USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 859 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 98 THR OG1 : rot 180:sc= -0.238 USER MOD Set 1.2: A 129 HIS : no HD1:sc= -2.79 K(o=-3,f=-1.9!) USER MOD Set 2.1: A 9 LYS NZ :NH3+ -129:sc= -1.01 (180deg=-2.29!) USER MOD Set 2.2: A 105 SER OG : rot 150:sc=-0.00229 USER MOD Set 2.3: A 121 ASN : amide:sc= -1.62! C(o=-2.6!,f=-5.6!) USER MOD Set 3.1: A 80 SER OG : rot 180:sc= -0.0808 USER MOD Set 3.2: A 81 GLN : amide:sc= -0.293 K(o=-0.37,f=1.1) USER MOD Set 4.1: A 55 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 68 THR OG1 : rot 112:sc= 0.691 USER MOD Set 5.1: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -5.21! C(o=-5.2!,f=-11!) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= -0.112 (180deg=-0.788) USER MOD Single : A 17 THR OG1 : rot 97:sc= 0.718 USER MOD Single : A 19 ASN : amide:sc= -13.7! C(o=-14!,f=-15!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.97! K(o=-3!,f=-0.45) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -2.08 K(o=-2.1,f=-3.1!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -110:sc= -0.518 (180deg=-0.963) USER MOD Single : A 38 ASN : amide:sc= -2.84 K(o=-2.8,f=-0.48) USER MOD Single : A 39 SER OG : rot -15:sc= 0.711! USER MOD Single : A 41 ASN : amide:sc= -4.2! K(o=-4.2!,f=-0.41) USER MOD Single : A 44 LYS NZ :NH3+ 173:sc= -2.98! (180deg=-3.2!) USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= -0.0822 (180deg=-0.576) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.683 USER MOD Single : A 52 THR OG1 : rot 140:sc= 0.00105 USER MOD Single : A 56 THR OG1 : rot 152:sc= -1.01 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -43:sc= 0.731! USER MOD Single : A 73 LYS NZ :NH3+ -159:sc= -0.0734 (180deg=-0.471) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.9! K(o=-1.9!,f=0) USER MOD Single : A 87 THR OG1 : rot 58:sc= -0.227 USER MOD Single : A 91 GLN : amide:sc= 0.00129 X(o=0.0013,f=-0.48) USER MOD Single : A 93 MET CE :methyl -113:sc= -0.524 (180deg=-5.59!) USER MOD Single : A 97 SER OG : rot -65:sc= 0.0385 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 140:sc= -5.02! USER MOD Single : A 123 THR OG1 : rot 160:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ -128:sc= 0 (180deg=-1.48) USER MOD Single : A 132 SER OG : rot 180:sc= -0.729 USER MOD Single : A 134 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0557) USER MOD ----------------------------------------------------------------- ATOM 103 N GLU A 7 98.623 20.944 10.053 1.00 1.00 N ATOM 104 CA GLU A 7 98.084 19.725 10.646 1.00 1.00 C ATOM 105 C GLU A 7 98.711 18.500 10.012 1.00 1.00 C ATOM 106 O GLU A 7 99.229 17.615 10.682 1.00 1.00 O ATOM 107 CB GLU A 7 96.579 19.666 10.440 1.00 1.00 C ATOM 108 CG GLU A 7 95.966 21.033 10.703 1.00 1.00 C ATOM 109 CD GLU A 7 94.445 20.941 10.673 1.00 1.00 C ATOM 110 OE1 GLU A 7 93.940 19.845 10.500 1.00 1.00 O ATOM 111 OE2 GLU A 7 93.806 21.971 10.818 1.00 1.00 O ATOM 0 HA GLU A 7 98.313 19.738 11.712 1.00 1.00 H new ATOM 0 HB2 GLU A 7 96.355 19.347 9.422 1.00 1.00 H new ATOM 0 HB3 GLU A 7 96.140 18.926 11.110 1.00 1.00 H new ATOM 0 HG2 GLU A 7 96.296 21.408 11.672 1.00 1.00 H new ATOM 0 HG3 GLU A 7 96.310 21.745 9.952 1.00 1.00 H new ATOM 118 N ASN A 8 98.659 18.476 8.709 1.00 1.00 N ATOM 119 CA ASN A 8 99.214 17.374 7.953 1.00 1.00 C ATOM 120 C ASN A 8 100.690 17.278 8.271 1.00 1.00 C ATOM 121 O ASN A 8 101.260 16.193 8.385 1.00 1.00 O ATOM 122 CB ASN A 8 99.023 17.668 6.475 1.00 1.00 C ATOM 123 CG ASN A 8 97.578 18.056 6.219 1.00 1.00 C ATOM 124 OD1 ASN A 8 96.796 18.195 7.158 1.00 1.00 O ATOM 125 ND2 ASN A 8 97.178 18.240 4.997 1.00 1.00 N ATOM 0 H ASN A 8 98.236 19.210 8.140 1.00 1.00 H new ATOM 0 HA ASN A 8 98.723 16.435 8.206 1.00 1.00 H new ATOM 0 HB2 ASN A 8 99.688 18.474 6.165 1.00 1.00 H new ATOM 0 HB3 ASN A 8 99.286 16.792 5.882 1.00 1.00 H new ATOM 0 HD21 ASN A 8 96.210 18.502 4.811 1.00 1.00 H new ATOM 0 HD22 ASN A 8 97.832 18.123 4.223 1.00 1.00 H new ATOM 132 N LYS A 9 101.287 18.444 8.422 1.00 1.00 N ATOM 133 CA LYS A 9 102.704 18.544 8.741 1.00 1.00 C ATOM 134 C LYS A 9 103.000 18.020 10.145 1.00 1.00 C ATOM 135 O LYS A 9 103.894 17.208 10.336 1.00 1.00 O ATOM 136 CB LYS A 9 103.114 20.034 8.638 1.00 1.00 C ATOM 137 CG LYS A 9 104.265 20.384 9.611 1.00 1.00 C ATOM 138 CD LYS A 9 104.912 21.798 9.389 1.00 1.00 C ATOM 139 CE LYS A 9 104.412 22.525 8.134 1.00 1.00 C ATOM 140 NZ LYS A 9 104.978 21.875 6.916 1.00 1.00 N ATOM 0 H LYS A 9 100.812 19.342 8.329 1.00 1.00 H new ATOM 0 HA LYS A 9 103.274 17.935 8.040 1.00 1.00 H new ATOM 0 HB2 LYS A 9 103.422 20.256 7.616 1.00 1.00 H new ATOM 0 HB3 LYS A 9 102.251 20.664 8.855 1.00 1.00 H new ATOM 0 HG2 LYS A 9 103.887 20.330 10.632 1.00 1.00 H new ATOM 0 HG3 LYS A 9 105.043 19.626 9.518 1.00 1.00 H new ATOM 0 HD2 LYS A 9 104.709 22.420 10.261 1.00 1.00 H new ATOM 0 HD3 LYS A 9 105.994 21.684 9.323 1.00 1.00 H new ATOM 0 HE2 LYS A 9 103.323 22.501 8.098 1.00 1.00 H new ATOM 0 HE3 LYS A 9 104.707 23.574 8.168 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 105.414 22.597 6.308 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 105.698 21.179 7.197 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 104.218 21.395 6.393 1.00 1.00 H new ATOM 154 N VAL A 10 102.276 18.516 11.134 1.00 1.00 N ATOM 155 CA VAL A 10 102.547 18.107 12.500 1.00 1.00 C ATOM 156 C VAL A 10 102.198 16.654 12.738 1.00 1.00 C ATOM 157 O VAL A 10 102.999 15.894 13.282 1.00 1.00 O ATOM 158 CB VAL A 10 101.805 19.013 13.471 1.00 1.00 C ATOM 159 CG1 VAL A 10 102.023 18.516 14.880 1.00 1.00 C ATOM 160 CG2 VAL A 10 102.356 20.428 13.316 1.00 1.00 C ATOM 0 H VAL A 10 101.515 19.186 11.022 1.00 1.00 H new ATOM 0 HA VAL A 10 103.619 18.205 12.672 1.00 1.00 H new ATOM 0 HB VAL A 10 100.735 19.011 13.263 1.00 1.00 H new ATOM 0 HG11 VAL A 10 101.493 19.162 15.580 1.00 1.00 H new ATOM 0 HG12 VAL A 10 101.645 17.497 14.969 1.00 1.00 H new ATOM 0 HG13 VAL A 10 103.088 18.529 15.110 1.00 1.00 H new ATOM 0 HG21 VAL A 10 101.839 21.097 14.003 1.00 1.00 H new ATOM 0 HG22 VAL A 10 103.422 20.430 13.542 1.00 1.00 H new ATOM 0 HG23 VAL A 10 102.201 20.769 12.292 1.00 1.00 H new ATOM 164 N LYS A 11 101.016 16.265 12.316 1.00 1.00 N ATOM 165 CA LYS A 11 100.599 14.896 12.476 1.00 1.00 C ATOM 166 C LYS A 11 101.531 14.025 11.663 1.00 1.00 C ATOM 167 O LYS A 11 101.869 12.915 12.058 1.00 1.00 O ATOM 168 CB LYS A 11 99.155 14.727 12.019 1.00 1.00 C ATOM 169 CG LYS A 11 98.178 15.255 13.095 1.00 1.00 C ATOM 170 CD LYS A 11 98.024 16.774 12.972 1.00 1.00 C ATOM 171 CE LYS A 11 97.291 17.321 14.197 1.00 1.00 C ATOM 172 NZ LYS A 11 96.220 16.367 14.600 1.00 1.00 N ATOM 0 H LYS A 11 100.334 16.873 11.864 1.00 1.00 H new ATOM 0 HA LYS A 11 100.645 14.604 13.525 1.00 1.00 H new ATOM 0 HB2 LYS A 11 98.999 15.264 11.083 1.00 1.00 H new ATOM 0 HB3 LYS A 11 98.952 13.675 11.820 1.00 1.00 H new ATOM 0 HG2 LYS A 11 97.207 14.774 12.982 1.00 1.00 H new ATOM 0 HG3 LYS A 11 98.547 14.999 14.088 1.00 1.00 H new ATOM 0 HD2 LYS A 11 99.004 17.242 12.884 1.00 1.00 H new ATOM 0 HD3 LYS A 11 97.471 17.020 12.066 1.00 1.00 H new ATOM 0 HE2 LYS A 11 97.992 17.466 15.019 1.00 1.00 H new ATOM 0 HE3 LYS A 11 96.859 18.296 13.971 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 95.546 16.848 15.229 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 95.721 16.027 13.753 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 96.644 15.559 15.099 1.00 1.00 H new ATOM 186 N GLY A 12 101.945 14.566 10.524 1.00 1.00 N ATOM 187 CA GLY A 12 102.857 13.862 9.628 1.00 1.00 C ATOM 188 C GLY A 12 104.287 13.845 10.163 1.00 1.00 C ATOM 189 O GLY A 12 104.958 12.817 10.128 1.00 1.00 O ATOM 0 H GLY A 12 101.664 15.491 10.198 1.00 1.00 H new ATOM 0 HA2 GLY A 12 102.510 12.838 9.489 1.00 1.00 H new ATOM 0 HA3 GLY A 12 102.842 14.339 8.648 1.00 1.00 H new ATOM 193 N GLU A 13 104.755 14.976 10.672 1.00 1.00 N ATOM 194 CA GLU A 13 106.107 15.023 11.215 1.00 1.00 C ATOM 195 C GLU A 13 106.203 14.056 12.378 1.00 1.00 C ATOM 196 O GLU A 13 107.251 13.472 12.631 1.00 1.00 O ATOM 197 CB GLU A 13 106.469 16.442 11.684 1.00 1.00 C ATOM 198 CG GLU A 13 106.841 17.311 10.482 1.00 1.00 C ATOM 199 CD GLU A 13 107.059 18.754 10.924 1.00 1.00 C ATOM 200 OE1 GLU A 13 107.367 19.574 10.075 1.00 1.00 O ATOM 201 OE2 GLU A 13 106.912 19.019 12.105 1.00 1.00 O ATOM 0 H GLU A 13 104.236 15.852 10.721 1.00 1.00 H new ATOM 0 HA GLU A 13 106.811 14.740 10.432 1.00 1.00 H new ATOM 0 HB2 GLU A 13 105.627 16.884 12.216 1.00 1.00 H new ATOM 0 HB3 GLU A 13 107.303 16.401 12.385 1.00 1.00 H new ATOM 0 HG2 GLU A 13 107.746 16.926 10.012 1.00 1.00 H new ATOM 0 HG3 GLU A 13 106.050 17.268 9.734 1.00 1.00 H new ATOM 208 N ALA A 14 105.087 13.886 13.070 1.00 1.00 N ATOM 209 CA ALA A 14 105.019 12.988 14.203 1.00 1.00 C ATOM 210 C ALA A 14 104.903 11.553 13.723 1.00 1.00 C ATOM 211 O ALA A 14 105.376 10.618 14.368 1.00 1.00 O ATOM 212 CB ALA A 14 103.807 13.335 15.065 1.00 1.00 C ATOM 0 H ALA A 14 104.211 14.365 12.861 1.00 1.00 H new ATOM 0 HA ALA A 14 105.929 13.096 14.794 1.00 1.00 H new ATOM 0 HB1 ALA A 14 103.760 12.656 15.917 1.00 1.00 H new ATOM 0 HB2 ALA A 14 103.897 14.361 15.423 1.00 1.00 H new ATOM 0 HB3 ALA A 14 102.898 13.236 14.472 1.00 1.00 H new ATOM 218 N PHE A 15 104.246 11.405 12.583 1.00 1.00 N ATOM 219 CA PHE A 15 104.022 10.106 11.977 1.00 1.00 C ATOM 220 C PHE A 15 105.341 9.448 11.611 1.00 1.00 C ATOM 221 O PHE A 15 105.586 8.295 11.961 1.00 1.00 O ATOM 222 CB PHE A 15 103.159 10.338 10.742 1.00 1.00 C ATOM 223 CG PHE A 15 102.675 9.055 10.151 1.00 1.00 C ATOM 224 CD1 PHE A 15 103.346 8.507 9.065 1.00 1.00 C ATOM 225 CD2 PHE A 15 101.518 8.448 10.649 1.00 1.00 C ATOM 226 CE1 PHE A 15 102.864 7.348 8.466 1.00 1.00 C ATOM 227 CE2 PHE A 15 101.040 7.278 10.059 1.00 1.00 C ATOM 228 CZ PHE A 15 101.714 6.730 8.964 1.00 1.00 C ATOM 0 H PHE A 15 103.854 12.184 12.053 1.00 1.00 H new ATOM 0 HA PHE A 15 103.521 9.432 12.672 1.00 1.00 H new ATOM 0 HB2 PHE A 15 102.304 10.960 11.008 1.00 1.00 H new ATOM 0 HB3 PHE A 15 103.733 10.887 9.996 1.00 1.00 H new ATOM 0 HD1 PHE A 15 104.240 8.980 8.687 1.00 1.00 H new ATOM 0 HD2 PHE A 15 100.996 8.884 11.488 1.00 1.00 H new ATOM 0 HE1 PHE A 15 103.379 6.926 7.616 1.00 1.00 H new ATOM 0 HE2 PHE A 15 100.154 6.798 10.446 1.00 1.00 H new ATOM 0 HZ PHE A 15 101.345 5.826 8.502 1.00 1.00 H new ATOM 238 N LEU A 16 106.201 10.189 10.937 1.00 1.00 N ATOM 239 CA LEU A 16 107.504 9.645 10.576 1.00 1.00 C ATOM 240 C LEU A 16 108.356 9.482 11.817 1.00 1.00 C ATOM 241 O LEU A 16 109.072 8.493 11.968 1.00 1.00 O ATOM 242 CB LEU A 16 108.243 10.546 9.583 1.00 1.00 C ATOM 243 CG LEU A 16 107.585 10.494 8.184 1.00 1.00 C ATOM 244 CD1 LEU A 16 106.480 11.559 8.048 1.00 1.00 C ATOM 245 CD2 LEU A 16 108.666 10.733 7.130 1.00 1.00 C ATOM 0 H LEU A 16 106.031 11.148 10.633 1.00 1.00 H new ATOM 0 HA LEU A 16 107.333 8.678 10.102 1.00 1.00 H new ATOM 0 HB2 LEU A 16 108.243 11.572 9.950 1.00 1.00 H new ATOM 0 HB3 LEU A 16 109.285 10.233 9.510 1.00 1.00 H new ATOM 0 HG LEU A 16 107.124 9.516 8.044 1.00 1.00 H new ATOM 0 HD11 LEU A 16 106.036 11.498 7.054 1.00 1.00 H new ATOM 0 HD12 LEU A 16 105.711 11.384 8.800 1.00 1.00 H new ATOM 0 HD13 LEU A 16 106.910 12.550 8.193 1.00 1.00 H new ATOM 0 HD21 LEU A 16 108.219 10.700 6.136 1.00 1.00 H new ATOM 0 HD22 LEU A 16 109.121 11.710 7.291 1.00 1.00 H new ATOM 0 HD23 LEU A 16 109.430 9.960 7.210 1.00 1.00 H new ATOM 257 N THR A 17 108.271 10.456 12.705 1.00 1.00 N ATOM 258 CA THR A 17 109.046 10.402 13.932 1.00 1.00 C ATOM 259 C THR A 17 108.645 9.179 14.729 1.00 1.00 C ATOM 260 O THR A 17 109.483 8.494 15.312 1.00 1.00 O ATOM 261 CB THR A 17 108.829 11.654 14.781 1.00 1.00 C