG22 ILE A 122 10.594 -7.132 5.990 1.00 0.00 H new ATOM 0 HG23 ILE A 122 10.964 -6.311 4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.233 -5.225 2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 122 6.902 -6.024 4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 122 8.311 -4.950 4.153 1.00 0.00 H new ATOM 1873 N HIS A 123 9.841 -10.584 5.635 1.00 0.00 N ATOM 1874 CA HIS A 123 10.303 -11.575 6.607 1.00 0.00 C ATOM 1875 C HIS A 123 11.136 -12.712 5.987 1.00 0.00 C ATOM 1876 O HIS A 123 11.434 -13.704 6.655 1.00 0.00 O ATOM 1877 CB HIS A 123 9.088 -12.113 7.369 1.00 0.00 C ATOM 1878 CG HIS A 123 9.269 -12.101 8.868 1.00 0.00 C ATOM 1879 ND1 HIS A 123 8.978 -13.139 9.720 1.00 0.00 N ATOM 1880 CD2 HIS A 123 9.762 -11.072 9.626 1.00 0.00 C ATOM 1881 CE1 HIS A 123 9.297 -12.753 10.963 1.00 0.00 C ATOM 1882 NE2 HIS A 123 9.794 -11.504 10.957 1.00 0.00 N ATOM 0 H HIS A 123 8.846 -10.668 5.425 1.00 0.00 H new ATOM 0 HA HIS A 123 10.988 -11.078 7.294 1.00 0.00 H new ATOM 0 HB2 HIS A 123 8.213 -11.517 7.111 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.886 -13.133 7.043 1.00 0.00 H new ATOM 0 HD2 HIS A 123 10.070 -10.103 9.262 1.00 0.00 H new ATOM 0 HE1 HIS A 123 9.172 -13.361 11.847 1.00 0.00 H new ATOM 0 HE2 HIS A 123 10.128 -10.976 11.763 1.00 0.00 H new ATOM 1890 N LYS A 124 11.509 -12.590 4.714 1.00 0.00 N ATOM 1891 CA LYS A 124 12.612 -13.318 4.085 1.00 0.00 C ATOM 1892 C LYS A 124 13.868 -12.452 3.937 1.00 0.00 C ATOM 1893 O LYS A 124 14.950 -13.019 3.799 1.00 0.00 O ATOM 1894 CB LYS A 124 12.155 -14.036 2.797 1.00 0.00 C ATOM 1895 CG LYS A 124 12.729 -13.422 1.517 1.00 0.00 C ATOM 1896 CD LYS A 124 11.985 -13.758 0.213 1.00 0.00 C ATOM 1897 CE LYS A 124 12.449 -15.064 -0.449 1.00 0.00 C ATOM 1898 NZ LYS A 124 13.790 -14.936 -1.063 1.00 0.00 N ATOM 0 H LYS A 124 11.035 -11.959 4.068 1.00 0.00 H new ATOM 0 HA LYS A 124 12.921 -14.119 4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.449 -15.084 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 124 11.066 -14.013 2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.745 -12.338 1.633 1.00 0.00 H new ATOM 0 HG3 LYS A 124 13.764 -13.747 1.415 1.00 0.00 H new ATOM 0 HD2 LYS A 124 10.918 -13.828 0.423 1.00 0.00 H new ATOM 0 HD3 LYS A 124 12.118 -12.937 -0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 124 12.467 -15.860 0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 124 11.729 -15.358 -1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 14.004 -15.793 -1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.806 -14.109 -1.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 14.504 -14.816 -0.316 1.00 0.00 H new ATOM 1912 N LEU A 125 13.774 -11.117 3.961 1.00 0.00 N ATOM 1913 CA LEU A 125 14.937 -10.250 3.776 1.00 0.00 C ATOM 1914 C LEU A 125 15.895 -10.389 4.955 1.00 0.00 C ATOM 1915 O LEU A 125 15.550 -10.901 6.028 1.00 0.00 O ATOM 1916 CB LEU A 125 14.534 -8.767 3.632 1.00 0.00 C ATOM 1917 CG LEU A 125 13.938 -8.391 2.266 1.00 0.00 C ATOM 1918 CD1 LEU A 125 13.273 -7.015 2.340 1.00 0.00 C ATOM 1919 CD2 LEU A 125 15.065 -8.336 1.231 1.00 0.00 C ATOM 0 H LEU A 125 12.898 -10.615 4.108 1.00 0.00 H new ATOM 0 HA LEU A 125 15.427 -10.566 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.808 -8.525 4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 125 15.412 -8.147 3.813 1.00 0.00 H new ATOM 0 HG LEU A 125 13.194 -9.136 1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 125 12.855 -6.760 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 125 12.476 -7.036 3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 125 14.014 -6.268 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 125 14.653 -8.070 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.798 -7.588 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.547 -9.311 1.166 1.00 0.00 H new ATOM 1931 N ASN A 126 17.104 -9.857 4.776 1.00 0.00 N ATOM 1932 CA ASN A 126 18.039 -9.650 5.875 1.00 0.00 C ATOM 1933 C ASN A 126 17.764 -8.353 6.647 1.00 0.00 C ATOM 1934 O ASN A 126 18.458 -8.073 7.621 1.00 0.00 O ATOM 1935 CB ASN A 126 19.481 -9.722 5.351 1.00 0.00 C ATOM 1936 CG ASN A 126 20.480 -9.798 6.499 1.00 0.00 C ATOM 1937 OD1 ASN A 126 20.321 -10.604 7.415 1.00 0.00 O ATOM 1938 ND2 ASN A 126 21.517 -8.986 6.475 1.00 0.00 N ATOM 0 H ASN A 126 17.459 -9.559 3.867 1.00 0.00 H new ATOM 0 HA ASN A 126 17.895 -10.452 6.598 1.00 0.00 H new ATOM 0 HB2 ASN A 126 19.594 -10.595 4.708 1.00 0.00 H new ATOM 0 HB3 ASN A 126 19.693 -8.846 4.738 1.00 0.00 H new ATOM 0 HD21 ASN A 126 22.207 -9.018 7.225 1.00 0.00 H new ATOM 0 HD22 ASN A 126 21.630 -8.325 5.706 1.00 0.00 H new ATOM 1945 N TRP A 127 16.788 -7.541 6.232 1.00 0.00 N ATOM 1946 CA TRP A 127 16.516 -6.231 6.827 1.00 0.00 C ATOM 1947 C TRP A 127 15.022 -5.911 6.819 1.00 0.00 C ATOM 1948 O TRP A 127 14.231 -6.637 6.218 1.00 0.00 O ATOM 1949 CB TRP A 127 17.294 -5.160 6.054 1.00 0.00 C ATOM 1950 CG TRP A 127 16.928 -5.028 4.603 1.00 0.00 C ATOM 1951 CD1 TRP A 127 17.256 -5.896 3.620 1.00 0.00 C ATOM 1952 CD2 TRP A 127 16.116 -3.999 3.962 1.00 0.00 C ATOM 1953 NE1 TRP A 127 16.724 -5.468 2.425 1.00 0.00 N ATOM 1954 CE2 TRP A 127 15.934 -4.353 2.594 1.00 0.00 C ATOM 1955 CE3 TRP A 127 15.513 -2.800 4.399 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 15.097 -3.623 1.738 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 14.717 -2.032 3.530 1.00 0.00 C ATOM 1958 CH2 TRP A 127 14.474 -2.463 2.217 1.00 0.00 C ATOM 0 H TRP A 127 16.158 -7.778 5.465 1.00 0.00 H new ATOM 0 HA TRP A 127 16.839 -6.246 7.868 1.00 0.00 H new ATOM 0 HB2 TRP A 127 17.138 -4.197 6.541 1.00 0.00 H new ATOM 0 HB3 TRP A 127 18.358 -5.384 6.125 1.00 0.00 H new ATOM 0 HD1 TRP A 127 17.847 -6.791 3.752 1.00 0.00 H new ATOM 0 HE1 TRP A 127 16.894 -5.920 1.527 1.00 0.00 H new ATOM 0 HE3 TRP A 127 15.665 -2.467 5.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.935 -3.951 0.