ATOM 262 OG1 THR A 17 108.991 12.809 13.976 1.00 1.00 O ATOM 263 CG2 THR A 17 109.845 11.675 15.911 1.00 1.00 C ATOM 0 H THR A 17 107.682 11.283 12.603 1.00 1.00 H new ATOM 0 HA THR A 17 110.102 10.347 13.666 1.00 1.00 H new ATOM 0 HB THR A 17 107.821 11.644 15.195 1.00 1.00 H new ATOM 0 HG1 THR A 17 108.113 13.123 13.675 1.00 1.00 H new ATOM 0 HG21 THR A 17 109.694 12.567 16.520 1.00 1.00 H new ATOM 0 HG22 THR A 17 109.719 10.787 16.531 1.00 1.00 H new ATOM 0 HG23 THR A 17 110.852 11.686 15.495 1.00 1.00 H new ATOM 271 N GLU A 18 107.346 8.928 14.765 1.00 1.00 N ATOM 272 CA GLU A 18 106.819 7.803 15.496 1.00 1.00 C ATOM 273 C GLU A 18 107.064 6.491 14.759 1.00 1.00 C ATOM 274 O GLU A 18 107.471 5.501 15.366 1.00 1.00 O ATOM 275 CB GLU A 18 105.324 8.002 15.739 1.00 1.00 C ATOM 276 CG GLU A 18 104.760 6.824 16.542 1.00 1.00 C ATOM 277 CD GLU A 18 103.296 7.074 16.879 1.00 1.00 C ATOM 278 OE1 GLU A 18 102.793 6.406 17.767 1.00 1.00 O ATOM 279 OE2 GLU A 18 102.696 7.918 16.237 1.00 1.00 O ATOM 0 H GLU A 18 106.641 9.494 14.293 1.00 1.00 H new ATOM 0 HA GLU A 18 107.339 7.745 16.452 1.00 1.00 H new ATOM 0 HB2 GLU A 18 105.156 8.934 16.279 1.00 1.00 H new ATOM 0 HB3 GLU A 18 104.801 8.087 14.787 1.00 1.00 H new ATOM 0 HG2 GLU A 18 104.857 5.903 15.968 1.00 1.00 H new ATOM 0 HG3 GLU A 18 105.335 6.690 17.459 1.00 1.00 H new ATOM 286 N ASN A 19 106.778 6.474 13.457 1.00 1.00 N ATOM 287 CA ASN A 19 106.936 5.247 12.678 1.00 1.00 C ATOM 288 C ASN A 19 108.363 4.727 12.672 1.00 1.00 C ATOM 289 O ASN A 19 108.584 3.528 12.839 1.00 1.00 O ATOM 290 CB ASN A 19 106.510 5.476 11.236 1.00 1.00 C ATOM 291 CG ASN A 19 106.625 4.168 10.477 1.00 1.00 C ATOM 292 OD1 ASN A 19 106.098 3.146 10.913 1.00 1.00 O ATOM 293 ND2 ASN A 19 107.289 4.139 9.368 1.00 1.00 N ATOM 0 H ASN A 19 106.442 7.279 12.928 1.00 1.00 H new ATOM 0 HA ASN A 19 106.302 4.503 13.160 1.00 1.00 H new ATOM 0 HB2 ASN A 19 105.485 5.844 11.200 1.00 1.00 H new ATOM 0 HB3 ASN A 19 107.139 6.237 10.773 1.00 1.00 H new ATOM 0 HD21 ASN A 19 107.378 3.265 8.850 1.00 1.00 H new ATOM 0 HD22 ASN A 19 107.724 4.990 9.012 1.00 1.00 H new ATOM 300 N LYS A 20 109.327 5.600 12.474 1.00 1.00 N ATOM 301 CA LYS A 20 110.709 5.146 12.445 1.00 1.00 C ATOM 302 C LYS A 20 111.058 4.507 13.783 1.00 1.00 C ATOM 303 O LYS A 20 111.902 3.615 13.860 1.00 1.00 O ATOM 304 CB LYS A 20 111.662 6.308 12.157 1.00 1.00 C ATOM 305 CG LYS A 20 111.571 7.324 13.292 1.00 1.00 C ATOM 306 CD LYS A 20 112.273 8.627 12.896 1.00 1.00 C ATOM 307 CE LYS A 20 113.768 8.388 12.721 1.00 1.00 C ATOM 308 NZ LYS A 20 114.481 9.696 12.747 1.00 1.00 N ATOM 0 H LYS A 20 109.191 6.601 12.334 1.00 1.00 H new ATOM 0 HA LYS A 20 110.819 4.413 11.646 1.00 1.00 H new ATOM 0 HB2 LYS A 20 112.684 5.941 12.062 1.00 1.00 H new ATOM 0 HB3 LYS A 20 111.404 6.780 11.209 1.00 1.00 H new ATOM 0 HG2 LYS A 20 110.526 7.523 13.528 1.00 1.00 H new ATOM 0 HG3 LYS A 20 112.029 6.915 14.193 1.00 1.00 H new ATOM 0 HD2 LYS A 20 111.848 9.010 11.968 1.00 1.00 H new ATOM 0 HD3 LYS A 20 112.106 9.386 13.661 1.00 1.00 H new ATOM 0 HE2 LYS A 20 114.140 7.742 13.516 1.00 1.00 H new ATOM 0 HE3 LYS A 20 113.958 7.875 11.778 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 115.502 9.537 12.628 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 114.132 10.297 11.974 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 114.308 10.168 13.658 1.00 1.00 H new ATOM 322 N ASN A 21 110.387 4.976 14.833 1.00 1.00 N ATOM 323 CA ASN A 21 110.609 4.458 16.179 1.00 1.00 C ATOM 324 C ASN A 21 109.862 3.147 16.395 1.00 1.00 C ATOM 325 O ASN A 21 110.275 2.312 17.198 1.00 1.00 O ATOM 326 CB ASN A 21 110.148 5.490 17.218 1.00 1.00 C ATOM 327 CG ASN A 21 111.176 6.611 17.349 1.00 1.00 C ATOM 328 OD1 ASN A 21 111.051 7.475 18.218 1.00 1.00 O ATOM 329 ND2 ASN A 21 112.189 6.649 16.529 1.00 1.00 N ATOM 0 H ASN A 21 109.685 5.714 14.776 1.00 1.00 H new ATOM 0 HA ASN A 21 111.676 4.269 16.297 1.00 1.00 H new ATOM 0 HB2 ASN A 21 109.184 5.905 16.924 1.00 1.00 H new ATOM 0 HB3 ASN A 21 110.005 5.004 18.183 1.00 1.00 H new ATOM 0 HD21 ASN A 21 112.880 7.395 16.606 1.00 1.00 H new ATOM 0 HD22 ASN A 21 112.290 5.932 15.810 1.00 1.00 H new ATOM 336 N LYS A 22 108.737 2.993 15.711 1.00 1.00 N ATOM 337 CA LYS A 22 107.915 1.808 15.874 1.00 1.00 C ATOM 338 C LYS A 22 108.683 0.508 15.525 1.00 1.00 C ATOM 339 O LYS A 22 109.474 0.494 14.582 1.00 1.00 O ATOM 340 CB LYS A 22 106.664 1.934 14.994 1.00 1.00 C ATOM 341 CG LYS A 22 105.619 2.885 15.639 1.00 1.00 C ATOM 342 CD LYS A 22 104.193 2.457 15.257 1.00 1.00 C ATOM 343 CE LYS A 22 103.966 2.692 13.767 1.00 1.00 C ATOM 344 NZ LYS A 22 102.744 1.960 13.329 1.00 1.00 N ATOM 0 H LYS A 22 108.376 3.672 15.041 1.00 1.00 H new ATOM 0 HA LYS A 22 107.631 1.739 16.924 1.00 1.00 H new ATOM 0 HB2 LYS A 22 106.944 2.310 14.010 1.00 1.00 H new ATOM 0 HB3 LYS A 22 106.221 0.950 14.844 1.00 1.00 H new ATOM 0 HG2 LYS A 22 105.730 2.875 16.723 1.00 1.00 H new ATOM 0 HG3 LYS A 22 105.798 3.909 15.310 1.00 1.00 H new ATOM 0 HD2 LYS A 22 104.043 1.404 15.496 1.00 1.00 H new ATOM 0 HD3 LYS A 22 103.465 3.023 15.839 1.00 1.00 H new ATOM 0 HE2 LYS A 22 103.855 3.758 13.569 1.00 1.00 H new ATOM 0 HE3 LYS A 22 104.831 2.351 13.198 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 102.589 2.120 12.313 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 102.867 0.942 13.504 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 101.922 2.306 13.863 1.00 1.00 H new ATOM 358 N PRO A 23 108.456 -0.590 16.246 1.00 1.00 N ATOM 359 CA PRO A 23 109.141 -1.900 15.962 1.00 1.00 C ATOM 360 C PRO A 23 108.917 -2.406 14.531 1.00 1.00 C ATOM 361 O PRO A 23 107.868 -2.172 13.933 1.00 1.00 O ATOM 362 CB PRO A 23 108.522 -2.886 16.970 1.00 1.00 C ATOM 363 CG PRO A 23 107.970 -2.038 18.060 1.00 1.00 C ATOM 364 CD PRO A 23 107.548 -0.719 17.410 1.00 1.00 C ATOM 0 HA PRO A 23 110.221 -1.792 16.058 1.00 1.00 H new ATOM 0 HB2 PRO A 23 107.740 -3.486 16.504 1.00 1.00 H new ATOM 0 HB3 PRO A 23 109.271 -3.580 17.352 1.00 1.00 H new ATOM 0 HG2 PRO A 23 107.120 -2.525 18.538 1.00 1.00 H new ATOM 0 HG3 PRO A 23 108.717 -1.867 18.835 1.00 1.00 H new ATOM 0 HD2 PRO A 23 106.503 -0.742 17.101 1.00 1.00 H new ATOM 0 HD3 PRO A 23 107.659 0.119 18.098 1.00 1.00 H new ATOM 372 N GLY A 24 109.911 -3.120 14.012 1.00 1.00 N ATOM 373 CA GLY A 24 109.834 -3.694 12.672 1.00 1.00 C ATOM 374 C GLY A 24 110.104 -2.664 11.591 1.00 1.00 C ATOM 375 O GLY A 24 110.432 -3.016 10.464 1.00 1.00 O ATOM 0 H GLY A 24 110.784 -3.316 14.502 1.00 1.00 H new ATOM 0 HA2 GLY A 24 110.555 -4.507 12.585 1.00 1.00 H new ATOM 0 HA3 GLY A 24 108.845 -4.127 12.520 1.00 1.00 H new ATOM 379 N VAL A 25 109.972 -1.393 11.934 1.00 1.00 N ATOM 380 CA VAL A 25 110.203 -0.329 10.961 1.00 1.00 C ATOM 381 C VAL A 25 111.684 0.025 10.886 1.00 1.00 C ATOM 382 O VAL A 25 112.353 0.182 11.906 1.00 1.00 O ATOM 383 CB VAL A 25 109.411 0.930 11.351 1.00 1.00 C ATOM 384 CG1 VAL A 25 109.581 2.025 10.291 1.00 1.00 C ATOM 385 CG2 VAL A 25 107.930 0.598 11.498 1.00 1.00 C ATOM 0 H VAL A 25 109.710 -1.072 12.866 1.00 1.00 H new ATOM 0 HA VAL A 25 109.870 -0.689 9.988 1.00 1.00 H new ATOM 0 HB VAL A 25 109.799 1.292 12.303 1.00 1.00 H new ATOM 0 HG11 VAL A 25 109.013 2.908 10.585 1.00 1.00 H new ATOM 0 HG12 VAL A 25 110.636 2.285 10.203 1.00 1.00 H new ATOM 0 HG13 VAL A 25 109.215 1.662 9.331 1.00 1.00 H new ATOM 0 HG21 VAL A 25 107.381 1.498 11.774 1.00 1.00 H new ATOM 0 HG22 VAL A 25 107.547 0.216 10.552 1.00 1.00 H new ATOM 0 HG23 VAL A 25 107.802 -0.157 12.273 1.00 1.00 H new ATOM 389 N VAL A 26 112.168 0.189 9.659 1.00 1.00 N ATOM 390 CA VAL A 26 113.560 0.576 9.415 1.00 1.00 C ATOM 391 C VAL A 26 113.551 1.868 8.614 1.00 1.00 C ATOM 392 O VAL A 26 112.928 1.934 7.556 1.00 1.00 O ATOM 393 CB VAL A 26 114.277 -0.522 8.624 1.00 1.00 C ATOM 394 CG1 VAL A 26 115.664 -0.059 8.205 1.00 1.00 C ATOM 395 CG2 VAL A 26 114.388 -1.774 9.473 1.00 1.00 C ATOM 0 H VAL A 26 111.616 0.060 8.811 1.00 1.00 H new ATOM 0 HA VAL A 26 114.085 0.717 10.360 1.00 1.00 H new ATOM 0 HB VAL A 26 113.698 -0.741 7.727 1.00 1.00 H new ATOM 0 HG11 VAL A 26 116.158 -0.852 7.644 1.00 1.00 H new ATOM 0 HG12 VAL A 26 115.577 0.829 7.578 1.00 1.00 H new ATOM 0 HG13 VAL A 26 116.252 0.179 9.092 1.00 1.00 H new ATOM 0 HG21 VAL A 26 114.899 -2.553 8.907 1.00 1.00 H new ATOM 0 HG22 VAL A 26 114.955 -1.551 10.377 1.00 1.00 H new ATOM 0 HG23 VAL A 26 113.390 -2.118 9.746 1.00 1.00 H new ATOM 399 N VAL A 27 114.218 2.907 9.123 1.00 1.00 N ATOM 400 CA VAL A 27 114.238 4.206 8.442 1.00 1.00 C ATOM 401 C VAL A 27 115.484 4.383 7.608 1.00 1.00 C ATOM 402 O VAL A 27 116.563 3.893 7.944 1.00 1.00 O ATOM 403 CB VAL A 27 114.084 5.353 9.457 1.00 1.00 C ATOM 404 CG1 VAL A 27 115.170 5.242 10.497 1.00 1.00 C ATOM 405 CG2 VAL A 27 114.154 6.731 8.777 1.00 1.00 C ATOM 0 H VAL A 27 114.746 2.877 9.995 1.00 1.00 H new ATOM 0 HA VAL A 27 113.388 4.234 7.760 1.00 1.00 H new ATOM 0 HB VAL A 27 113.103 5.266 9.924 1.00 1.00 H new ATOM 0 HG11 VAL A 27 115.066 6.052 11.219 1.00 1.00 H new ATOM 0 HG12 VAL A 27 115.085 4.285 11.011 1.00 1.00 H new ATOM 0 HG13 VAL A 27 116.145 5.309 10.014 1.00 1.00 H new ATOM 0 HG21 VAL A 27 114.041 7.513 9.528 1.00 1.00 H new ATOM 0 HG22 VAL A 27 115.117 6.842 8.279 1.00 1.00 H new ATOM 0 HG23 VAL A 27 113.353 6.815 8.042 1.00 1.00 H new ATOM 409 N LEU A 28 115.303 5.093 6.491 1.00 1.00 N ATOM 410 CA LEU A 28 116.395 5.353 5.558 1.00 1.00 C ATOM 411 C LEU A 28 116.744 6.840 5.530 1.00 1.00 C ATOM 412 O LEU A 28 115.964 7.667 6.004 1.00 1.00 O ATOM 413 CB LEU A 28 115.980 4.922 4.148 1.00 1.00 C ATOM 414 CG LEU A 28 115.638 3.436 4.102 1.00 1.00 C ATOM 415 CD1 LEU A 28 115.093 3.112 2.708 1.00 1.00 C ATOM 416 CD2 LEU A 28 116.902 2.608 4.366 1.00 1.00 C ATOM 0 H LEU A 28 114.408 5.497 6.213 1.00 1.00 H new ATOM 0 HA LEU A 28 117.266 4.787 5.888 1.00 1.00 H new ATOM 0 HB2 LEU A 28 115.118 5.506 3.826 1.00 1.00 H new ATOM 0 HB3 LEU A 28 116.788 5.133 3.448 1.00 1.00 H new ATOM 0 HG LEU A 28 114.895 3.197 4.862 1.00 1.00 H new ATOM 0 HD11 LEU A 28 114.842 2.053 2.653 1.00 1.00 H new ATOM 0 HD12 LEU A 28 114.200 3.707 2.519 1.00 1.00 H new ATOM 0 HD13 LEU A 28 115.849 3.345 1.958 1.00 1.00 H new ATOM 0 HD21 LEU A 28 116.655 1.547 4.333 1.00 1.00 H new ATOM 0 HD22 LEU A 28 117.649 2.831 3.604 1.00 1.00 H new ATOM 0 HD23 LEU A 28 117.301 2.857 5.349 1.00 1.00 H new ATOM 428 N PRO A 29 117.885 7.206 4.980 1.00 1.00 N ATOM 429 CA PRO A 29 118.298 8.630 4.899 1.00 1.00 C ATOM 430 C PRO A 29 117.311 9.449 4.074 1.00 1.00 C ATOM 431 O PRO A 29 117.127 10.644 4.306 1.00 1.00 O ATOM 432 CB PRO A 29 119.687 8.589 4.244 1.00 1.00 C ATOM 433 CG PRO A 29 120.157 7.191 4.450 1.00 1.00 C ATOM 434 CD PRO A 29 118.906 6.337 4.376 1.00 1.00 C ATOM 0 HA PRO A 29 118.321 9.111 5.877 1.00 1.00 H new ATOM 0 HB2 PRO A 29 119.633 8.837 3.184 1.00 1.00 H new ATOM 0 HB3 PRO A 29 120.365 9.307 4.706 1.00 1.00 H new ATOM 0 HG2 PRO A 29 120.878 6.901 3.685 1.00 1.00 H new ATOM 0 HG3 PRO A 29 120.653 7.080 5.414 1.00 1.00 H new ATOM 0 HD2 PRO A 29 118.656 6.073 3.348 1.00 1.00 H new ATOM 0 HD3 PRO A 29 119.020 5.403 4.927 1.00 1.00 H new ATOM 442 N SER A 30 116.684 8.787 3.104 1.00 1.00 N ATOM 443 CA SER A 30 115.721 9.445 2.240 1.00 1.00 C ATOM 444 C SER A 30 114.487 9.807 3.045 1.00 1.00 C ATOM 445 O SER A 30 113.648 10.595 2.611 1.00 1.00 O ATOM 446 CB SER A 30 115.335 8.506 1.094 1.00 1.00 C ATOM 447 OG SER A 30 116.517 7.934 0.549 1.00 1.00 O ATOM 0 H SER A 30 116.829 7.798 2.901 1.00 1.00 H new ATOM 0 HA SER A 30 116.161 10.352 1.827 1.00 1.00 H new ATOM 0 HB2 SER A 30 114.670 7.722 1.457 1.00 1.00 H new ATOM 0 HB3 SER A 30 114.792 9.054 0.324 1.00 1.00 H new ATOM 0 HG SER A 30 116.280 