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 14.289 -1.103 3.876 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.809 -1.902 1.577 1.00 0.00 H new ATOM 1969 N ALA A 128 14.656 -4.803 7.468 1.00 0.00 N ATOM 1970 CA ALA A 128 13.289 -4.308 7.592 1.00 0.00 C ATOM 1971 C ALA A 128 13.191 -2.898 6.983 1.00 0.00 C ATOM 1972 O ALA A 128 13.897 -2.003 7.459 1.00 0.00 O ATOM 1973 CB ALA A 128 12.884 -4.288 9.071 1.00 0.00 C ATOM 0 H ALA A 128 15.334 -4.204 7.939 1.00 0.00 H new ATOM 0 HA ALA A 128 12.609 -4.967 7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 128 11.863 -3.918 9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.943 -5.297 9.478 1.00 0.00 H new ATOM 0 HB3 ALA A 128 13.558 -3.634 9.624 1.00 0.00 H new ATOM 1979 N PRO A 129 12.370 -2.666 5.943 1.00 0.00 N ATOM 1980 CA PRO A 129 11.906 -1.338 5.541 1.00 0.00 C ATOM 1981 C PRO A 129 11.045 -0.699 6.634 1.00 0.00 C ATOM 1982 O PRO A 129 10.415 -1.403 7.432 1.00 0.00 O ATOM 1983 CB PRO A 129 11.050 -1.545 4.283 1.00 0.00 C ATOM 1984 CG PRO A 129 11.266 -3.001 3.879 1.00 0.00 C ATOM 1985 CD PRO A 129 11.711 -3.686 5.159 1.00 0.00 C ATOM 0 HA PRO A 129 12.754 -0.677 5.362 1.00 0.00 H new ATOM 0 HB2 PRO A 129 9.998 -1.346 4.487 1.00 0.00 H new ATOM 0 HB3 PRO A 129 11.354 -0.867 3.485 1.00 0.00 H new ATOM 0 HG2 PRO A 129 10.350 -3.445 3.488 1.00 0.00 H new ATOM 0 HG3 PRO A 129 12.021 -3.089 3.098 1.00 0.00 H new ATOM 0 HD2 PRO A 129 10.859 -4.102 5.696 1.00 0.00 H new ATOM 0 HD3 PRO A 129 12.388 -4.513 4.945 1.00 0.00 H new ATOM 1993 N SER A 130 10.914 0.628 6.592 1.00 0.00 N ATOM 1994 CA SER A 130 9.826 1.311 7.271 1.00 0.00 C ATOM 1995 C SER A 130 8.510 0.919 6.597 1.00 0.00 C ATOM 1996 O SER A 130 8.475 0.595 5.405 1.00 0.00 O ATOM 1997 CB SER A 130 10.002 2.824 7.159 1.00 0.00 C ATOM 1998 OG SER A 130 11.301 3.249 7.526 1.00 0.00 O ATOM 0 H SER A 130 11.552 1.247 6.092 1.00 0.00 H new ATOM 0 HA SER A 130 9.822 1.028 8.323 1.00 0.00 H new ATOM 0 HB2 SER A 130 9.798 3.135 6.134 1.00 0.00 H new ATOM 0 HB3 SER A 130 9.268 3.320 7.795 1.00 0.00 H new ATOM 0 HG SER A 130 11.364 4.223 7.436 1.00 0.00 H new ATOM 2004 N MET A 131 7.398 1.030 7.316 1.00 0.00 N ATOM 2005 CA MET A 131 6.107 0.662 6.761 1.00 0.00 C ATOM 2006 C MET A 131 5.690 1.590 5.640 1.00 0.00 C ATOM 2007 O MET A 131 5.206 1.113 4.622 1.00 0.00 O ATOM 2008 CB MET A 131 5.035 0.738 7.824 1.00 0.00 C ATOM 2009 CG MET A 131 5.183 -0.366 8.864 1.00 0.00 C ATOM 2010 SD MET A 131 5.923 0.179 10.419 1.00 0.00 S ATOM 2011 CE MET A 131 4.642 1.384 10.867 1.00 0.00 C ATOM 0 H MET A 131 7.367 1.370 8.277 1.00 0.00 H new ATOM 0 HA MET A 131 6.213 -0.353 6.379 1.00 0.00 H new ATOM 0 HB2 MET A 131 5.081 1.709 8.317 1.00 0.00 H new ATOM 0 HB3 MET A 131 4.054 0.665 7.355 1.00 0.00 H new ATOM 0 HG2 MET A 131 4.200 -0.790 9.071 1.00 0.00 H new ATOM 0 HG3 MET A 131 5.793 -1.166 8.445 1.00 0.00 H new ATOM 0 HE1 MET A 131 4.549 1.430 11.952 1.00 0.00 H new ATOM 0 HE2 MET A 131 4.918 2.367 10.485 1.00 0.00 H new ATOM 0 HE3 MET A 131 3.689 1.080 10.433 1.00 0.00 H new ATOM 2021 N ASP A 132 5.837 2.903 5.808 1.00 0.00 N ATOM 2022 CA ASP A 132 5.372 3.856 4.801 1.00 0.00 C ATOM 2023 C ASP A 132 6.089 3.618 