7.329 -0.185 1.00 1.00 H new ATOM 453 N GLY A 31 114.391 9.215 4.228 1.00 1.00 N ATOM 454 CA GLY A 31 113.263 9.453 5.114 1.00 1.00 C ATOM 455 C GLY A 31 112.205 8.391 4.892 1.00 1.00 C ATOM 456 O GLY A 31 111.183 8.366 5.575 1.00 1.00 O ATOM 0 H GLY A 31 115.085 8.564 4.596 1.00 1.00 H new ATOM 0 HA2 GLY A 31 113.594 9.438 6.152 1.00 1.00 H new ATOM 0 HA3 GLY A 31 112.844 10.442 4.927 1.00 1.00 H new ATOM 460 N LEU A 32 112.464 7.497 3.938 1.00 1.00 N ATOM 461 CA LEU A 32 111.520 6.429 3.649 1.00 1.00 C ATOM 462 C LEU A 32 111.712 5.328 4.677 1.00 1.00 C ATOM 463 O LEU A 32 112.838 4.911 4.951 1.00 1.00 O ATOM 464 CB LEU A 32 111.748 5.884 2.214 1.00 1.00 C ATOM 465 CG LEU A 32 110.730 4.786 1.787 1.00 1.00 C ATOM 466 CD1 LEU A 32 111.113 3.416 2.330 1.00 1.00 C ATOM 467 CD2 LEU A 32 109.318 5.139 2.242 1.00 1.00 C ATOM 0 H LEU A 32 113.306 7.493 3.363 1.00 1.00 H new ATOM 0 HA LEU A 32 110.499 6.807 3.703 1.00 1.00 H new ATOM 0 HB2 LEU A 32 111.691 6.713 1.508 1.00 1.00 H new ATOM 0 HB3 LEU A 32 112.757 5.476 2.147 1.00 1.00 H new ATOM 0 HG LEU A 32 110.754 4.743 0.698 1.00 1.00 H new ATOM 0 HD11 LEU A 32 110.377 2.679 2.009 1.00 1.00 H new ATOM 0 HD12 LEU A 32 112.096 3.136 1.951 1.00 1.00 H new ATOM 0 HD13 LEU A 32 111.141 3.451 3.419 1.00 1.00 H new ATOM 0 HD21 LEU A 32 108.628 4.355 1.930 1.00 1.00 H new ATOM 0 HD22 LEU A 32 109.298 5.229 3.328 1.00 1.00 H new ATOM 0 HD23 LEU A 32 109.017 6.086 1.794 1.00 1.00 H new ATOM 479 N GLN A 33 110.608 4.854 5.241 1.00 1.00 N ATOM 480 CA GLN A 33 110.650 3.798 6.244 1.00 1.00 C ATOM 481 C GLN A 33 109.879 2.582 5.779 1.00 1.00 C ATOM 482 O GLN A 33 108.810 2.711 5.189 1.00 1.00 O ATOM 483 CB GLN A 33 110.013 4.317 7.536 1.00 1.00 C ATOM 484 CG GLN A 33 110.849 5.467 8.122 1.00 1.00 C ATOM 485 CD GLN A 33 110.258 6.825 7.792 1.00 1.00 C ATOM 486 OE1 GLN A 33 109.345 6.935 6.974 1.00 1.00 O ATOM 487 NE2 GLN A 33 110.732 7.873 8.388 1.00 1.00 N ATOM 0 H GLN A 33 109.669 5.186 5.020 1.00 1.00 H new ATOM 0 HA GLN A 33 111.689 3.515 6.409 1.00 1.00 H new ATOM 0 HB2 GLN A 33 108.999 4.662 7.336 1.00 1.00 H new ATOM 0 HB3 GLN A 33 109.937 3.508 8.262 1.00 1.00 H new ATOM 0 HG2 GLN A 33 110.914 5.353 9.204 1.00 1.00 H new ATOM 0 HG3 GLN A 33 111.866 5.410 7.734 1.00 1.00 H new ATOM 0 HE21 GLN A 33 111.489 7.776 9.065 1.00 1.00 H new ATOM 0 HE22 GLN A 33 110.348 8.795 8.180 1.00 1.00 H new ATOM 496 N TYR A 34 110.409 1.389 6.072 1.00 1.00 N ATOM 497 CA TYR A 34 109.724 0.159 5.699 1.00 1.00 C ATOM 498 C TYR A 34 109.755 -0.843 6.824 1.00 1.00 C ATOM 499 O TYR A 34 110.703 -0.904 7.608 1.00 1.00 O ATOM 500 CB TYR A 34 110.320 -0.463 4.435 1.00 1.00 C ATOM 501 CG TYR A 34 111.755 -0.854 4.671 1.00 1.00 C ATOM 502 CD1 TYR A 34 112.040 -2.030 5.361 1.00 1.00 C ATOM 503 CD2 TYR A 34 112.795 -0.059 4.181 1.00 1.00 C ATOM 504 CE1 TYR A 34 113.367 -2.420 5.569 1.00 1.00 C ATOM 505 CE2 TYR A 34 114.123 -0.444 4.390 1.00 1.00 C ATOM 506 CZ TYR A 34 114.411 -1.624 5.085 1.00 1.00 C ATOM 507 OH TYR A 34 115.721 -2.008 5.284 1.00 1.00 O ATOM 0 H TYR A 34 111.296 1.255 6.558 1.00 1.00 H new ATOM 0 HA TYR A 34 108.688 0.426 5.491 1.00 1.00 H new ATOM 0 HB2 TYR A 34 109.740 -1.339 4.145 1.00 1.00 H new ATOM 0 HB3 TYR A 34 110.260 0.246 3.610 1.00 1.00 H new ATOM 0 HD1 TYR A 34 111.234 -2.643 5.737 1.00 1.00 H new ATOM 0 HD2 TYR A 34 112.573 0.850 3.642 1.00 1.00 H new ATOM 0 HE1 TYR A 34 113.585 -3.334 6.102 1.00 1.00 H new ATOM 0 HE2 TYR A 34 114.928 0.170 4.014 1.00 1.00 H new ATOM 0 HH TYR A 34 116.321 -1.344 4.884 1.00 1.00 H new ATOM 517 N LYS A 35 108.691 -1.633 6.886 1.00 1.00 N ATOM 518 CA LYS A 35 108.549 -2.655 7.896 1.00 1.00 C ATOM 519 C LYS A 35 108.170 -3.951 7.241 1.00 1.00 C ATOM 520 O LYS A 35 107.290 -3.991 6.386 1.00 1.00 O ATOM 521 CB LYS A 35 107.480 -2.241 8.900 1.00 1.00 C ATOM 522 CG LYS A 35 107.403 -3.240 10.058 1.00 1.00 C ATOM 523 CD LYS A 35 106.168 -4.123 9.927 1.00 1.00 C ATOM 524 CE LYS A 35 106.108 -5.065 11.118 1.00 1.00 C ATOM 525 NZ LYS A 35 106.017 -4.276 12.379 1.00 1.00 N ATOM 0 H LYS A 35 107.907 -1.578 6.235 1.00 1.00 H new ATOM 0 HA LYS A 35 109.494 -2.783 8.423 1.00 1.00 H new ATOM 0 HB2 LYS A 35 107.704 -1.247 9.286 1.00 1.00 H new ATOM 0 HB3 LYS A 35 106.512 -2.179 8.402 1.00 1.00 H new ATOM 0 HG2 LYS A 35 108.300 -3.860 10.070 1.00 1.00 H new ATOM 0 HG3 LYS A 35 107.373 -2.703 11.006 1.00 1.00 H new ATOM 0 HD2 LYS A 35 105.268 -3.509 9.886 1.00 1.00 H new ATOM 0 HD3 LYS A 35 106.208 -4.692 8.998 1.00 1.00 H new ATOM 0 HE2 LYS A 35 105.246 -5.726 11.028 1.00 1.00 H new ATOM 0 HE3 LYS A 35 106.995 -5.699 11.138 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 106.908 -4.362 12.908 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 105.845 -3.276 12.151 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 105.234 -4.638 12.959 1.00 1.00 H new ATOM 539 N VAL A 36 108.864 -5.005 7.627 1.00 1.00 N ATOM 540 CA VAL A 36 108.616 -6.317 7.034 1.00 1.00 C ATOM 541 C VAL A 36 107.557 -7.109 7.798 1.00 1.00 C ATOM 542 O VAL A 36 107.798 -7.666 8.867 1.00 1.00 O ATOM 543 CB VAL A 36 109.934 -7.099 6.931 1.00 1.00 C ATOM 544 CG1 VAL A 36 110.665 -7.104 8.269 1.00 1.00 C ATOM 545 CG2 VAL A 36 109.662 -8.540 6.476 1.00 1.00 C ATOM 0 H VAL A 36 109.595 -4.986 8.338 1.00 1.00 H new ATOM 0 HA VAL A 36 108.217 -6.162 6.032 1.00 1.00 H new ATOM 0 HB VAL A 36 110.567 -6.606 6.193 1.00 1.00 H new ATOM 0 HG11 VAL A 36 111.596 -7.663 8.173 1.00 1.00 H new ATOM 0 HG12 VAL A 36 110.887 -6.079 8.566 1.00 1.00 H new ATOM 0 HG13 VAL A 36 110.036 -7.573 9.025 1.00 1.00 H new ATOM 0 HG21 VAL A 36 110.604 -9.084 6.407 1.00 1.00 H new ATOM 0 HG22 VAL A 36 109.011 -9.033 7.198 1.00 1.00 H new ATOM 0 HG23 VAL A 36 109.178 -8.528 5.500 1.00 1.00 H new ATOM 549 N ILE A 37 106.377 -7.173 7.212 1.00 1.00 N ATOM 550 CA ILE A 37 105.286 -7.921 7.806 1.00 1.00 C ATOM 551 C ILE A 37 105.595 -9.404 7.696 1.00 1.00 C ATOM 552 O ILE A 37 105.363 -10.182 8.622 1.00 1.00 O ATOM 553 CB ILE A 37 103.981 -7.622 7.072 1.00 1.00 C ATOM 554 CG1 ILE A 37 103.832 -6.116 6.811 1.00 1.00 C ATOM 555 CG2 ILE A 37 102.826 -8.111 7.921 1.00 1.00 C ATOM 556 CD1 ILE A 37 103.717 -5.304 8.099 1.00 1.00 C ATOM 0 H ILE A 37 106.150 -6.718 6.328 1.00 1.00 H new ATOM 0 HA ILE A 37 105.176 -7.633 8.852 1.00 1.00 H new ATOM 0 HB ILE A 37 103.986 -8.133 6.109 1.00 1.00 H new ATOM 0 HG12 ILE A 37 104.691 -5.764 6.239 1.00 1.00 H new ATOM 0 HG13 ILE A 37 102.948 -5.943 6.197 1.00 1.00 H new ATOM 0 HG21 ILE A 37 101.886 -7.904 7.410 1.00 1.00 H new ATOM 0 HG22 ILE A 37 102.923 -9.185 8.083 1.00 1.00 H new ATOM 0 HG23 ILE A 37 102.837 -7.596 8.882 1.00 1.00 H new ATOM 0 HD11 ILE A 37 103.614 -4.247 7.855 1.00 1.00 H new ATOM 0 HD12 ILE A 37 102.843 -5.634 8.660 1.00 1.00 H new ATOM 0 HD13 ILE A 37 104.612 -5.451 8.703 1.00 1.00 H new ATOM 563 N ASN A 38 106.116 -9.776 6.533 1.00 1.00 N ATOM 564 CA ASN A 38 106.463 -11.156 6.240 1.00 1.00 C ATOM 565 C ASN A 38 107.727 -11.201 5.396 1.00 1.00 C ATOM 566 O ASN A 38 107.833 -10.498 4.392 1.00 1.00 O ATOM 567 CB ASN A 38 105.327 -11.809 5.460 1.00 1.00 C ATOM 568 CG ASN A 38 104.072 -11.892 6.324 1.00 1.00 C ATOM 569 OD1 ASN A 38 103.825 -12.917 6.961 1.00 1.00 O ATOM 570 ND2 ASN A 38 103.267 -10.868 6.395 1.00 1.00 N ATOM 0 H ASN A 38 106.309 -9.128 5.769 1.00 1.00 H new ATOM 0 HA ASN A 38 106.628 -11.689 7.176 1.00 1.00 H new ATOM 0 HB2 ASN A 38 105.118 -11.234 4.558 1.00 1.00 H new ATOM 0 HB3 ASN A 38 105.623 -12.808 5.140 1.00 1.00 H new ATOM 0 HD21 ASN A 38 102.432 -10.915 6.979 1.00 1.00 H new ATOM 0 HD22 ASN A 38 103.473 -10.020 5.867 1.00 1.00 H new ATOM 577 N SER A 39 108.677 -12.036 5.792 1.00 1.00 N ATOM 578 CA SER A 39 109.919 -12.172 5.041 1.00 1.00 C ATOM 579 C SER A 39 109.773 -13.268 3.994 1.00 1.00 C ATOM 580 O SER A 39 109.363 -14.386 4.307 1.00 1.00 O ATOM 581 CB SER A 39 111.069 -12.516 5.980 1.00 1.00 C ATOM 582 OG SER A 39 111.130 -13.925 6.157 1.00 1.00 O ATOM 0 H SER A 39 108.614 -12.626 6.622 1.00 1.00 H new ATOM 0 HA SER A 39 110.134 -11.224 4.547 1.00 1.00 H new ATOM 0 HB2 SER A 39 112.010 -12.149 5.570 1.00 1.00 H new ATOM 0 HB3 SER A 39 110.927 -12.024 6.942 1.00 1.00 H new ATOM 0 HG SER A 39 110.293 -14.330 5.848 1.00 1.00 H new ATOM 588 N GLY A 40 110.122 -12.946 2.752 1.00 1.00 N ATOM 589 CA GLY A 40 110.040 -13.906 1.653 1.00 1.00 C ATOM 590 C GLY A 40 111.425 -14.158 1.078 1.00 1.00 C ATOM 591 O GLY A 40 111.740 -15.261 0.634 1.00 1.00 O ATOM 0 H GLY A 40 110.465 -12.025 2.480 1.00 1.00 H new ATOM 0 HA2 GLY A 40 109.609 -14.842 2.008 1.00 1.00 H new ATOM 0 HA3 GLY A 40 109.378 -13.525 0.875 1.00 1.00 H new ATOM 595 N ASN A 41 112.246 -13.119 1.104 1.00 1.00 N ATOM 596 CA ASN A 41 113.605 -13.210 0.599 1.00 1.00 C ATOM 597 C ASN A 41 113.610 -13.724 -0.836 1.00 1.00 C ATOM 598 O ASN A 41 114.550 -14.392 -1.266 1.00 1.00 O ATOM 599 CB ASN A 41 114.408 -14.142 1.501 1.00 1.00 C ATOM 600 CG ASN A 41 114.523 -13.516 2.885 1.00 1.00 C ATOM 601 OD1 ASN A 41 115.320 -13.965 3.708 1.00 1.00 O ATOM 602 ND2 ASN A 41 113.758 -12.499 3.195 1.00 1.00 N ATOM 0 H ASN A 41 111.993 -12.201 1.471 1.00 1.00 H new ATOM 0 HA ASN A 41 114.059 -12.219 0.602 1.00 1.00 H new ATOM 0 HB2 ASN A 41 113.920 -15.114 1.567 1.00 1.00 H new ATOM 0 HB3 ASN A 41 115.399 -14.311 1.081 1.00 1.00 H new ATOM 0 HD21 ASN A 41 113.822 -12.077 4.121 1.00 1.00 H new ATOM 0 HD22 ASN A 41 113.099 -12.129 2.510 1.00 1.00 H new ATOM 609 N GLY A 42 112.544 -13.403 -1.572 1.00 1.00 N ATOM 610 CA GLY A 42 112.412 -13.821 -2.958 1.00 1.00 C ATOM 611 C GLY A 42 112.975 -12.788 -3.909 1.00 1.00 C ATOM 612 O GLY A 42 113.724 -11.892 -3.523 1.00 1.00 O ATOM 0 H GLY A 42 111.759 -12.852 -1.224 1.00 1.00 H new ATOM 0 HA2 GLY A 42 112.929 -14.770 -3.103 1.00 1.00 H new ATOM 0 HA3 GLY A 42 111.360 -13.993 -3.188 1.00 1.00 H new ATOM 616 N VAL A 43 112.567 -12.920 -5.156 1.00 1.00 N ATOM 617 CA VAL A 43 112.971 -12.009 -6.201 1.00 1.00 C ATOM 618 C VAL A 43 112.347 -10.649 -5.952 1.00 1.00 C ATOM 619 O VAL A 43 111.651 -10.459 -4.967 1.00 1.00 O ATOM 620 CB VAL A 43 112.573 -12.545 -7.583 1.00 1.00 C ATOM 621 CG1 VAL A 43 113.202 -13.914 -7.784 1.00 1.00 C ATOM 622 CG2 VAL A 43 111.055 -12.663 -7.720 1.00 1.00 C ATOM 0 H VAL A 43 111.945 -13.665 -5.470 1.00 1.00 H new ATOM 0 HA VAL A 43 114.057 -11.914 -6.187 1.00 1.00 H new ATOM 0 HB VAL A 43 112.929 -11.845 -8.339 1.00 1.00 H new ATOM 0 HG11 VAL A 43 112.924 -14.302 -8.764 1.00 1.00 H new ATOM 0 HG12 VAL A 43 114.287 -13.829 -7.722 1.00 1.00 H new ATOM 0 HG13 VAL A 43 112.847 -14.595 -7.010 1.00 1.00 H new ATOM 0 HG21 VAL A 43 110.808 -13.045 -8.710 1.00 1.00 H new ATOM 0 HG22 VAL A 43 110.673 -13.346 -6.961 1.00 1.00 H new ATOM 0 HG23 VAL A 43 110.600 -11.682 -7.586 1.00 1.00 H new ATOM 626 N LYS A 44 112.595 -9.732 -6.864 1.00 1.00 N ATOM 627 CA LYS A 44 112.065 -8.369 -6.788 1.00 1.00 C ATOM 628 C LYS A 44 112.639 -7.546 -7.946 1.00 1.00 C ATOM 629 O LYS A 44 113.671 -7.901 -8.515 1.00 1.00 O ATOM 630 CB LYS A 44 112.372 -7.687 -5.419 1.00 1.00 C ATOM 631 CG LYS A 44 113.859 -7.269 -5.257 1.00 1.00 C ATOM 632 CD LYS A 44 114.674 -8.393 -4.571 1.00 1.00 C ATOM 633 CE LYS A 44 114.685 -8.209 -3.046 1.00 1.00 C ATOM 634 NZ LYS A 44 115.109 -9.484 -2.413 1.00 1.00 N ATOM 0 H LYS A 44 113.172 -9.903 -7.687 1.00 1.00 H new ATOM 0 HA LYS A 44 110.979 -8.420 -6.869 1.00 1.00 H new ATOM 0 HB2 LYS A 44 111.741 -6.805 -5.311 1.00 1.00 H new ATOM 0 HB3 LYS A 44 112.105 -8.371 -4.613 1.00 1.00 H new ATOM 0 HG2 LYS A 44 114.288 -7.047 -6.234 1.00 1.00 H new ATOM 0 HG3 LYS A 44 113.922 -6.355 -4.666 1.00 1.00 H new ATOM 0 HD2 LYS A 44 114.245 -9.363 -4.821 1.00 1.00 H new ATOM 0 HD3 LYS A 44 115.696 -8.389 -4.949 1.00 1.00 H new ATOM 0 HE2 LYS A 44 115.366 -7.405 -2.768 1.00 1.00 H new ATOM 0 HE3 LYS A 44 113.694 -7.924 -2.693 1.00 1.00 H new ATOM 0 HZ1 LYS A 44 115.235 -9.339 -1.391 1.00 1.00 H new ATOM 0 HZ2 LYS A 44 114.381 -10.210 -2.573 1.00 1.00 H new ATOM 0 HZ3 LYS A 44 116.008 -9.797 -2.832 1.00 1.00 H new ATOM 648 N PRO A 45 111.939 -6.512 -8.360 1.00 1.00 N ATOM 649 CA PRO A 45 112.325 -5.684 -9.544 1.00 1.00 C ATOM 650 C PRO A 45 113.262 -4.519 -9.271 1.00 1.00 C ATOM 651 O PRO A 45 113.338 -4.011 -8.163 1.00 1.00 O ATOM 652 CB PRO A 45 110.970 -5.166 -10.039 1.00 1.00 C ATOM 653 CG PRO A 45 110.090 -5.095 -8.824 1.00 1.00 C ATOM 654 CD PRO A 45 110.702 -5.992 -7.741 1.00 1.00 C ATOM 0 HA PRO A 45 112.898 -6.284 -10.251 1.00 1.00 H new ATOM 0 HB2 PRO A 45 111.073 -4.186 -10.505 1.00 1.00 H new ATOM 0 HB3 PRO A 45 110.547 -5.833 -10.790 1.00 1.00 H new ATOM 0 HG2 PRO A 45 110.013 -4.067 -8.469 1.00 1.00 H new ATOM 0 HG3 PRO A 45 109.080 -5.425 -9.066 1.00 1.00 H new ATOM 0 HD2 PRO A 45 110.917 -5.430 -6.832 1.00 1.00 H new ATOM 0 HD3 PRO A 45 110.025 -6.800 -7.463 1.00 1.00 H new ATOM 662 N GLY A 46 113.907 -4.061 -10.344 1.00 1.00 N ATOM 663 CA GLY A 46 114.771 -2.898 -10.280 1.00 1.00 C ATOM 664 C GLY A 46 113.937 -1.676 -10.589 1.00 1.00 C ATOM 665 O GLY A 46 112.770 -1.776 -10.967 1.00 1.00 O ATOM 0 H GLY A 46 113.842 -4.485 -11.269 1.00 1.00 H new ATOM 0 HA2 GLY A 46 115.221 -2.812 -9.291 1.00 1.00 H new ATOM 0 HA3 GLY A 46 115.589 -2.991 -10.995 1.00 1.00 H new ATOM 669 N LYS A 47 114.556 -0.539 -10.453 1.00 1.00 N ATOM 670 CA LYS A 47 113.913 0.723 -10.738 1.00 1.00 C ATOM 671 C LYS A 47 113.226 0.702 -12.088 1.00 1.00 C ATOM 672 O LYS A 47 112.294 1.468 -12.322 1.00 1.00 O ATOM 673 CB LYS A 47 114.962 1.842 -10.720 1.00 1.00 C ATOM 674 CG LYS A 47 115.972 1.664 -11.878 1.00 1.00 C ATOM 675 CD LYS A 47 116.683 0.307 -11.759 1.00 1.00 C ATOM 676 CE LYS A 47 117.916 0.267 -12.629 1.00 1.00 C ATOM 677 NZ LYS A 47 118.943 1.200 -12.084 1.00 1.00 N ATOM 0 H LYS A 47 115.523 -0.455 -10.141 1.00 1.00 H new ATOM 0 HA LYS A 47 113.156 0.900 -9.974 1.00 1.00 H new ATOM 0 HB2 LYS A 47 114.469 2.810 -10.806 1.00 1.00 H new ATOM 0 HB3 LYS A 47 115.490 1.837 -9.766 1.00 1.00 H new ATOM 0 HG2 LYS A 47 115.454 1.729 -12.835 1.00 1.00 H new ATOM 0 HG3 LYS A 47 116.706 2.470 -11.857 1.00 1.00 H new ATOM 0 HD2 LYS A 47 116.960 0.127 -10.720 1.00 1.00 H new ATOM 0 HD3 LYS A 47 116.001 -0.492 -12.050 1.00 1.00 H new ATOM 0 HE2 LYS A 47 118.314 -0.747 -12.666 1.00 1.00 H new ATOM 0 HE3 LYS A 47 117.661 0.547 -13.651 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 119.889 0.888 -12.383 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 118.765 2.160 -12.443 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 118.892 1.204 -11.045 1.00 1.00 H new ATOM 691 N SER A 48 113.711 -0.146 -12.992 1.00 1.00 N ATOM 692 CA SER A 48 113.148 -0.204 -14.347 1.00 1.00 C ATOM 693 C SER A 48 112.311 -1.456 -14.607 1.00 1.00 C ATOM 694 O SER A 48 111.634 -1.539 -15.633 1.00 1.00 O ATOM 695 CB SER A 48 114.290 -0.127 -15.362 1.00 1.00 C ATOM 696 OG SER A 48 114.709 1.226 -15.482 1.00 1.00 O ATOM 0 H SER A 48 114.480 -0.794 -12.820 1.00 1.00 H new ATOM 0 HA SER A 48 112.471 0.644 -14.451 1.00 1.00 H new ATOM 0 HB2 SER A 48 115.123 -0.752 -15.040 1.00 1.00 H new ATOM 0 HB3 SER A 48 113.961 -0.507 -16.329 1.00 1.00 H new ATOM 0 HG SER A 48 115.442 1.285 -16.129 1.00 1.00 H new ATOM 702 N ASP A 49 112.329 -2.420 -13.697 1.00 1.00 N ATOM 703 CA ASP A 49 111.522 -3.634 -13.904 1.00 1.00 C ATOM 704 C ASP A 49 110.104 -3.372 -13.426 1.00 1.00 C ATOM 705 O ASP A 49 109.861 -2.387 -12.730 1.00 1.00 O ATOM 706 CB ASP A 49 112.117 -4.823 -13.162 1.00 1.00 C ATOM 707 CG ASP A 49 113.397 -5.287 -13.850 1.00 1.00 C ATOM 708 OD1 ASP A 49 113.661 -4.820 -14.946 1.00 1.00 O ATOM 709 OD2 ASP A 49 114.093 -6.106 -13.273 1.00 1.00 O ATOM 0 H ASP A 49 112.871 -2.398 -12.833 1.00 1.00 H new ATOM 0 HA ASP A 49 111.516 -3.878 -14.966 1.00 1.00 H new ATOM 0 HB2 ASP A 49 112.330 -4.547 -12.129 1.00 1.00 H new ATOM 0 HB3 ASP A 49 111.396 -5.640 -13.131 1.00 1.00 H new ATOM 714 N THR A 50 109.163 -4.246 -13.793 1.00 1.00 N ATOM 715 CA THR A 50 107.768 -4.066 -13.374 1.00 1.00 C ATOM 716 C THR A 50 107.441 -5.019 -12.245 1.00 1.00 C ATOM 717 O THR A 50 108.062 -6.070 -12.098 1.00 1.00 O ATOM 718 CB THR A 50 106.799 -4.238 -14.549 1.00 1.00 C ATOM 719 OG1 THR A 50 107.274 -3.520 -15.677 1.00 1.00 O ATOM 720 CG2 THR A 50 105.420 -3.719 -14.165 1.00 1.00 C ATOM 0 H THR A 50 109.335 -5.071 -14.368 1.00 1.00 H new ATOM 0 HA THR A 50 107.647 -3.045 -13.013 1.00 1.00 H new ATOM 0 HB THR A 50 106.731 -5.297 -14.796 1.00 1.00 H new ATOM 0 HG1 THR A 50 106.651 -3.636 -16.425 1.00 1.00 H new ATOM 0 HG21 THR A 50 104.737 -3.845 -15.005 1.00 1.00 H new ATOM 0 HG22 THR A 50 105.047 -4.278 -13.307 1.00 1.00 H new ATOM 0 HG23 THR A 50 105.488 -2.662 -13.907 1.00 1.00 H new ATOM 728 N VAL A 51 106.494 -4.606 -11.410 1.00 1.00 N ATOM 729 CA VAL A 51 106.118 -5.386 -10.236 1.00 1.00 C ATOM 730 C VAL A 51 104.620 -5.592 -10.144 1.00 1.00 C ATOM 731 O VAL A 51 103.852 -4.851 -10.740 1.00 1.00 O ATOM 732 CB VAL A 51 106.608 -4.648 -8.984 1.00 1.00 C ATOM 733 CG1 VAL A 51 105.718 -3.453 -8.632 1.00 1.00 C ATOM 734 CG2 VAL A 51 106.668 -5.625 -7.818 1.00 1.00 C ATOM 0 H VAL A 51 105.973 -3.737 -11.524 1.00 1.00 H new ATOM 0 HA VAL A 51 106.579 -6.371 -10.317 1.00 1.00 H new ATOM 0 HB VAL A 51 107.602 -4.253 -9.191 1.00 1.00 H new ATOM 0 HG11 VAL A 51 106.105 -2.962 -7.739 1.00 1.00 H new ATOM 0 HG12 VAL A 51 105.713 -2.746 -9.462 1.00 1.00 H new ATOM 0 HG13 VAL A 51 104.702 -3.799 -8.445 1.00 1.00 H new ATOM 0 HG21 VAL A 51 107.016 -5.105 -6.925 1.00 1.00 H new ATOM 0 HG22 VAL A 51 105.675 -6.035 -7.635 1.00 1.00 H new ATOM 0 HG23 VAL A 51 107.357 -6.435 -8.057 1.00 1.00 H new ATOM 738 N THR A 52 104.211 -6.584 -9.344 1.00 1.00 N ATOM 739 CA THR A 52 102.791 -6.850 -9.126 1.00 1.00 C ATOM 740 C THR A 52 102.546 -7.001 -7.623 1.00 1.00 C ATOM 741 O THR A 52 103.126 -7.882 -6.990 1.00 1.00 O ATOM 742 CB THR A 52 102.421 -8.135 -9.859 1.00 1.00 C ATOM 743 OG1 THR A 52 102.651 -7.965 -11.249 1.00 1.00 O ATOM 744 CG2 THR A 52 100.961 -8.477 -9.620 1.00 1.00 C ATOM 0 H THR A 52 104.841 -7.210 -8.842 1.00 1.00 H new ATOM 0 HA THR A 52 102.178 -6.032 -9.505 1.00 1.00 H new ATOM 0 HB THR A 52 103.037 -8.951 -9.481 1.00 1.00 H new ATOM 0 HG1 THR A 52 103.041 -8.784 -11.619 1.00 1.00 H new ATOM 0 HG21 THR A 52 100.711 -9.397 -10.149 1.00 1.00 H new ATOM 0 HG22 THR A 52 100.790 -8.615 -8.552 1.00 1.00 H new ATOM 0 HG23 THR A 52 100.332 -7.665 -9.986 1.00 1.00 H new ATOM 752 N VAL A 53 101.718 -6.119 -7.039 1.00 1.00 N ATOM 753 CA VAL A 53 101.475 -6.165 -5.589 1.00 1.00 C ATOM 754 C VAL A 53 100.055 -5.709 -5.205 1.00 1.00 C ATOM 755 O VAL A 53 99.377 -5.048 -5.994 1.00 1.00 O ATOM 756 CB VAL A 53 102.503 -5.236 -4.908 1.00 1.00 C ATOM 757 CG1 VAL A 53 103.881 -5.409 -5.534 1.00 1.00 C ATOM 758 CG2 VAL A 53 102.137 -3.781 -5.088 1.00 1.00 C ATOM 0 H VAL A 53 101.217 -5.382 -7.535 1.00 1.00 H new ATOM 0 HA VAL A 53 101.576 -7.199 -5.260 1.00 1.00 H new ATOM 0 HB VAL A 53 102.507 -5.505 -3.852 1.00 1.00 H new ATOM 0 HG11 VAL A 53 104.591 -4.746 -5.040 1.00 1.00 H new ATOM 0 HG12 VAL A 53 104.207 -6.442 -5.416 1.00 1.00 H new ATOM 0 HG13 VAL A 53 103.832 -5.163 -6.595 1.00 1.00 H new ATOM 0 HG21 VAL A 53 102.882 -3.155 -4.596 1.00 1.00 H new ATOM 0 HG22 VAL A 53 102.107 -3.542 -6.151 1.00 1.00 H new ATOM 0 HG23 VAL A 53 101.158 -3.595 -4.647 1.00 1.00 H new ATOM 762 N GLU A 54 99.662 -5.976 -3.941 1.00 1.00 N ATOM 763 CA GLU A 54 98.361 -5.502 -3.411 1.00 1.00 C ATOM 764 C GLU A 54 98.673 -4.541 -2.256 1.00 1.00 C ATOM 765 O GLU A 54 99.753 -4.635 -1.674 1.00 1.00 O ATOM 766 CB GLU A 54 97.470 -6.635 -2.855 1.00 1.00 C ATOM 767 CG GLU A 54 97.462 -7.884 -3.760 1.00 1.00 C ATOM 768 CD GLU A 54 97.241 -9.162 -2.941 1.00 1.00 C ATOM 769 OE1 GLU A 54 97.032 -9.058 -1.743 1.00 1.00 O ATOM 770 OE2 GLU A 54 97.280 -10.229 -3.532 1.00 1.00 O ATOM 0 H GLU A 54 100.218 -6.511 -3.274 1.00 1.00 H new ATOM 0 HA GLU A 54 97.813 -5.038 -4.231 1.00 1.00 H new ATOM 0 HB2 GLU A 54 97.821 -6.913 -1.861 1.00 1.00 H new ATOM 0 HB3 GLU A 54 96.450 -6.267 -2.741 1.00 1.00 H new ATOM 0 HG2 GLU A 54 96.676 -7.788 -4.509 1.00 1.00 H new ATOM 0 HG3 GLU A 54 98.408 -7.953 -4.298 1.00 1.00 H new ATOM 777 N TYR A 55 97.786 -3.584 -1.936 1.00 1.00 N ATOM 778 CA TYR A 55 98.129 -2.643 -0.874 1.00 1.00 C ATOM 779 C TYR A 55 96.950 -1.828 -0.331 1.00 1.00 C ATOM 780 O TYR A 55 95.925 -1.668 -0.990 1.00 1.00 O ATOM 781 CB TYR A 55 99.110 -1.659 -1.485 1.00 1.00 C ATOM 782 CG TYR A 55 98.443 -1.099 -2.728 1.00 1.00 C ATOM 783 CD1 TYR A 55 97.639 0.048 -2.657 1.00 1.00 C ATOM 784 CD2 TYR A 55 98.596 -1.751 -3.947 1.00 1.00 C ATOM 785 CE1 TYR A 55 96.998 0.536 -3.803 1.00 1.00 C ATOM 786 CE2 TYR A 55 97.962 -1.264 -5.093 1.00 1.00 C ATOM 787 CZ TYR A 55 97.163 -0.121 -5.024 1.00 1.00 C ATOM 788 OH TYR A 55 96.535 0.352 -6.158 1.00 1.00 O ATOM 0 H TYR A 55 96.875 -3.449 -2.374 1.00 1.00 H new ATOM 0 HA TYR A 55 98.516 -3.222 -0.035 1.00 1.00 H new ATOM 0 HB2 TYR A 55 99.349 -0.862 -0.781 1.00 1.00 H new ATOM 0 HB3 TYR A 55 100.048 -2.153 -1.738 1.00 1.00 H new ATOM 0 HD1 TYR A 55 97.513 0.558 -1.713 1.00 1.00 H new ATOM 0 HD2 TYR A 55 99.208 -2.639 -4.008 1.00 1.00 H new ATOM 0 HE1 TYR A 55 96.378 1.418 -3.742 1.00 1.00 H new ATOM 0 HE2 TYR A 55 98.091 -1.774 -6.036 1.00 1.00 H new ATOM 0 HH TYR A 55 96.758 -0.223 -6.920 1.00 1.00 H new ATOM 798 N THR A 56 97.170 -1.227 0.852 1.00 1.00 N ATOM 799 CA THR A 56 96.190 -0.317 1.465 1.00 1.00 C ATOM 800 C THR A 56 96.896 0.989 1.773 1.00 1.00 C ATOM 801 O THR A 56 97.953 0.993 2.382 1.00 1.00 O ATOM 802 CB THR A 56 95.504 -0.900 2.718 1.00 1.00 C ATOM 803 OG1 THR A 56 94.431 -1.732 2.317 1.00 1.00 O ATOM 804 CG2 THR A 56 94.931 0.218 3.605 1.00 1.00 C ATOM 0 H THR A 56 98.019 -1.356 1.402 1.00 1.00 H new ATOM 0 HA THR A 56 95.377 -0.157 0.757 1.00 1.00 H new ATOM 0 HB THR A 56 96.249 -1.462 3.281 1.00 1.00 H new ATOM 0 HG1 THR A 56 94.284 -2.426 2.994 1.00 1.00 H new ATOM 0 HG21 THR A 56 94.453 -0.221 4.481 1.00 1.00 H new ATOM 0 HG22 THR A 56 95.737 0.878 3.924 1.00 1.00 H new ATOM 0 HG23 THR A 56 94.196 0.790 3.039 1.00 1.00 H new ATOM 812 N GLY A 57 96.318 2.104 1.339 1.00 1.00 N ATOM 813 CA GLY A 57 96.944 3.413 1.572 1.00 1.00 C ATOM 814 C GLY A 57 96.087 4.296 2.456 1.00 1.00 C ATOM 815 O GLY A 57 94.875 4.383 2.270 1.00 1.00 O ATOM 0 H GLY A 57 95.433 2.136 0.832 1.00 1.00 H new ATOM 0 HA2 GLY A 57 97.920 3.272 2.036 1.00 1.00 H new ATOM 0 HA3 GLY A 57 97.114 3.910 0.617 1.00 1.00 H new ATOM 819 N ARG A 58 96.715 4.963 3.429 1.00 1.00 N ATOM 820 CA ARG A 58 95.964 5.834 4.321 1.00 1.00 C ATOM 821 C ARG A 58 96.764 7.052 4.761 1.00 1.00 C ATOM 822 O ARG A 58 97.983 7.119 4.611 1.00 1.00 O ATOM 823 CB ARG A 58 95.477 5.054 5.553 1.00 1.00 C ATOM 824 CG ARG A 58 96.606 4.899 6.600 1.00 1.00 C ATOM 825 CD ARG A 58 96.065 4.282 7.888 1.00 1.00 C ATOM 826 NE ARG A 58 96.016 2.829 7.774 1.00 1.00 N ATOM 827 CZ ARG A 58 95.676 2.073 8.813 1.00 1.00 C ATOM 828 NH1 ARG A 58 95.433 2.628 9.968 1.00 1.00 N ATOM 829 NH2 ARG A 58 95.602 0.776 8.685 1.00 1.00 N ATOM 0 H ARG A 58 97.717 4.916 3.612 1.00 1.00 H new ATOM 0 HA ARG A 58 95.106 6.196 3.755 1.00 1.00 H new ATOM 0 HB2 ARG A 58 94.629 5.571 6.002 1.00 1.00 H new ATOM 0 HB3 ARG A 58 95.124 4.069 5.247 1.00 1.00 H new ATOM 0 HG2 ARG A 58 97.400 4.272 6.196 1.00 1.00 H new ATOM 0 HG3 ARG A 58 97.047 5.873 6.814 1.00 1.00 H new ATOM 0 HD2 ARG A 58 96.698 4.566 8.729 1.00 1.00 H new ATOM 0 HD3 ARG A 58 95.068 4.671 8.094 1.00 1.00 H new ATOM 0 HE ARG A 58 96.246 2.387 6.884 1.00 1.00 H new