3.473 1.00 0.00 C ATOM 2024 O ASP A 132 5.500 3.837 2.422 1.00 0.00 O ATOM 2025 CB ASP A 132 5.513 5.302 5.290 1.00 0.00 C ATOM 2026 CG ASP A 132 4.377 5.646 6.264 1.00 0.00 C ATOM 2027 OD1 ASP A 132 4.373 5.105 7.401 1.00 0.00 O ATOM 2028 OD2 ASP A 132 3.472 6.418 5.887 1.00 0.00 O ATOM 0 H ASP A 132 6.272 3.330 6.626 1.00 0.00 H new ATOM 0 HA ASP A 132 4.308 3.692 4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 132 6.476 5.435 5.782 1.00 0.00 H new ATOM 0 HB3 ASP A 132 5.492 5.984 4.440 1.00 0.00 H new ATOM 2033 N VAL A 133 7.309 3.072 3.500 1.00 0.00 N ATOM 2034 CA VAL A 133 7.980 2.525 2.327 1.00 0.00 C ATOM 2035 C VAL A 133 7.246 1.247 1.881 1.00 0.00 C ATOM 2036 O VAL A 133 6.603 1.250 0.837 1.00 0.00 O ATOM 2037 CB VAL A 133 9.479 2.314 2.632 1.00 0.00 C ATOM 2038 CG1 VAL A 133 10.241 1.774 1.430 1.00 0.00 C ATOM 2039 CG2 VAL A 133 10.150 3.623 3.076 1.00 0.00 C ATOM 0 H VAL A 133 7.863 2.999 4.353 1.00 0.00 H new ATOM 0 HA VAL A 133 7.940 3.221 1.489 1.00 0.00 H new ATOM 0 HB VAL A 133 9.518 1.582 3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 133 11.290 1.642 1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 133 9.818 0.814 1.132 1.00 0.00 H new ATOM 0 HG13 VAL A 133 10.161 2.478 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 133 11.204 3.439 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 133 10.060 4.365 2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 133 9.663 3.994 3.978 1.00 0.00 H new ATOM 2049 N ALA A 134 7.258 0.165 2.669 1.00 0.00 N ATOM 2050 CA ALA A 134 6.703 -1.133 2.264 1.00 0.00 C ATOM 2051 C ALA A 134 5.185 -1.148 1.982 1.00 0.00 C ATOM 2052 O ALA A 134 4.658 -2.161 1.522 1.00 0.00 O ATOM 2053 CB ALA A 134 7.000 -2.164 3.345 1.00 0.00 C ATOM 0 H ALA A 134 7.654 0.165 3.609 1.00 0.00 H new ATOM 0 HA ALA A 134 7.187 -1.366 1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.590 -3.130 3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 134 8.078 -2.253 3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.544 -1.849 4.284 1.00 0.00 H new ATOM 2059 N VAL A 135 4.446 -0.088 2.292 1.00 0.00 N ATOM 2060 CA VAL A 135 3.082 0.124 1.825 1.00 0.00 C ATOM 2061 C VAL A 135 3.102 1.092 0.635 1.00 0.00 C ATOM 2062 O VAL A 135 2.440 0.810 -0.358 1.00 0.00 O ATOM 2063 CB VAL A 135 2.149 0.566 2.977 1.00 0.00 C ATOM 2064 CG1 VAL A 135 0.698 0.543 2.473 1.00 0.00 C ATOM 2065 CG2 VAL A 135 2.232 -0.326 4.242 1.00 0.00 C ATOM 0 H VAL A 135 4.788 0.665 2.889 1.00 0.00 H new ATOM 0 HA VAL A 135 2.660 -0.817 1.472 1.00 0.00 H new ATOM 0 HB VAL A 135 2.477 1.564 3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 135 0.029 0.853 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.595 1.227 1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.439 -0.467 2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.547 0.053 5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 135 1.958 -1.349 3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 135 3.250 -0.310 4.632 1.00 0.00 H new ATOM 2075 N GLY A 136 