ATOM 0 HH11 ARG A 58 95.504 3.640 10.072 1.00 1.00 H new ATOM 0 HH12 ARG A 58 95.172 2.050 10.767 1.00 1.00 H new ATOM 0 HH21 ARG A 58 95.805 0.340 7.786 1.00 1.00 H new ATOM 0 HH22 ARG A 58 95.341 0.199 9.484 1.00 1.00 H new ATOM 843 N LEU A 59 96.038 7.993 5.343 1.00 1.00 N ATOM 844 CA LEU A 59 96.624 9.215 5.871 1.00 1.00 C ATOM 845 C LEU A 59 97.209 8.961 7.258 1.00 1.00 C ATOM 846 O LEU A 59 96.876 7.982 7.925 1.00 1.00 O ATOM 847 CB LEU A 59 95.531 10.302 5.987 1.00 1.00 C ATOM 848 CG LEU A 59 95.588 11.307 4.823 1.00 1.00 C ATOM 849 CD1 LEU A 59 94.965 10.703 3.579 1.00 1.00 C ATOM 850 CD2 LEU A 59 94.824 12.590 5.181 1.00 1.00 C ATOM 0 H LEU A 59 95.027 7.932 5.463 1.00 1.00 H new ATOM 0 HA LEU A 59 97.414 9.545 5.196 1.00 1.00 H new ATOM 0 HB2 LEU A 59 94.550 9.828 6.008 1.00 1.00 H new ATOM 0 HB3 LEU A 59 95.648 10.834 6.931 1.00 1.00 H new ATOM 0 HG LEU A 59 96.635 11.546 4.635 1.00 1.00 H new ATOM 0 HD11 LEU A 59 95.011 11.424 2.762 1.00 1.00 H new ATOM 0 HD12 LEU A 59 95.511 9.802 3.299 1.00 1.00 H new ATOM 0 HD13 LEU A 59 93.924 10.449 3.780 1.00 1.00 H new ATOM 0 HD21 LEU A 59 94.875 13.289 4.346 1.00 1.00 H new ATOM 0 HD22 LEU A 59 93.782 12.347 5.388 1.00 1.00 H new ATOM 0 HD23 LEU A 59 95.272 13.046 6.064 1.00 1.00 H new ATOM 862 N ILE A 60 98.046 9.885 7.686 1.00 1.00 N ATOM 863 CA ILE A 60 98.655 9.821 9.005 1.00 1.00 C ATOM 864 C ILE A 60 97.575 9.835 10.070 1.00 1.00 C ATOM 865 O ILE A 60 97.774 9.416 11.209 1.00 1.00 O ATOM 866 CB ILE A 60 99.582 11.034 9.227 1.00 1.00 C ATOM 867 CG1 ILE A 60 98.803 12.359 9.453 1.00 1.00 C ATOM 868 CG2 ILE A 60 100.519 11.208 8.030 1.00 1.00 C ATOM 869 CD1 ILE A 60 98.054 12.800 8.203 1.00 1.00 C ATOM 0 H ILE A 60 98.324 10.698 7.135 1.00 1.00 H new ATOM 0 HA ILE A 60 99.236 8.901 9.072 1.00 1.00 H new ATOM 0 HB ILE A 60 100.151 10.825 10.133 1.00 1.00 H new ATOM 0 HG12 ILE A 60 98.096 12.229 10.272 1.00 1.00 H new ATOM 0 HG13 ILE A 60 99.499 13.142 9.754 1.00 1.00 H new ATOM 0 HG21 ILE A 60 101.168 12.067 8.198 1.00 1.00 H new ATOM 0 HG22 ILE A 60 101.127 10.311 7.911 1.00 1.00 H new ATOM 0 HG23 ILE A 60 99.930 11.370 7.127 1.00 1.00 H new ATOM 0 HD11 ILE A 60 97.523 13.730 8.406 1.00 1.00 H new ATOM 0 HD12 ILE A 60 98.763 12.957 7.390 1.00 1.00 H new ATOM 0 HD13 ILE A 60 97.338 12.029 7.917 1.00 1.00 H new ATOM 876 N ASP A 61 96.448 10.387 9.672 1.00 1.00 N ATOM 877 CA ASP A 61 95.296 10.559 10.551 1.00 1.00 C ATOM 878 C ASP A 61 94.289 9.428 10.391 1.00 1.00 C ATOM 879 O ASP A 61 93.227 9.443 11.012 1.00 1.00 O ATOM 880 CB ASP A 61 94.638 11.899 10.236 1.00 1.00 C ATOM 881 CG ASP A 61 93.640 12.268 11.329 1.00 1.00 C ATOM 882 OD1 ASP A 61 94.080 12.613 12.413 1.00 1.00 O ATOM 883 OD2 ASP A 61 92.450 12.203 11.065 1.00 1.00 O ATOM 0 H ASP A 61 96.298 10.733 8.724 1.00 1.00 H new ATOM 0 HA ASP A 61 95.639 10.539 11.585 1.00 1.00 H new ATOM 0 HB2 ASP A 61 95.399 12.675 10.152 1.00 1.00 H new ATOM 0 HB3 ASP A 61 94.130 11.845 9.273 1.00 1.00 H new ATOM 888 N GLY A 62 94.631 8.432 9.581 1.00 1.00 N ATOM 889 CA GLY A 62 93.746 7.285 9.391 1.00 1.00 C ATOM 890 C GLY A 62 92.775 7.458 8.228 1.00 1.00 C ATOM 891 O GLY A 62 92.021 6.536 7.918 1.00 1.00 O ATOM 0 H GLY A 62 95.502 8.393 9.051 1.00 1.00 H new ATOM 0 HA2 GLY A 62 94.350 6.393 9.222 1.00 1.00 H new ATOM 0 HA3 GLY A 62 93.179 7.117 10.307 1.00 1.00 H new ATOM 895 N THR A 63 92.785 8.612 7.570 1.00 1.00 N ATOM 896 CA THR A 63 91.875 8.795 6.443 1.00 1.00 C ATOM 897 C THR A 63 92.364 7.973 5.259 1.00 1.00 C ATOM 898 O THR A 63 93.407 8.261 4.674 1.00 1.00 O ATOM 899 CB THR A 63 91.776 10.265 6.037 1.00 1.00 C ATOM 900 OG1 THR A 63 91.581 11.078 7.186 1.00 1.00 O ATOM 901 CG2 THR A 63 90.599 10.444 5.083 1.00 1.00 C ATOM 0 H THR A 63 93.387 9.407 7.784 1.00 1.00 H new ATOM 0 HA THR A 63 90.884 8.461 6.749 1.00 1.00 H new ATOM 0 HB THR A 63 92.701 10.564 5.545 1.00 1.00 H new ATOM 0 HG1 THR A 63 91.521 12.018 6.915 1.00 1.00 H new ATOM 0 HG21 THR A 63 90.524 11.491 4.790 1.00 1.00 H new ATOM 0 HG22 THR A 63 90.753 9.829 4.196 1.00 1.00 H new ATOM 0 HG23 THR A 63 89.678 10.139 5.580 1.00 1.00 H new ATOM 909 N VAL A 64 91.605 6.939 4.920 1.00 1.00 N ATOM 910 CA VAL A 64 91.973 6.065 3.811 1.00 1.00 C ATOM 911 C VAL A 64 91.643 6.703 2.480 1.00 1.00 C ATOM 912 O VAL A 64 90.492 7.032 2.191 1.00 1.00 O ATOM 913 CB VAL A 64 91.289 4.708 3.963 1.00 1.00 C ATOM 914 CG1 VAL A 64 91.694 3.762 2.833 1.00 1.00 C ATOM 915 CG2 VAL A 64 91.706 4.104 5.292 1.00 1.00 C ATOM 0 H VAL A 64 90.737 6.685 5.392 1.00 1.00 H new ATOM 0 HA VAL A 64 93.052 5.910 3.835 1.00 1.00 H new ATOM 0 HB VAL A 64 90.209 4.848 3.923 1.00 1.00 H new ATOM 0 HG11 VAL A 64 91.193 2.803 2.965 1.00 1.00 H new ATOM 0 HG12 VAL A 64 91.404 4.194 1.875 1.00 1.00 H new ATOM 0 HG13 VAL A 64 92.774 3.613 2.852 1.00 1.00 H new ATOM 0 HG21 VAL A 64 91.226 3.133 5.417 1.00 1.00 H new ATOM 0 HG22 VAL A 64 92.789 3.979 5.311 1.00 1.00 H new ATOM 0 HG23 VAL A 64 91.403 4.766 6.103 1.00 1.00 H new ATOM 919 N PHE A 65 92.688 6.885 1.670 1.00 1.00 N ATOM 920 CA PHE A 65 92.539 7.503 0.351 1.00 1.00 C ATOM 921 C PHE A 65 92.712 6.487 -0.766 1.00 1.00 C ATOM 922 O PHE A 65 92.430 6.772 -1.930 1.00 1.00 O ATOM 923 CB PHE A 65 93.532 8.644 0.202 1.00 1.00 C ATOM 924 CG PHE A 65 94.943 8.148 0.004 1.00 1.00 C ATOM 925 CD1 PHE A 65 95.680 7.690 1.097 1.00 1.00 C ATOM 926 CD2 PHE A 65 95.541 8.221 -1.259 1.00 1.00 C ATOM 927 CE1 PHE A 65 97.014 7.307 0.931 1.00 1.00 C ATOM 928 CE2 PHE A 65 96.876 7.828 -1.428 1.00 1.00 C ATOM 929 CZ PHE A 65 97.607 7.376 -0.328 1.00 1.00 C ATOM 0 H PHE A 65 93.643 6.614 1.903 1.00 1.00 H new ATOM 0 HA PHE A 65 91.527 7.899 0.272 1.00 1.00 H new ATOM 0 HB2 PHE A 65 93.245 9.265 -0.646 1.00 1.00 H new ATOM 0 HB3 PHE A 65 93.492 9.277 1.089 1.00 1.00 H new ATOM 0 HD1 PHE A 65 95.219 7.631 2.072 1.00 1.00 H new ATOM 0 HD2 PHE A 65 94.973 8.581 -2.105 1.00 1.00 H new ATOM 0 HE1 PHE A 65 97.585 6.958 1.779 1.00 1.00 H new ATOM 0 HE2 PHE A 65 97.336 7.875 -2.404 1.00 1.00 H new ATOM 0 HZ PHE A 65 98.638 7.078 -0.453 1.00 1.00 H new ATOM 939 N ASP A 66 93.158 5.296 -0.402 1.00 1.00 N ATOM 940 CA ASP A 66 93.339 4.227 -1.380 1.00 1.00 C ATOM 941 C ASP A 66 93.415 2.877 -0.695 1.00 1.00 C ATOM 942 O ASP A 66 93.896 2.763 0.431 1.00 1.00 O ATOM 943 CB ASP A 66 94.607 4.446 -2.220 1.00 1.00 C ATOM 944 CG ASP A 66 95.768 4.912 -1.345 1.00 1.00 C ATOM 945 OD1 ASP A 66 95.511 5.447 -0.281 1.00 1.00 O ATOM 946 OD2 ASP A 66 96.901 4.728 -1.756 1.00 1.00 O ATOM 0 H ASP A 66 93.401 5.042 0.556 1.00 1.00 H new ATOM 0 HA ASP A 66 92.474 4.245 -2.042 1.00 1.00 H new ATOM 0 HB2 ASP A 66 94.877 3.519 -2.726 1.00 1.00 H new ATOM 0 HB3 ASP A 66 94.411 5.187 -2.995 1.00 1.00 H new ATOM 951 N SER A 67 92.953 1.850 -1.398 1.00 1.00 N ATOM 952 CA SER A 67 92.990 0.502 -0.865 1.00 1.00 C ATOM 953 C SER A 67 92.977 -0.527 -1.980 1.00 1.00 C ATOM 954 O SER A 67 92.423 -0.295 -3.053 1.00 1.00 O ATOM 955 CB SER A 67 91.826 0.284 0.092 1.00 1.00 C ATOM 956 OG SER A 67 90.609 0.225 -0.641 1.00 1.00 O ATOM 0 H SER A 67 92.551 1.928 -2.332 1.00 1.00 H new ATOM 0 HA SER A 67 93.921 0.376 -0.312 1.00 1.00 H new ATOM 0 HB2 SER A 67 91.970 -0.640 0.651 1.00 1.00 H new ATOM 0 HB3 SER A 67 91.784 1.094 0.820 1.00 1.00 H new ATOM 0 HG SER A 67 89.862 0.083 -0.023 1.00 1.00 H new ATOM 962 N THR A 68 93.613 -1.665 -1.719 1.00 1.00 N ATOM 963 CA THR A 68 93.688 -2.728 -2.717 1.00 1.00 C ATOM 964 C THR A 68 93.909 -4.081 -2.056 1.00 1.00 C ATOM 965 O THR A 68 93.297 -5.073 -2.440 1.00 1.00 O ATOM 966 CB THR A 68 94.836 -2.448 -3.690 1.00 1.00 C ATOM 967 OG1 THR A 68 94.685 -1.156 -4.260 1.00 1.00 O ATOM 968 CG2 THR A 68 94.843 -3.498 -4.795 1.00 1.00 C ATOM 0 H THR A 68 94.079 -1.874 -0.836 1.00 1.00 H new ATOM 0 HA THR A 68 92.742 -2.753 -3.258 1.00 1.00 H new ATOM 0 HB THR A 68 95.780 -2.490 -3.146 1.00 1.00 H new ATOM 0 HG1 THR A 68 95.400 -0.570 -3.935 1.00 1.00 H new ATOM 0 HG21 THR A 68 95.662 -3.295 -5.485 1.00 1.00 H new ATOM 0 HG22 THR A 68 94.975 -4.487 -4.356 1.00 1.00 H new ATOM 0 HG23 THR A 68 93.897 -3.464 -5.335 1.00 1.00 H new ATOM 976 N GLU A 69 94.777 -4.121 -1.061 1.00 1.00 N ATOM 977 CA GLU A 69 95.047 -5.369 -0.368 1.00 1.00 C ATOM 978 C GLU A 69 93.791 -5.854 0.318 1.00 1.00 C ATOM 979 O GLU A 69 93.597 -7.057 0.503 1.00 1.00 O ATOM 980 CB GLU A 69 96.202 -5.214 0.602 1.00 1.00 C ATOM 981 CG GLU A 69 95.899 -4.143 1.630 1.00 1.00 C ATOM 982 CD GLU A 69 95.011 -4.691 2.747 1.00 1.00 C ATOM 983 OE1 GLU A 69 94.731 -5.878 2.729 1.00 1.00 O ATOM 984 OE2 GLU A 69 94.632 -3.917 3.609 1.00 1.00 O ATOM 0 H GLU A 69 95.301 -3.316 -0.718 1.00 1.00 H new ATOM 0 HA GLU A 69 95.348 -6.124 -1.095 1.00 1.00 H new ATOM 0 HB2 GLU A 69 96.392 -6.163 1.104 1.00 1.00 H new ATOM 0 HB3 GLU A 69 97.109 -4.955 0.056 1.00 1.00 H new ATOM 0 HG2 GLU A 69 96.830 -3.766 2.053 1.00 1.00 H new ATOM 0 HG3 GLU A 69 95.404 -3.300 1.147 1.00 1.00 H new ATOM 991 N LYS A 70 92.913 -4.920 0.663 1.00 1.00 N ATOM 992 CA LYS A 70 91.664 -5.293 1.291 1.00 1.00 C ATOM 993 C LYS A 70 90.982 -6.308 0.394 1.00 1.00 C ATOM 994 O LYS A 70 90.480 -7.337 0.844 1.00 1.00 O ATOM 995 CB LYS A 70 90.774 -4.064 1.449 1.00 1.00 C ATOM 996 CG LYS A 70 91.449 -3.073 2.386 1.00 1.00 C ATOM 997 CD LYS A 70 91.444 -3.604 3.832 1.00 1.00 C ATOM 998 CE LYS A 70 91.691 -2.462 4.837 1.00 1.00 C ATOM 999 NZ LYS A 70 90.426 -2.169 5.567 1.00 1.00 N ATOM 0 H LYS A 70 93.044 -3.919 0.520 1.00 1.00 H new ATOM 0 HA LYS A 70 91.846 -5.715 2.279 1.00 1.00 H new ATOM 0 HB2 LYS A 70 90.597 -3.602 0.478 1.00 1.00 H new ATOM 0 HB3 LYS A 70 89.801 -4.354 1.846 1.00 1.00 H new ATOM 0 HG2 LYS A 70 92.474 -2.897 2.061 1.00 1.00 H new ATOM 0 HG3 LYS A 70 90.933 -2.114 2.343 1.00 1.00 H new ATOM 0 HD2 LYS A 70 90.488 -4.081 4.045 1.00 1.00 H new ATOM 0 HD3 LYS A 70 92.214 -4.367 3.946 1.00 1.00 H new ATOM 0 HE2 LYS A 70 92.474 -2.744 5.541 1.00 1.00 H new ATOM 0 HE3 LYS A 70 92.038 -1.571 4.315 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 90.588 -1.399 6.247 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 89.692 -1.883 4.888 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 90.114 -3.020 6.077 1.00 1.00 H new ATOM 1013 N THR A 71 91.027 -6.007 -0.895 1.00 1.00 N ATOM 1014 CA THR A 71 90.476 -6.883 -1.910 1.00 1.00 C ATOM 1015 C THR A 71 91.426 -8.056 -2.126 1.00 1.00 C ATOM 1016 O THR A 71 91.001 -9.183 -2.377 1.00 1.00 O ATOM 1017 CB THR A 71 90.299 -6.101 -3.210 1.00 1.00 C ATOM 1018 OG1 THR A 71 91.568 -5.820 -3.779 1.00 1.00 O ATOM 1019 CG2 THR A 71 89.577 -4.787 -2.913 1.00 1.00 C ATOM 0 H THR A 71 91.445 -5.152 -1.263 1.00 1.00 H new ATOM 0 HA THR A 71 89.506 -7.263 -1.590 1.00 1.00 H new ATOM 0 HB THR A 71 89.713 -6.695 -3.912 1.00 1.00 H new ATOM 0 HG1 THR A 71 92.185 -5.530 -3.075 1.00 1.00 H new ATOM 0 HG21 THR A 71 89.448 -4.225 -3.838 1.00 1.00 H new ATOM 0 HG22 THR A 71 88.600 -4.999 -2.478 1.00 1.00 H new ATOM 0 HG23 THR A 71 90.167 -4.198 -2.210 1.00 1.00 H new ATOM 1027 N GLY A 72 92.724 -7.769 -2.010 1.00 1.00 N ATOM 1028 CA GLY A 72 93.751 -8.782 -2.177 1.00 1.00 C ATOM 1029 C GLY A 72 94.086 -8.985 -3.642 1.00 1.00 C ATOM 1030 O GLY A 72 94.708 -9.980 -4.013 1.00 1.00 O ATOM 0 H GLY A 72 93.083 -6.838 -1.800 1.00 1.00 H new ATOM 0 HA2 GLY A 72 94.648 -8.487 -1.633 1.00 1.00 H new ATOM 0 HA3 GLY A 72 93.411 -9.723 -1.745 1.00 1.00 H new ATOM 1034 N LYS A 73 93.670 -8.041 -4.485 1.00 1.00 N ATOM 1035 CA LYS A 73 93.946 -8.155 -5.925 1.00 1.00 C ATOM 1036 C LYS A 73 95.175 -7.328 -6.312 1.00 1.00 C ATOM 1037 O LYS A 73 95.158 -6.103 -6.185 1.00 1.00 O ATOM 1038 CB LYS A 73 92.714 -7.686 -6.720 1.00 1.00 C ATOM 1039 CG LYS A 73 91.690 -8.843 -6.876 1.00 1.00 C ATOM 1040 CD LYS A 73 90.268 -8.312 -6.680 1.00 