3.867 2.185 0.701 1.00 0.00 N ATOM 2076 CA GLY A 136 3.973 3.180 -0.352 1.00 0.00 C ATOM 2077 C GLY A 136 4.379 2.574 -1.694 1.00 0.00 C ATOM 2078 O GLY A 136 3.765 2.904 -2.711 1.00 0.00 O ATOM 0 H GLY A 136 4.443 2.402 1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 136 3.016 3.690 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 136 4.705 3.934 -0.062 1.00 0.00 H new ATOM 2082 N GLU A 137 5.393 1.702 -1.693 1.00 0.00 N ATOM 2083 CA GLU A 137 6.056 1.207 -2.894 1.00 0.00 C ATOM 2084 C GLU A 137 5.185 0.178 -3.616 1.00 0.00 C ATOM 2085 O GLU A 137 5.066 0.245 -4.832 1.00 0.00 O ATOM 2086 CB GLU A 137 7.439 0.606 -2.565 1.00 0.00 C ATOM 2087 CG GLU A 137 8.435 1.623 -1.965 1.00 0.00 C ATOM 2088 CD GLU A 137 9.903 1.323 -2.296 1.00 0.00 C ATOM 2089 OE1 GLU A 137 10.380 1.828 -3.334 1.00 0.00 O ATOM 2090 OE2 GLU A 137 10.561 0.652 -1.468 1.00 0.00 O ATOM 0 H GLU A 137 5.781 1.314 -0.833 1.00 0.00 H new ATOM 0 HA GLU A 137 6.207 2.058 -3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 137 7.309 -0.218 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.868 0.185 -3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 137 8.186 2.619 -2.330 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.313 1.641 -0.882 1.00 0.00 H new ATOM 2097 N ILE A 138 4.530 -0.753 -2.908 1.00 0.00 N ATOM 2098 CA ILE A 138 3.738 -1.784 -3.595 1.00 0.00 C ATOM 2099 C ILE A 138 2.577 -1.170 -4.376 1.00 0.00 C ATOM 2100 O ILE A 138 2.217 -1.642 -5.450 1.00 0.00 O ATOM 2101 CB ILE A 138 3.271 -2.897 -2.629 1.00 0.00 C ATOM 2102 CG1 ILE A 138 2.326 -3.900 -3.333 1.00 0.00 C ATOM 2103 CG2 ILE A 138 2.629 -2.352 -1.335 1.00 0.00 C ATOM 2104 CD1 ILE A 138 2.119 -5.251 -2.631 1.00 0.00 C ATOM 0 H ILE A 138 4.530 -0.815 -1.890 1.00 0.00 H new ATOM 0 HA ILE A 138 4.393 -2.264 -4.322 1.00 0.00 H new ATOM 0 HB ILE A 138 4.175 -3.427 -2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.352 -3.425 -3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.714 -4.091 -4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 138 2.324 -3.185 -0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 138 3.353 -1.736 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.757 -1.749 -1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.438 -5.866 -3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 138 3.077 -5.761 -2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.694 -5.085 -1.641 1.00 0.00 H new ATOM 2116 N LEU A 139 1.984 -0.112 -3.835 1.00 0.00 N ATOM 2117 CA LEU A 139 0.883 0.601 -4.461 1.00 0.00 C ATOM 2118 C LEU A 139 1.335 1.236 -5.778 1.00 0.00 C ATOM 2119 O LEU A 139 0.612 1.259 -6.764 1.00 0.00 O ATOM 2120 CB LEU A 139 0.437 1.674 -3.471 1.00 0.00 C ATOM 2121 CG LEU A 139 -0.256 1.120 -2.201 1.00 0.00 C ATOM 2122 CD1 LEU A 139 -0.550 2.226 -1.190 1.00 0.00 C ATOM 2123 CD2 LEU A 139 -1.570 0.388 -2.459 1.00 0.00 C ATOM 0 H LEU A 139 2.261 0.279 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 139 0.062 -0.076 -4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.306 