1.00 C ATOM 1041 CE LYS A 73 89.255 -9.416 -6.944 1.00 1.00 C ATOM 1042 NZ LYS A 73 89.296 -9.816 -8.378 1.00 1.00 N ATOM 0 H LYS A 73 93.153 -7.206 -4.210 1.00 1.00 H new ATOM 0 HA LYS A 73 94.156 -9.198 -6.162 1.00 1.00 H new ATOM 0 HB2 LYS A 73 92.245 -6.844 -6.211 1.00 1.00 H new ATOM 0 HB3 LYS A 73 93.023 -7.331 -7.703 1.00 1.00 H new ATOM 0 HG2 LYS A 73 91.786 -9.294 -7.864 1.00 1.00 H new ATOM 0 HG3 LYS A 73 91.899 -9.626 -6.147 1.00 1.00 H new ATOM 0 HD2 LYS A 73 90.149 -7.935 -5.664 1.00 1.00 H new ATOM 0 HD3 LYS A 73 90.088 -7.475 -7.354 1.00 1.00 H new ATOM 0 HE2 LYS A 73 89.471 -10.277 -6.312 1.00 1.00 H new ATOM 0 HE3 LYS A 73 88.254 -9.072 -6.683 1.00 1.00 H new ATOM 0 HZ1 LYS A 73 88.403 -10.285 -8.633 1.00 1.00 H new ATOM 0 HZ2 LYS A 73 89.425 -8.971 -8.971 1.00 1.00 H new ATOM 0 HZ3 LYS A 73 90.088 -10.472 -8.533 1.00 1.00 H new ATOM 1056 N PRO A 74 96.255 -7.964 -6.763 1.00 1.00 N ATOM 1057 CA PRO A 74 97.501 -7.239 -7.132 1.00 1.00 C ATOM 1058 C PRO A 74 97.318 -6.212 -8.243 1.00 1.00 C ATOM 1059 O PRO A 74 96.446 -6.335 -9.102 1.00 1.00 O ATOM 1060 CB PRO A 74 98.473 -8.346 -7.574 1.00 1.00 C ATOM 1061 CG PRO A 74 97.930 -9.602 -7.006 1.00 1.00 C ATOM 1062 CD PRO A 74 96.437 -9.422 -6.964 1.00 1.00 C ATOM 0 HA PRO A 74 97.859 -6.652 -6.286 1.00 1.00 H new ATOM 0 HB2 PRO A 74 98.536 -8.402 -8.661 1.00 1.00 H new ATOM 0 HB3 PRO A 74 99.481 -8.153 -7.206 1.00 1.00 H new ATOM 0 HG2 PRO A 74 98.203 -10.459 -7.621 1.00 1.00 H new ATOM 0 HG3 PRO A 74 98.330 -9.785 -6.009 1.00 1.00 H new ATOM 0 HD2 PRO A 74 95.969 -9.759 -7.889 1.00 1.00 H new ATOM 0 HD3 PRO A 74 95.989 -9.995 -6.153 1.00 1.00 H new ATOM 1070 N ALA A 75 98.190 -5.215 -8.206 1.00 1.00 N ATOM 1071 CA ALA A 75 98.210 -4.142 -9.200 1.00 1.00 C ATOM 1072 C ALA A 75 99.608 -4.077 -9.796 1.00 1.00 C ATOM 1073 O ALA A 75 100.573 -4.435 -9.125 1.00 1.00 O ATOM 1074 CB ALA A 75 97.863 -2.802 -8.550 1.00 1.00 C ATOM 0 H ALA A 75 98.907 -5.124 -7.486 1.00 1.00 H new ATOM 0 HA ALA A 75 97.471 -4.344 -9.976 1.00 1.00 H new ATOM 0 HB1 ALA A 75 97.883 -2.016 -9.305 1.00 1.00 H new ATOM 0 HB2 ALA A 75 96.867 -2.858 -8.110 1.00 1.00 H new ATOM 0 HB3 ALA A 75 98.591 -2.576 -7.771 1.00 1.00 H new ATOM 1080 N THR A 76 99.726 -3.647 -11.050 1.00 1.00 N ATOM 1081 CA THR A 76 101.035 -3.586 -11.703 1.00 1.00 C ATOM 1082 C THR A 76 101.517 -2.165 -11.935 1.00 1.00 C ATOM 1083 O THR A 76 100.819 -1.336 -12.514 1.00 1.00 O ATOM 1084 CB THR A 76 100.971 -4.314 -13.044 1.00 1.00 C ATOM 1085 OG1 THR A 76 102.091 -3.943 -13.837 1.00 1.00 O ATOM 1086 CG2 THR A 76 99.676 -3.948 -13.777 1.00 1.00 C ATOM 0 H THR A 76 98.945 -3.339 -11.629 1.00 1.00 H new ATOM 0 HA THR A 76 101.746 -4.066 -11.031 1.00 1.00 H new ATOM 0 HB THR A 76 100.988 -5.390 -12.870 1.00 1.00 H new ATOM 0 HG1 THR A 76 102.052 -4.411 -14.697 1.00 1.00 H new ATOM 0 HG21 THR A 76 99.638 -4.471 -14.732 1.00 1.00 H new ATOM 0 HG22 THR A 76 98.819 -4.239 -13.169 1.00 1.00 H new ATOM 0 HG23 THR A 76 99.648 -2.872 -13.951 1.00 1.00 H new ATOM 1094 N PHE A 77 102.754 -1.922 -11.511 1.00 1.00 N ATOM 1095 CA PHE A 77 103.394 -0.630 -11.702 1.00 1.00 C ATOM 1096 C PHE A 77 104.839 -0.852 -12.047 1.00 1.00 C ATOM 1097 O PHE A 77 105.458 -1.813 -11.593 1.00 1.00 O ATOM 1098 CB PHE A 77 103.409 0.228 -10.431 1.00 1.00 C ATOM 1099 CG PHE A 77 102.061 0.280 -9.787 1.00 1.00 C ATOM 1100 CD1 PHE A 77 101.832 -0.460 -8.629 1.00 1.00 C ATOM 1101 CD2 PHE A 77 101.052 1.074 -10.338 1.00 1.00 C ATOM 1102 CE1 PHE A 77 100.584 -0.414 -8.008 1.00 1.00 C ATOM 1103 CE2 PHE A 77 99.799 1.126 -9.718 1.00 1.00 C ATOM 1104 CZ PHE A 77 99.563 0.380 -8.551 1.00 1.00 C ATOM 0 H PHE A 77 103.334 -2.610 -11.030 1.00 1.00 H new ATOM 0 HA PHE A 77 102.827 -0.121 -12.481 1.00 1.00 H new ATOM 0 HB2 PHE A 77 104.134 -0.178 -9.726 1.00 1.00 H new ATOM 0 HB3 PHE A 77 103.735 1.239 -10.677 1.00 1.00 H new ATOM 0 HD1 PHE A 77 102.621 -1.069 -8.212 1.00 1.00 H new ATOM 0 HD2 PHE A 77 101.238 1.644 -11.236 1.00 1.00 H new ATOM 0 HE1 PHE A 77 100.404 -0.988 -7.111 1.00 1.00 H new ATOM 0 HE2 PHE A 77 99.014 1.739 -10.136 1.00 1.00 H new ATOM 0 HZ PHE A 77 98.596 0.418 -8.072 1.00 1.00 H new ATOM 1114 N GLN A 78 105.401 0.087 -12.759 1.00 1.00 N ATOM 1115 CA GLN A 78 106.811 0.033 -13.049 1.00 1.00 C ATOM 1116 C GLN A 78 107.502 0.775 -11.935 1.00 1.00 C ATOM 1117 O GLN A 78 107.141 1.906 -11.612 1.00 1.00 O ATOM 1118 CB GLN A 78 107.139 0.666 -14.387 1.00 1.00 C ATOM 1119 CG GLN A 78 106.815 -0.303 -15.514 1.00 1.00 C ATOM 1120 CD GLN A 78 107.250 0.303 -16.840 1.00 1.00 C ATOM 1121 OE1 GLN A 78 107.086 -0.304 -17.898 1.00 1.00 O ATOM 1122 NE2 GLN A 78 107.803 1.476 -16.826 1.00 1.00 N ATOM 0 H GLN A 78 104.911 0.893 -13.147 1.00 1.00 H new ATOM 0 HA GLN A 78 107.143 -1.003 -13.113 1.00 1.00 H new ATOM 0 HB2 GLN A 78 106.569 1.587 -14.513 1.00 1.00 H new ATOM 0 HB3 GLN A 78 108.194 0.937 -14.421 1.00 1.00 H new ATOM 0 HG2 GLN A 78 107.325 -1.252 -15.350 1.00 1.00 H new ATOM 0 HG3 GLN A 78 105.746 -0.514 -15.531 1.00 1.00 H new ATOM 0 HE21 GLN A 78 107.933 1.968 -15.942 1.00 1.00 H new ATOM 0 HE22 GLN A 78 108.108 1.906 -17.699 1.00 1.00 H new ATOM 1131 N VAL A 79 108.468 0.133 -11.321 1.00 1.00 N ATOM 1132 CA VAL A 79 109.162 0.745 -10.218 1.00 1.00 C ATOM 1133 C VAL A 79 109.553 2.178 -10.563 1.00 1.00 C ATOM 1134 O VAL A 79 109.559 3.040 -9.694 1.00 1.00 O ATOM 1135 CB VAL A 79 110.417 -0.060 -9.865 1.00 1.00 C ATOM 1136 CG1 VAL A 79 111.032 0.488 -8.596 1.00 1.00 C ATOM 1137 CG2 VAL A 79 110.067 -1.516 -9.620 1.00 1.00 C ATOM 0 H VAL A 79 108.787 -0.804 -11.565 1.00 1.00 H new ATOM 0 HA VAL A 79 108.492 0.757 -9.358 1.00 1.00 H new ATOM 0 HB VAL A 79 111.114 0.018 -10.699 1.00 1.00 H new ATOM 0 HG11 VAL A 79 111.924 -0.086 -8.347 1.00 1.00 H new ATOM 0 HG12 VAL A 79 111.303 1.533 -8.745 1.00 1.00 H new ATOM 0 HG13 VAL A 79 110.312 0.412 -7.781 1.00 1.00 H new ATOM 0 HG21 VAL A 79 110.972 -2.071 -9.371 1.00 1.00 H new ATOM 0 HG22 VAL A 79 109.359 -1.586 -8.794 1.00 1.00 H new ATOM 0 HG23 VAL A 79 109.618 -1.939 -10.519 1.00 1.00 H new ATOM 1141 N SER A 80 109.884 2.429 -11.831 1.00 1.00 N ATOM 1142 CA SER A 80 110.300 3.762 -12.234 1.00 1.00 C ATOM 1143 C SER A 80 109.136 4.737 -12.292 1.00 1.00 C ATOM 1144 O SER A 80 109.332 5.949 -12.212 1.00 1.00 O ATOM 1145 CB SER A 80 110.966 3.710 -13.611 1.00 1.00 C ATOM 1146 OG SER A 80 110.867 4.987 -14.229 1.00 1.00 O ATOM 0 H SER A 80 109.871 1.737 -12.580 1.00 1.00 H new ATOM 0 HA SER A 80 111.004 4.115 -11.480 1.00 1.00 H new ATOM 0 HB2 SER A 80 112.012 3.422 -13.511 1.00 1.00 H new ATOM 0 HB3 SER A 80 110.485 2.954 -14.232 1.00 1.00 H new ATOM 0 HG SER A 80 111.294 4.958 -15.111 1.00 1.00 H new ATOM 1152 N GLN A 81 107.928 4.218 -12.476 1.00 1.00 N ATOM 1153 CA GLN A 81 106.753 5.087 -12.591 1.00 1.00 C ATOM 1154 C GLN A 81 105.941 5.188 -11.307 1.00 1.00 C ATOM 1155 O GLN A 81 105.041 6.024 -11.225 1.00 1.00 O ATOM 1156 CB GLN A 81 105.822 4.578 -13.683 1.00 1.00 C ATOM 1157 CG GLN A 81 106.563 4.450 -15.016 1.00 1.00 C ATOM 1158 CD GLN A 81 107.334 5.727 -15.359 1.00 1.00 C ATOM 1159 OE1 GLN A 81 106.820 6.833 -15.215 1.00 1.00 O ATOM 1160 NE2 GLN A 81 108.559 5.631 -15.801 1.00 1.00 N ATOM 0 H GLN A 81 107.733 3.219 -12.548 1.00 1.00 H new ATOM 0 HA GLN A 81 107.147 6.076 -12.826 1.00 1.00 H new ATOM 0 HB2 GLN A 81 105.413 3.610 -13.395 1.00 1.00 H new ATOM 0 HB3 GLN A 81 104.979 5.260 -13.795 1.00 1.00 H new ATOM 0 HG2 GLN A 81 107.255 3.609 -14.969 1.00 1.00 H new ATOM 0 HG3 GLN A 81 105.849 4.231 -15.810 1.00 1.00 H new ATOM 0 HE21 GLN A 81 108.987 4.713 -15.921 1.00 1.00 H new ATOM 0 HE22 GLN A 81 109.087 6.474 -16.026 1.00 1.00 H new ATOM 1169 N VAL A 82 106.200 4.333 -10.318 1.00 1.00 N ATOM 1170 CA VAL A 82 105.392 4.374 -9.091 1.00 1.00 C ATOM 1171 C VAL A 82 105.938 5.432 -8.125 1.00 1.00 C ATOM 1172 O VAL A 82 106.917 6.112 -8.434 1.00 1.00 O ATOM 1173 CB VAL A 82 105.355 2.970 -8.468 1.00 1.00 C ATOM 1174 CG1 VAL A 82 106.664 2.673 -7.788 1.00 1.00 C ATOM 1175 CG2 VAL A 82 104.255 2.835 -7.449 1.00 1.00 C ATOM 0 H VAL A 82 106.935 3.626 -10.334 1.00 1.00 H new ATOM 0 HA VAL A 82 104.368 4.666 -9.324 1.00 1.00 H new ATOM 0 HB VAL A 82 105.172 2.266 -9.280 1.00 1.00 H new ATOM 0 HG11 VAL A 82 106.628 1.676 -7.349 1.00 1.00 H new ATOM 0 HG12 VAL A 82 107.472 2.720 -8.518 1.00 1.00 H new ATOM 0 HG13 VAL A 82 106.841 3.408 -7.003 1.00 1.00 H new ATOM 0 HG21 VAL A 82 104.265 1.827 -7.034 1.00 1.00 H new ATOM 0 HG22 VAL A 82 104.410 3.559 -6.649 1.00 1.00 H new ATOM 0 HG23 VAL A 82 103.293 3.021 -7.926 1.00 1.00 H new ATOM 1179 N ILE A 83 105.278 5.613 -6.982 1.00 1.00 N ATOM 1180 CA ILE A 83 105.697 6.646 -6.031 1.00 1.00 C ATOM 1181 C ILE A 83 107.185 6.465 -5.652 1.00 1.00 C ATOM 1182 O ILE A 83 107.668 5.334 -5.592 1.00 1.00 O ATOM 1183 CB ILE A 83 104.792 6.627 -4.752 1.00 1.00 C ATOM 1184 CG1 ILE A 83 103.689 5.570 -4.885 1.00 1.00 C ATOM 1185 CG2 ILE A 83 104.119 7.990 -4.566 1.00 1.00 C ATOM 1186 CD1 ILE A 83 102.656 5.752 -3.788 1.00 1.00 C ATOM 0 H ILE A 83 104.465 5.069 -6.693 1.00 1.00 H new ATOM 0 HA ILE A 83 105.582 7.618 -6.511 1.00 1.00 H new ATOM 0 HB ILE A 83 105.427 6.394 -3.898 1.00 1.00 H new ATOM 0 HG12 ILE A 83 103.212 5.652 -5.862 1.00 1.00 H new ATOM 0 HG13 ILE A 83 104.122 4.572 -4.825 1.00 1.00 H new ATOM 0 HG21 ILE A 83 103.492 7.968 -3.675 1.00 1.00 H new ATOM 0 HG22 ILE A 83 104.882 8.760 -4.454 1.00 1.00 H new ATOM 0 HG23 ILE A 83 103.503 8.214 -5.437 1.00 1.00 H new ATOM 0 HD11 ILE A 83 101.878 4.996 -3.892 1.00 1.00 H new ATOM 0 HD12 ILE A 83 103.136 5.647 -2.815 1.00 1.00 H new ATOM 0 HD13 ILE A 83 102.211 6.744 -3.868 1.00 1.00 H new ATOM 1193 N PRO A 84 107.925 7.542 -5.398 1.00 1.00 N ATOM 1194 CA PRO A 84 109.373 7.438 -5.025 1.00 1.00 C ATOM 1195 C PRO A 84 109.611 6.468 -3.879 1.00 1.00 C ATOM 1196 O PRO A 84 110.541 5.663 -3.912 1.00 1.00 O ATOM 1197 CB PRO A 84 109.733 8.859 -4.571 1.00 1.00 C ATOM 1198 CG PRO A 84 108.794 9.748 -5.301 1.00 1.00 C ATOM 1199 CD PRO A 84 107.494 8.961 -5.432 1.00 1.00 C ATOM 0 HA PRO A 84 109.971 7.067 -5.857 1.00 1.00 H new ATOM 0 HB2 PRO A 84 109.621 8.968 -3.492 1.00 1.00 H new ATOM 0 HB3 PRO A 84 110.769 9.099 -4.810 1.00 1.00 H new ATOM 0 HG2 PRO A 84 108.634 10.679 -4.757 1.00 1.00 H new ATOM 0 HG3 PRO A 84 109.190 10.015 -6.281 1.00 1.00 H new ATOM 0 HD2 PRO A 84 106.807 9.188 -4.617 1.00 1.00 H new ATOM 0 HD3 PRO A 84 106.976 9.198 -6.361 1.00 1.00 H new ATOM 1207 N GLY A 85 108.776 6.559 -2.859 1.00 1.00 N ATOM 1208 CA GLY A 85 108.938 5.681 -1.718 1.00 1.00 C ATOM 1209 C GLY A 85 108.854 4.240 -2.172 1.00 1.00 C ATOM 1210 O GLY A 85 109.686 3.401 -1.828 1.00 1.00 O ATOM 0 H GLY A 85 107.998 7.215 -2.798 1.00 1.00 H new ATOM 0 HA2 GLY A 85 109.898 5.866 -1.237 1.00 1.00 H new ATOM 0 HA3 GLY A 85 108.166 5.885 -0.976 1.00 1.00 H new ATOM 1214 N TRP A 86 107.836 3.981 -2.970 1.00 1.00 N ATOM 1215 CA TRP A 86 107.609 2.653 -3.521 1.00 1.00 C ATOM 1216 C TRP A 86 108.767 2.262 -4.440 1.00 1.00 C ATOM 1217 O TRP A 86 109.152 1.099 -4.511 1.00 1.00 O ATOM 1218 CB TRP A 86 106.293 2.653 -4.321 1.00 1.00 C ATOM 1219 CG TRP A 86 105.114 2.316 -3.457 1.00 1.00 C ATOM 1220 CD1 TRP A 86 104.727 2.963 -2.339 1.00 1.00 C ATOM 1221 CD2 TRP A 86 104.144 1.270 -3.666 1.00 1.00 C ATOM 1222 NE1 TRP A 86 103.604 2.350 -1.828 1.00 1.00 N ATOM 1223 CE2 TRP A 86 103.204 1.295 -2.618 1.00 1.00 C ATOM 1224 CE3 TRP A 86 104.004 0.302 -4.654 1.00 1.00 C ATOM 1225 CZ2 TRP A 86 102.159 0.382 -2.557 1.00 1.00 C ATOM 1226 CZ3 TRP A 86 102.954 -0.615 -4.604 1.00 1.00 C ATOM 1227 CH2 TRP A 86 102.032 -0.581 -3.556 1.00 1.00 C ATOM 0 H TRP A 86 107.147 4.677 -3.255 1.00 1.00 H new ATOM 0 HA TRP A 86 107.545 1.932 -2.706 1.00 1.00 H new ATOM 0 