2.259 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.247 2.356 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 139 0.466 0.402 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.036 1.798 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.383 2.703 -0.891 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.207 2.968 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -1.982 0.036 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.278 1.068 -2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.389 -0.463 -3.116 1.00 0.00 H new ATOM 2135 N ALA A 140 2.551 1.757 -5.806 1.00 0.00 N ATOM 2136 CA ALA A 140 3.187 2.205 -7.037 1.00 0.00 C ATOM 2137 C ALA A 140 3.348 1.109 -8.117 1.00 0.00 C ATOM 2138 O ALA A 140 3.754 1.464 -9.220 1.00 0.00 O ATOM 2139 CB ALA A 140 4.511 2.903 -6.705 1.00 0.00 C ATOM 0 H ALA A 140 3.127 1.882 -4.974 1.00 0.00 H new ATOM 0 HA ALA A 140 2.509 2.921 -7.502 1.00 0.00 H new ATOM 0 HB1 ALA A 140 4.987 3.238 -7.627 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.318 3.762 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 140 5.171 2.205 -6.189 1.00 0.00 H new ATOM 2145 N GLU A 141 3.048 -0.173 -7.872 1.00 0.00 N ATOM 2146 CA GLU A 141 3.150 -1.249 -8.861 1.00 0.00 C ATOM 2147 C GLU A 141 1.879 -2.081 -9.070 1.00 0.00 C ATOM 2148 O GLU A 141 1.593 -2.478 -10.204 1.00 0.00 O ATOM 2149 CB GLU A 141 4.359 -2.120 -8.478 1.00 0.00 C ATOM 2150 CG GLU A 141 5.562 -1.548 -9.226 1.00 0.00 C ATOM 2151 CD GLU A 141 6.946 -1.772 -8.669 1.00 0.00 C ATOM 2152 OE1 GLU A 141 7.108 -1.944 -7.441 1.00 0.00 O ATOM 2153 OE2 GLU A 141 7.861 -1.567 -9.508 1.00 0.00 O ATOM 0 H GLU A 141 2.721 -0.496 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 141 3.290 -0.785 -9.837 1.00 0.00 H new ATOM 0 HB2 GLU A 141 4.526 -2.099 -7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 141 4.190 -3.161 -8.754 1.00 0.00 H new ATOM 0 HG2 GLU A 141 5.545 -1.956 -10.237 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.413 -0.472 -9.314 1.00 0.00 H new ATOM 2160 N VAL A 142 1.135 -2.397 -8.013 1.00 0.00 N ATOM 2161 CA VAL A 142 -0.010 -3.308 -8.064 1.00 0.00 C ATOM 2162 C VAL A 142 -1.172 -2.702 -8.853 1.00 0.00 C ATOM 2163 O VAL A 142 -1.993 -3.484 -9.380 1.00 0.00 O ATOM 2164 CB VAL A 142 -0.341 -3.717 -6.614 1.00 0.00 C ATOM 2165 CG1 VAL A 142 -1.755 -4.242 -6.379 1.00 0.00 C ATOM 2166 CG2 VAL A 142 0.643 -4.818 -6.196 1.00 0.00 C ATOM 0 H VAL A 142 1.312 -2.022 -7.081 1.00 0.00 H new ATOM 0 HA VAL A 142 0.222 -4.217 -8.618 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.260 -2.804 -6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.877 -4.499 -5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.478 -3.473 -6.651 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -1.920 -5.129 -6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.431 -5.126 -5.172 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.536 -5.674 -6.862 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.662 -4.437 -6.256 1.00 0.00 H new