HB2 TRP A 86 106.143 3.633 -4.774 1.00 1.00 H new ATOM 0 HB3 TRP A 86 106.364 1.933 -5.136 1.00 1.00 H new ATOM 0 HD1 TRP A 86 105.219 3.824 -1.912 1.00 1.00 H new ATOM 0 HE1 TRP A 86 103.129 2.640 -0.973 1.00 1.00 H new ATOM 0 HE3 TRP A 86 104.714 0.260 -5.467 1.00 1.00 H new ATOM 0 HZ2 TRP A 86 101.451 0.418 -1.742 1.00 1.00 H new ATOM 0 HZ3 TRP A 86 102.853 -1.357 -5.382 1.00 1.00 H new ATOM 0 HH2 TRP A 86 101.225 -1.297 -3.520 1.00 1.00 H new ATOM 1238 N THR A 87 109.304 3.235 -5.163 1.00 1.00 N ATOM 1239 CA THR A 87 110.386 2.958 -6.090 1.00 1.00 C ATOM 1240 C THR A 87 111.517 2.204 -5.397 1.00 1.00 C ATOM 1241 O THR A 87 111.966 1.161 -5.871 1.00 1.00 O ATOM 1242 CB THR A 87 110.935 4.277 -6.640 1.00 1.00 C ATOM 1243 OG1 THR A 87 109.860 5.080 -7.108 1.00 1.00 O ATOM 1244 CG2 THR A 87 111.904 4.011 -7.789 1.00 1.00 C ATOM 0 H THR A 87 109.011 4.211 -5.125 1.00 1.00 H new ATOM 0 HA THR A 87 109.995 2.342 -6.900 1.00 1.00 H new ATOM 0 HB THR A 87 111.465 4.797 -5.842 1.00 1.00 H new ATOM 0 HG1 THR A 87 109.231 5.244 -6.375 1.00 1.00 H new ATOM 0 HG21 THR A 87 112.286 4.958 -8.170 1.00 1.00 H new ATOM 0 HG22 THR A 87 112.734 3.402 -7.431 1.00 1.00 H new ATOM 0 HG23 THR A 87 111.385 3.482 -8.588 1.00 1.00 H new ATOM 1252 N GLU A 88 111.984 2.754 -4.292 1.00 1.00 N ATOM 1253 CA GLU A 88 113.082 2.149 -3.546 1.00 1.00 C ATOM 1254 C GLU A 88 112.656 0.878 -2.807 1.00 1.00 C ATOM 1255 O GLU A 88 113.373 -0.120 -2.813 1.00 1.00 O ATOM 1256 CB GLU A 88 113.628 3.162 -2.539 1.00 1.00 C ATOM 1257 CG GLU A 88 115.009 2.710 -2.056 1.00 1.00 C ATOM 1258 CD GLU A 88 116.034 2.913 -3.166 1.00 1.00 C ATOM 1259 OE1 GLU A 88 117.159 2.471 -2.998 1.00 1.00 O ATOM 1260 OE2 GLU A 88 115.680 3.516 -4.166 1.00 1.00 O ATOM 0 H GLU A 88 111.623 3.618 -3.888 1.00 1.00 H new ATOM 0 HA GLU A 88 113.851 1.867 -4.265 1.00 1.00 H new ATOM 0 HB2 GLU A 88 113.697 4.147 -3.000 1.00 1.00 H new ATOM 0 HB3 GLU A 88 112.947 3.253 -1.693 1.00 1.00 H new ATOM 0 HG2 GLU A 88 115.299 3.277 -1.172 1.00 1.00 H new ATOM 0 HG3 GLU A 88 114.977 1.660 -1.765 1.00 1.00 H new ATOM 1267 N ALA A 89 111.509 0.940 -2.140 1.00 1.00 N ATOM 1268 CA ALA A 89 111.012 -0.189 -1.350 1.00 1.00 C ATOM 1269 C ALA A 89 110.861 -1.488 -2.149 1.00 1.00 C ATOM 1270 O ALA A 89 111.287 -2.546 -1.687 1.00 1.00 O ATOM 1271 CB ALA A 89 109.659 0.171 -0.754 1.00 1.00 C ATOM 0 H ALA A 89 110.902 1.760 -2.128 1.00 1.00 H new ATOM 0 HA ALA A 89 111.760 -0.373 -0.579 1.00 1.00 H new ATOM 0 HB1 ALA A 89 109.286 -0.667 -0.165 1.00 1.00 H new ATOM 0 HB2 ALA A 89 109.765 1.046 -0.113 1.00 1.00 H new ATOM 0 HB3 ALA A 89 108.955 0.392 -1.556 1.00 1.00 H new ATOM 1277 N LEU A 90 110.226 -1.421 -3.318 1.00 1.00 N ATOM 1278 CA LEU A 90 110.002 -2.628 -4.113 1.00 1.00 C ATOM 1279 C LEU A 90 111.329 -3.294 -4.429 1.00 1.00 C ATOM 1280 O LEU A 90 111.462 -4.516 -4.350 1.00 1.00 O ATOM 1281 CB LEU A 90 109.329 -2.255 -5.432 1.00 1.00 C ATOM 1282 CG LEU A 90 107.966 -1.607 -5.172 1.00 1.00 C ATOM 1283 CD1 LEU A 90 107.524 -0.867 -6.435 1.00 1.00 C ATOM 1284 CD2 LEU A 90 106.929 -2.669 -4.813 1.00 1.00 C ATOM 0 H LEU A 90 109.863 -0.561 -3.730 1.00 1.00 H new ATOM 0 HA LEU A 90 109.369 -3.308 -3.543 1.00 1.00 H new ATOM 0 HB2 LEU A 90 109.965 -1.568 -5.990 1.00 1.00 H new ATOM 0 HB3 LEU A 90 109.204 -3.145 -6.048 1.00 1.00 H new ATOM 0 HG LEU A 90 108.052 -0.911 -4.338 1.00 1.00 H new ATOM 0 HD11 LEU A 90 106.554 -0.401 -6.263 1.00 1.00 H new ATOM 0 HD12 LEU A 90 108.257 -0.099 -6.682 1.00 1.00 H new ATOM 0 HD13 LEU A 90 107.446 -1.573 -7.262 1.00 1.00 H new ATOM 0 HD21 LEU A 90 105.966 -2.191 -4.631 1.00 1.00 H new ATOM 0 HD22 LEU A 90 106.833 -3.377 -5.636 1.00 1.00 H new ATOM 0 HD23 LEU A 90 107.246 -3.198 -3.915 1.00 1.00 H new ATOM 1296 N GLN A 91 112.307 -2.479 -4.785 1.00 1.00 N ATOM 1297 CA GLN A 91 113.622 -2.982 -5.115 1.00 1.00 C ATOM 1298 C GLN A 91 114.244 -3.664 -3.907 1.00 1.00 C ATOM 1299 O GLN A 91 115.143 -4.494 -4.040 1.00 1.00 O ATOM 1300 CB GLN A 91 114.515 -1.829 -5.545 1.00 1.00 C ATOM 1301 CG GLN A 91 113.916 -1.150 -6.774 1.00 1.00 C ATOM 1302 CD GLN A 91 114.729 0.092 -7.126 1.00 1.00 C ATOM 1303 OE1 GLN A 91 115.958 0.034 -7.170 1.00 1.00 O ATOM 1304 NE2 GLN A 91 114.119 1.219 -7.366 1.00 1.00 N ATOM 0 H GLN A 91 112.212 -1.466 -4.852 1.00 1.00 H new ATOM 0 HA GLN A 91 113.526 -3.703 -5.927 1.00 1.00 H new ATOM 0 HB2 GLN A 91 114.615 -1.110 -4.732 1.00 1.00 H new ATOM 0 HB3 GLN A 91 115.516 -2.196 -5.771 1.00 1.00 H new ATOM 0 HG2 GLN A 91 113.909 -1.842 -7.616 1.00 1.00 H new ATOM 0 HG3 GLN A 91 112.880 -0.874 -6.580 1.00 1.00 H new ATOM 0 HE21 GLN A 91 113.101 1.266 -7.329 1.00 1.00 H new ATOM 0 HE22 GLN A 91 114.660 2.054 -7.591 1.00 1.00 H new ATOM 1313 N LEU A 92 113.773 -3.288 -2.722 1.00 1.00 N ATOM 1314 CA LEU A 92 114.300 -3.854 -1.481 1.00 1.00 C ATOM 1315 C LEU A 92 113.370 -4.908 -0.920 1.00 1.00 C ATOM 1316 O LEU A 92 113.761 -5.652 -0.032 1.00 1.00 O ATOM 1317 CB LEU A 92 114.468 -2.752 -0.434 1.00 1.00 C ATOM 1318 CG LEU A 92 115.454 -1.683 -0.915 1.00 1.00 C ATOM 1319 CD1 LEU A 92 115.488 -0.559 0.105 1.00 1.00 C ATOM 1320 CD2 LEU A 92 116.858 -2.273 -1.072 1.00 1.00 C ATOM 0 H LEU A 92 113.032 -2.599 -2.593 1.00 1.00 H new ATOM 0 HA LEU A 92 115.262 -4.311 -1.711 1.00 1.00 H new ATOM 0 HB2 LEU A 92 113.502 -2.293 -0.226 1.00 1.00 H new ATOM 0 HB3 LEU A 92 114.823 -3.185 0.501 1.00 1.00 H new ATOM 0 HG LEU A 92 115.129 -1.306 -1.885 1.00 1.00 H new ATOM 0 HD11 LEU A 92 116.187 0.210 -0.224 1.00 1.00 H new ATOM 0 HD12 LEU A 92 114.492 -0.127 0.203 1.00 1.00 H new ATOM 0 HD13 LEU A 92 115.810 -0.952 1.069 1.00 1.00 H new ATOM 0 HD21 LEU A 92 117.543 -1.497 -1.414 1.00 1.00 H new ATOM 0 HD22 LEU A 92 117.199 -2.660 -0.112 1.00 1.00 H new ATOM 0 HD23 LEU A 92 116.833 -3.082 -1.802 1.00 1.00 H new ATOM 1332 N MET A 93 112.135 -4.959 -1.420 1.00 1.00 N ATOM 1333 CA MET A 93 111.159 -5.930 -0.921 1.00 1.00 C ATOM 1334 C MET A 93 111.228 -7.269 -1.692 1.00 1.00 C ATOM 1335 O MET A 93 110.796 -7.326 -2.843 1.00 1.00 O ATOM 1336 CB MET A 93 109.744 -5.348 -1.060 1.00 1.00 C ATOM 1337 CG MET A 93 108.733 -6.344 -0.488 1.00 1.00 C ATOM 1338 SD MET A 93 107.168 -5.505 -0.120 1.00 1.00 S ATOM 1339 CE MET A 93 106.551 -5.322 -1.813 1.00 1.00 C ATOM 0 H MET A 93 111.789 -4.348 -2.160 1.00 1.00 H new ATOM 0 HA MET A 93 111.395 -6.128 0.125 1.00 1.00 H new ATOM 0 HB2 MET A 93 109.675 -4.397 -0.531 1.00 1.00 H new ATOM 0 HB3 MET A 93 109.522 -5.147 -2.108 1.00 1.00 H new ATOM 0 HG2 MET A 93 108.563 -7.151 -1.201 1.00 1.00 H new ATOM 0 HG3 MET A 93 109.132 -6.799 0.419 1.00 1.00 H new ATOM 0 HE1 MET A 93 106.531 -4.266 -2.081 1.00 1.00 H new ATOM 0 HE2 MET A 93 107.207 -5.858 -2.499 1.00 1.00 H new ATOM 0 HE3 MET A 93 105.543 -5.732 -1.879 1.00 1.00 H new ATOM 1349 N PRO A 94 111.733 -8.350 -1.098 1.00 1.00 N ATOM 1350 CA PRO A 94 111.801 -9.684 -1.779 1.00 1.00 C ATOM 1351 C PRO A 94 110.417 -10.263 -2.049 1.00 1.00 C ATOM 1352 O PRO A 94 109.476 -10.031 -1.292 1.00 1.00 O ATOM 1353 CB PRO A 94 112.595 -10.568 -0.799 1.00 1.00 C ATOM 1354 CG PRO A 94 113.244 -9.627 0.152 1.00 1.00 C ATOM 1355 CD PRO A 94 112.298 -8.451 0.257 1.00 1.00 C ATOM 0 HA PRO A 94 112.271 -9.615 -2.760 1.00 1.00 H new ATOM 0 HB2 PRO A 94 111.937 -11.262 -0.276 1.00 1.00 H new ATOM 0 HB3 PRO A 94 113.338 -11.168 -1.325 1.00 1.00 H new ATOM 0 HG2 PRO A 94 113.399 -10.095 1.124 1.00 1.00 H new ATOM 0 HG3 PRO A 94 114.223 -9.313 -0.211 1.00 1.00 H new ATOM 0 HD2 PRO A 94 111.523 -8.623 1.004 1.00 1.00 H new ATOM 0 HD3 PRO A 94 112.821 -7.539 0.544 1.00 1.00 H new ATOM 1363 N ALA A 95 110.304 -11.013 -3.137 1.00 1.00 N ATOM 1364 CA ALA A 95 109.030 -11.610 -3.496 1.00 1.00 C ATOM 1365 C ALA A 95 108.579 -12.605 -2.458 1.00 1.00 C ATOM 1366 O ALA A 95 109.371 -13.383 -1.926 1.00 1.00 O ATOM 1367 CB ALA A 95 109.093 -12.258 -4.875 1.00 1.00 C ATOM 0 H ALA A 95 111.070 -11.219 -3.778 1.00 1.00 H new ATOM 0 HA ALA A 95 108.293 -10.808 -3.534 1.00 1.00 H new ATOM 0 HB1 ALA A 95 108.124 -12.696 -5.116 1.00 1.00 H new ATOM 0 HB2 ALA A 95 109.345 -11.504 -5.620 1.00 1.00 H new ATOM 0 HB3 ALA A 95 109.854 -13.038 -4.876 1.00 1.00 H new ATOM 1373 N GLY A 96 107.289 -12.541 -2.153 1.00 1.00 N ATOM 1374 CA GLY A 96 106.700 -13.398 -1.152 1.00 1.00 C ATOM 1375 C GLY A 96 106.723 -12.665 0.173 1.00 1.00 C ATOM 1376 O GLY A 96 105.988 -13.001 1.104 1.00 1.00 O ATOM 0 H GLY A 96 106.632 -11.896 -2.593 1.00 1.00 H new ATOM 0 HA2 GLY A 96 105.677 -13.655 -1.426 1.00 1.00 H new ATOM 0 HA3 GLY A 96 107.255 -14.333 -1.078 1.00 1.00 H new ATOM 1380 N SER A 97 107.575 -11.640 0.243 1.00 1.00 N ATOM 1381 CA SER A 97 107.694 -10.840 1.450 1.00 1.00 C ATOM 1382 C SER A 97 106.715 -9.678 1.424 1.00 1.00 C ATOM 1383 O SER A 97 106.656 -8.914 0.461 1.00 1.00 O ATOM 1384 CB SER A 97 109.123 -10.314 1.582 1.00 1.00 C ATOM 1385 OG SER A 97 109.215 -9.043 0.958 1.00 1.00 O ATOM 0 H SER A 97 108.187 -11.351 -0.520 1.00 1.00 H new ATOM 0 HA SER A 97 107.459 -11.469 2.308 1.00 1.00 H new ATOM 0 HB2 SER A 97 109.398 -10.236 2.634 1.00 1.00 H new ATOM 0 HB3 SER A 97 109.823 -11.010 1.120 1.00 1.00 H new ATOM 0 HG SER A 97 109.059 -9.139 -0.005 1.00 1.00 H new ATOM 1391 N THR A 98 105.947 -9.556 2.501 1.00 1.00 N ATOM 1392 CA THR A 98 104.960 -8.491 2.627 1.00 1.00 C ATOM 1393 C THR A 98 105.475 -7.419 3.557 1.00 1.00 C ATOM 1394 O THR A 98 105.675 -7.663 4.743 1.00 1.00 O ATOM 1395 CB THR A 98 103.655 -9.051 3.185 1.00 1.00 C ATOM 1396 OG1 THR A 98 103.179 -10.085 2.337 1.00 1.00 O ATOM 1397 CG2 THR A 98 102.622 -7.937 3.255 1.00 1.00 C ATOM 0 H THR A 98 105.990 -10.185 3.303 1.00 1.00 H new ATOM 0 HA THR A 98 104.780 -8.064 1.640 1.00 1.00 H new ATOM 0 HB THR A 98 103.828 -9.455 4.183 1.00 1.00 H new ATOM 0 HG1 THR A 98 102.342 -10.444 2.698 1.00 1.00 H new ATOM 0 HG21 THR A 98 101.687 -8.332 3.653 1.00 1.00 H new ATOM 0 HG22 THR A 98 102.987 -7.143 3.906 1.00 1.00 H new ATOM 0 HG23 THR A 98 102.450 -7.537 2.256 1.00 1.00 H new ATOM 1405 N TRP A 99 105.715 -6.225 3.017 1.00 1.00 N ATOM 1406 CA TRP A 99 106.228 -5.118 3.824 1.00 1.00 C ATOM 1407 C TRP A 99 105.220 -3.978 3.885 1.00 1.00 C ATOM 1408 O TRP A 99 104.312 -3.879 3.060 1.00 1.00 O ATOM 1409 CB TRP A 99 107.515 -4.520 3.227 1.00 1.00 C ATOM 1410 CG TRP A 99 108.688 -5.462 3.247 1.00 1.00 C ATOM 1411 CD1 TRP A 99 108.688 -6.774 3.590 1.00 1.00 C ATOM 1412 CD2 TRP A 99 110.062 -5.133 2.914 1.00 1.00 C ATOM 1413 NE1 TRP A 99 109.969 -7.272 3.479 1.00 1.00 N ATOM 1414 CE2 TRP A 99 110.858 -6.294 3.066 1.00 1.00 C ATOM 1415 CE3 TRP A 99 110.684 -3.941 2.495 1.00 1.00 C ATOM 1416 CZ2 TRP A 99 112.231 -6.270 2.812 1.00 1.00 C ATOM 1417 CZ3 TRP A 99 112.063 -3.915 2.239 1.00 1.00 C ATOM 1418 CH2 TRP A 99 112.835 -5.076 2.400 1.00 1.00 C ATOM 0 H TRP A 99 105.564 -6.000 2.034 1.00 1.00 H new ATOM 0 HA TRP A 99 106.422 -5.536 4.812 1.00 1.00 H new ATOM 0 HB2 TRP A 99 107.321 -4.218 2.198 1.00 1.00 H new ATOM 0 HB3 TRP A 99 107.776 -3.618 3.780 1.00 1.00 H new ATOM 0 HD1 TRP A 99 107.822 -7.339 3.901 1.00 1.00 H new ATOM 0 HE1 TRP A 99 110.229 -8.238 3.676 1.00 1.00 H new ATOM 0 HE3 TRP A 99 110.097 -3.043 2.370 1.00 1.00 H new ATOM 0 HZ2 TRP A 99 112.822 -7.166 2.932 1.00 1.00 H new ATOM 0 HZ3 TRP A 99 112.533 -2.997 1.917 1.00 1.00 H new ATOM 0 HH2 TRP A 99 113.897 -5.048 2.206 1.00 1.00 H new ATOM 1429 N GLU A 100 105.462 -3.084 4.836 1.00 1.00 N ATOM 1430 CA GLU A 100 104.676 -1.870 5.012 1.00 1.00 C ATOM 1431 C GLU A 100 105.649 -0.719 4.943 1.00 1.00 C ATOM 1432 O GLU A 100 106.670 -0.748 5.628 1.00 1.00 O ATOM 1433 CB GLU A 100 103.944 -1.836 6.357 1.00 1.00 C ATOM 1434 CG GLU A 100 102.708 -2.722 6.297 1.00 1.00 C ATOM 1435 CD GLU A 100 102.058 -2.811 7.673 1.00 1.00 C ATOM 1436 OE1 GLU A 100 102.570 -2.189 8.589 1.00 1.00 O ATOM 1437 OE2 GLU A 100 101.061 -3.503 7.794 1.00 1.00 O ATOM 0 H GLU A 100 106.218 -3.183 5.514 1.00 1.00 H new ATOM 0 HA GLU A 100 103.909 -1.818 4.239 1.00 1.00 H new ATOM 0 HB2 GLU A 100 104.608 -2.177 7.151 1.00 1.00 H new ATOM 0 HB3 GLU A 100 103.657 -0.813 6.599 1.00 1.00 H new ATOM 0 HG2 GLU A 100 101.997 -2.319 5.576 1.00 1.00 H new ATOM 0 HG3 GLU A 100 102.982 -3.719 5.951 1.00 1.00 H new ATOM 1444 N ILE A 101 105.361 0.281 4.113 1.00 1.00 N ATOM 1445 CA ILE A 101 106.256 1.414 3.977 1.00 1.00 C ATOM 1446 C ILE A 101 105.511 2.703 4.215 1.00 1.00 C ATOM 1447 O ILE A 101 104.368 2.879 3.800 1.00 1.00 O ATOM 1448 CB ILE A 101 106.980 1.379 2.621 1.00 1.00 C ATOM 1449 CG1 ILE A 101 106.155 1.997 1.490 1.00 1.00 C ATOM 1450 CG2 ILE A 101 107.272 -0.086 2.287 1.00 1.00 C ATOM 1451 CD1 ILE A 101 107.027 2.033 0.242 1.00 1.00 C ATOM 0 H ILE A 101 104.523 0.325 3.533 1.00 1.00 H new ATOM 0 HA ILE A 101 107.032 1.352 4.740 1.00 1.00 H new ATOM 0 HB ILE A 101 107.892 1.970 2.705 1.00 1.00 H new ATOM 0 HG12 ILE A 101 105.254 1.410 1.310 1.00 1.00 H new ATOM 0 HG13 ILE A 101 105.832 3.003 1.759 1.00 1.00 H new ATOM 0 HG21 ILE A 101 107.787 -0.145 1.328 1.00 1.00 H new ATOM 0 HG22 ILE A 101 107.902 -0.518 3.064 1.00 1.00 H new ATOM 0 HG23 ILE A 101 106.335 -0.640 2.231 1.00 1.00 H new ATOM 0 HD11 ILE A 101 106.464 2.470 -0.583 1.00 1.00 H new ATOM 0 HD12 ILE A 101 107.914 2.636 0.435 1.00 1.00 H new ATOM 0 HD13 ILE A 101 107.328 1.019 -0.021 1.00 1.00 H new ATOM 1458 N TYR A 102 106.182 3.588 4.928 1.00 1.00 N ATOM 1459 CA TYR A 102 105.632 4.868 5.299 1.00 1.00 C ATOM 1460 C TYR A 102 106.383 5.896 4.480 1.00 1.00 C ATOM 1461 O TYR A 102 107.564 6.160 4.716 1.00 1.00 O ATOM 1462 CB TYR A 102 105.850 5.097 6.805 1.00 1.00 C ATOM 1463 CG TYR A 102 105.310 3.920 7.635 1.00 1.00 C ATOM 1464 CD1 TYR A 102 105.711 2.596 7.368 1.00 1.00 C ATOM 1465 CD2 TYR A 102 104.409 4.155 8.685 1.00 1.00 C ATOM 1466 CE1 TYR A 102 105.225 1.539 8.128 1.00 1.00 C ATOM 1467 CE2 TYR A 102 103.924 3.085 9.454 1.00 1.00 C ATOM 1468 CZ TYR A 102 104.332 1.776 9.173 1.00 1.00 C ATOM 1469 OH TYR A 102 103.854 0.722 9.924 1.00 1.00 O ATOM 0 H TYR A 102 107.132 3.433 5.266 1.00 1.00 H new ATOM 0 HA TYR A 102 104.560 4.931 5.109 1.00 1.00 H new ATOM 0 HB2 TYR A 102 106.914 5.227 7.005 1.00 1.00 H new ATOM 0 HB3 TYR A 102 105.353 6.018 7.110 1.00 1.00 H new ATOM 0 HD1 TYR A 102 106.404 2.400 6.563 1.00 1.00 H new ATOM 0 HD2 TYR A 102 104.087 5.163 8.902 1.00 1.00 H new ATOM 0 HE1 TYR A 102 105.540 0.530 7.909 1.00 1.00 H new ATOM 0 HE2 TYR A 102 103.235 3.272 10.264 1.00 1.00 H new ATOM 0 HH TYR A 102 103.243 1.061 10.612 1.00 1.00 H new ATOM 1479 N VAL A 103 105.717 6.401 3.450 1.00 1.00 N ATOM 1480 CA VAL A 103 106.347 7.315 2.513 1.00 1.00 C ATOM 1481 C VAL A 103 106.223 8.788 2.874 1.00 1.00 C ATOM 1482 O VAL A 103 105.127 9.346 2.830 1.00 1.00 O ATOM 1483 CB VAL A 103 105.748 7.155 1.125 1.00 1.00 C ATOM 1484 CG1 VAL A 103 106.623 7.887 0.117 1.00 1.00 C ATOM 1485 CG2 VAL A 103 105.660 5.678 0.750 1.00 1.00 C ATOM 0 H VAL A 103 104.740 6.192 3.244 1.00 1.00 H new ATOM 0 HA VAL A 103 107.402 7.044 2.549 1.00 1.00 H new ATOM 0 HB VAL A 103 104.743 7.576 1.119 1.00 1.00 H new ATOM 0 HG11 VAL A 103 106.199 7.776 -0.881 1.00 1.00 H new ATOM 0 HG12 VAL A 103 106.670 8.945 0.376 1.00 1.00 H new ATOM 0 HG13 VAL A 103 107.628 7.465 0.133 1.00 1.00 H new ATOM 0 HG21 VAL A 103 105.229 5.581 -0.246 1.00 1.00 H new ATOM 0 HG22 VAL A 103 106.658 5.240 0.758 1.00 1.00 H new ATOM 0 HG23 VAL A 103 105.030 5.157 1.470 1.00 1.00 H new ATOM 1489 N PRO A 104 107.321 9.452 3.145 1.00 1.00 N ATOM 1490 CA PRO A 104 107.292 10.906 3.417 1.00 1.00 C ATOM 1491 C PRO A 104 106.534 11.631 2.306 1.00 1.00 C ATOM 1492 O PRO A 104 106.615 11.245 1.138 1.00 1.00 O ATOM 1493 CB PRO A 104 108.779 11.305 3.408 1.00 1.00 C ATOM 1494 CG PRO A 104 109.549 10.050 3.703 1.00 1.00 C ATOM 1495 CD PRO A 104 108.686 8.888 3.244 1.00 1.00 C ATOM 0 HA PRO A 104 106.793 11.160 4.352 1.00 1.00 H new ATOM 0 HB2 PRO A 104 109.065 11.720 2.441 1.00 1.00 H new ATOM 0 HB3 PRO A 104 108.981 12.071 4.156 1.00 1.00 H new ATOM 0 HG2 PRO A 104 110.505 10.051 3.180 1.00 1.00 H new ATOM 0 HG3 PRO A 104 109.768 9.972 4.768 1.00 1.00 H new ATOM 0 HD2 PRO A 104 109.024 8.498 2.284 1.00 1.00 H new ATOM 0 HD3 PRO A 104 108.723 8.062 3.954 1.00 1.00 H new ATOM 1503 N SER A 105 105.790 12.664 2.667 1.00 1.00 N ATOM 1504 CA SER A 105 105.023 13.401 1.676 1.00 1.00 C ATOM 1505 C SER A 105 105.903 13.766 0.486 1.00 1.00 C ATOM 1506 O SER A 105 105.444 13.779 -0.657 1.00 1.00 O ATOM 1507 CB SER A 105 104.448 14.672 2.295 1.00 1.00 C ATOM 1508 OG SER A 105 105.517 15.516 2.700 1.00 1.00 O ATOM 0 H SER A 105 105.701 13.007 3.623 1.00 1.00 H new ATOM 0 HA SER A 105 104.206 12.767 1.332 1.00 1.00 H new ATOM 0 HB2 SER A 105 103.814 15.188 1.574 1.00 1.00 H new ATOM 0 HB3 SER A 105 103.820 14.423 3.151 1.00 1.00 H new ATOM 0 HG SER A 105 105.235 16.453 2.641 1.00 1.00 H new ATOM 1514 N GLY A 106 107.168 14.056 0.759 1.00 1.00 N ATOM 1515 CA GLY A 106 108.107 14.415 -0.297 1.00 1.00 C ATOM 1516 C GLY A 106 108.356 13.242 -1.233 1.00 1.00 C ATOM 1517 O GLY A 106 108.611 13.428 -2.422 1.00 1.00 O ATOM 0 H GLY A 106 107.567 14.050 1.698 1.00 1.00 H new ATOM 0 HA2 GLY A 106 107.715 15.259 -0.864 1.00 1.00 H new ATOM 0 HA3 GLY A 106 109.050 14.738 0.145 1.00 1.00 H new ATOM 1521 N LEU A 107 108.298 12.031 -0.681 1.00 1.00 N ATOM 1522 CA LEU A 107 108.536 10.819 -1.464 1.00 1.00 C ATOM 1523 C LEU A 107 107.223 10.143 -1.829 1.00 1.00 C ATOM 1524 O LEU A 107 107.235 9.062 -2.406 1.00 1.00 O ATOM 1525 CB LEU A 107 109.406 9.821 -0.674 1.00 1.00 C ATOM 1526 CG LEU A 107 110.771 10.436 -0.313 1.00 1.00 C ATOM 1527 CD1 LEU A 107 111.648 9.375 0.361 1.00 1.00 C ATOM 1528 CD2 LEU A 107 111.479 10.958 -1.574 1.00 1.00 C ATOM 0 H LEU A 107 108.089 11.863 0.303 1.00 1.00 H new ATOM 0 HA LEU A 107 109.056 11.115 -2.375 1.00 1.00 H new ATOM 0 HB2 LEU A 107 108.886 9.523 0.237 1.00 1.00 H new ATOM 0 HB3 LEU A 107 109.556 8.918 -1.265 1.00 1.00 H new ATOM 0 HG LEU A 107 110.609 11.270 0.369 1.00 1.00 H new ATOM 0 HD11 LEU A 107 112.614 9.810 0.616 1.00 1.00 H new ATOM 0 HD12 LEU A 107 111.158 9.021 1.268 1.00 1.00 H new ATOM 0 HD13 LEU A 107 111.796 8.538 -0.322 1.00 1.00 H new ATOM 0 HD21 LEU A 107 112.442 11.389 -1.299 1.00 1.00 H new ATOM 0 HD22 LEU A 107 111.636 10.134 -2.270 1.00 1.00 H new ATOM 0 HD23 LEU A 107 110.862 11.721 -2.048 1.00 1.00 H new ATOM 1540 N ALA A 108 106.088 10.755 -1.463 1.00 1.00 N ATOM 1541 CA ALA A 108 104.783 10.175 -1.742 1.00 1.00 C ATOM 1542 C ALA A 108 104.082 10.945 -2.856 1.00 1.00 C ATOM 1543 O ALA A 108 104.508 10.901 -4.008 1.00 1.00 O ATOM 1544 CB ALA A 108 103.916 10.198 -0.483 1.00 1.00 C ATOM 0 H ALA A 108 106.056 11.650 -0.974 1.00 1.00 H new ATOM 0 HA ALA A 108 104.929 9.143 -2.062 1.00 1.00 H new ATOM 0 HB1 ALA A 108 102.942 9.762 -0.704 1.00 1.00 H new ATOM 0 HB2 ALA A 108 104.402 9.621 0.304 1.00 1.00 H new ATOM 0 HB3 ALA A 108 103.785 11.228 -0.150 1.00 1.00 H new ATOM 1550 N TYR A 109 102.991 11.642 -2.526 1.00 1.00 N ATOM 1551 CA TYR A 109 102.235 12.381 -3.532 1.00 1.00 C ATOM 1552 C TYR A 109 102.575 13.865 -3.575 1.00 1.00 C ATOM 1553 O TYR A 109 101.965 14.610 -4.344 1.00 1.00 O ATOM 1554 CB TYR A 109 100.740 12.159 -3.321 1.00 1.00 C ATOM 1555 CG TYR A 109 100.442 10.738 -3.743 1.00 1.00 C ATOM 1556 CD1 TYR A 109 100.227 9.769 -2.776 1.00 1.00 C ATOM 1557 CD2 TYR A 109 100.411 10.388 -5.105 1.00 1.00 C ATOM 1558 CE1 TYR A 109 99.988 8.464 -3.143 1.00 1.00 C ATOM 1559 CE2 TYR A 109 100.170 9.065 -5.475 1.00 1.00 C ATOM 1560 CZ TYR A 109 99.962 8.103 -4.482 1.00 1.00 C ATOM 1561 OH TYR A 109 99.742 6.795 -4.808 1.00 1.00 O ATOM 0 H TYR A 109 102.617 11.708 -1.579 1.00 1.00 H new ATOM 0 HA TYR A 109 102.526 11.988 -4.506 1.00 1.00 H new ATOM 0 HB2 TYR A 109 100.470 12.316 -2.277 1.00 1.00 H new ATOM 0 HB3 TYR A 109 100.158 12.867 -3.911 1.00 1.00 H new ATOM 0 HD1 TYR A 109 100.247 10.039 -1.730 1.00 1.00 H new ATOM 0 HD2 TYR A 109 100.573 11.141 -5.862 1.00 1.00 H new ATOM 0 HE1 TYR A 109 99.819 7.716 -2.383 1.00 1.00 H new ATOM 0 HE2 TYR A 109 100.144 8.786 -6.518 1.00 1.00 H new ATOM 0 HH TYR A 109 99.750 6.695 -5.783 1.00 1.00 H new ATOM 1571 N GLY A 110 103.566 14.296 -2.787 1.00 1.00 N ATOM 1572 CA GLY A 110 103.987 15.704 -2.802 1.00 1.00 C ATOM 1573 C GLY A 110 103.728 16.418 -1.476 1.00 1.00 C ATOM 1574 O GLY A 110 102.937 15.960 -0.651 1.00 1.00 O ATOM 0 H GLY A 110 104.085 13.702 -2.140 1.00 1.00 H new ATOM 0 HA2 GLY A 110 105.050 15.757 -3.035 1.00 1.00 H new ATOM 0 HA3 GLY A 110 103.459 16.227 -3.599 1.00 1.00 H new ATOM 1578 N PRO A 111 104.373 17.548 -1.283 1.00 1.00 N ATOM 1579 CA PRO A 111 104.219 18.390 -0.058 1.00 1.00 C ATOM 1580 C PRO A 111 102.908 19.166 -0.090 1.00 1.00 C ATOM 1581 O PRO A 111 102.518 19.807 0.884 1.00 1.00 O ATOM 1582 CB PRO A 111 105.413 19.334 -0.142 1.00 1.00 C ATOM 1583 CG PRO A 111 105.606 19.529 -1.603 1.00 1.00 C ATOM 1584 CD PRO A 111 105.327 18.165 -2.226 1.00 1.00 C ATOM 0 HA PRO A 111 104.192 17.809 0.864 1.00 1.00 H new ATOM 0 HB2 PRO A 111 105.214 20.278 0.365 1.00 1.00 H new ATOM 0 HB3 PRO A 111 106.298 18.902 0.325 1.00 1.00 H new ATOM 0 HG2 PRO A 111 104.926 20.287 -1.993 1.00 1.00 H new ATOM 0 HG3 PRO A 111 106.619 19.864 -1.826 1.00 1.00 H new ATOM 0 HD2 PRO A 111 104.901 18.259 -3.225 1.00 1.00 H new ATOM 0 HD3 PRO A 111 106.237 17.573 -2.322 1.00 1.00 H new ATOM 1592 N ARG A 112 102.247 19.123 -1.239 1.00 1.00 N ATOM 1593 CA ARG A 112 100.984 19.829 -1.426 1.00 1.00 C ATOM 1594 C ARG A 112 99.846 18.820 -1.505 1.00 1.00 C ATOM 1595 O ARG A 112 100.085 17.621 -1.622 1.00 1.00 O ATOM 1596 CB ARG A 112 101.053 20.643 -2.730 1.00 1.00 C ATOM 1597 CG ARG A 112 100.075 21.819 -2.668 1.00 1.00 C ATOM 1598 CD ARG A 112 100.148 22.613 -3.971 1.00 1.00 C ATOM 1599 NE ARG A 112 99.379 23.848 -3.849 1.00 1.00 N ATOM 1600 CZ ARG A 112 98.064 23.859 -4.047 1.00 1.00 C ATOM 1601 NH1 ARG A 112 97.441 22.747 -4.326 1.00 1.00 N ATOM 1602 NH2 ARG A 112 97.397 24.978 -3.955 1.00 1.00 N ATOM 0 H ARG A 112 102.565 18.605 -2.059 1.00 1.00 H new ATOM 0 HA ARG A 112 100.806 20.501 -0.587 1.00 1.00 H new ATOM 0 HB2 ARG A 112 102.067 21.011 -2.885 1.00 1.00 H new ATOM 0 HB3 ARG A 112 100.812 20.004 -3.580 1.00 1.00 H new ATOM 0 HG2 ARG A 112 99.060 21.454 -2.509 1.00 1.00 H new ATOM 0 HG3 ARG A 112 100.318 22.463 -1.823 1.00 1.00 H new ATOM 0 HD2 ARG A 112 101.187 22.844 -4.208 1.00 1.00 H new ATOM 0 HD3 ARG A 112 99.759 22.013 -4.794 1.00 1.00 H new ATOM 0 HE ARG A 112 99.858 24.716 -3.608 1.00 1.00 H new ATOM 0 HH11 ARG A 112 97.963 21.873 -4.392 1.00 1.00 H new ATOM 0 HH12 ARG A 112 96.432 22.752 -4.478 1.00 1.00 H new ATOM 0 HH21 ARG A 112 97.885 25.845 -3.731 1.00 1.00 H new ATOM 0 HH22 ARG A 112 96.388 24.985 -4.107 1.00 1.00 H new ATOM 1616 N SER A 113 98.613 19.299 -1.447 1.00 1.00 N ATOM 1617 CA SER A 113 97.475 18.407 -1.534 1.00 1.00 C ATOM 1618 C SER A 113 97.321 17.932 -2.971 1.00 1.00 C ATOM 1619 O SER A 113 96.727 18.621 -3.799 1.00 1.00 O ATOM 1620 CB SER A 113 96.216 19.141 -1.081 1.00 1.00 C ATOM 1621 OG SER A 113 96.571 20.049 -0.053 1.00 1.00 O ATOM 0 H SER A 113 98.380 20.286 -1.342 1.00 1.00 H new ATOM 0 HA SER A 113 97.630 17.543 -0.887 1.00 1.00 H new ATOM 0 HB2 SER A 113 95.766 19.674 -1.919 1.00 1.00 H new ATOM 0 HB3 SER A 113 95.473 18.431 -0.719 1.00 1.00 H new ATOM 0 HG SER A 113 96.079 20.888 -0.173 1.00 1.00 H new ATOM 1627 N VAL A 114 97.863 16.752 -3.262 1.00 1.00 N ATOM 1628 CA VAL A 114 97.785 16.195 -4.619 1.00 1.00 C ATOM 1629 C VAL A 114 96.888 14.963 -4.638 1.00 1.00 C ATOM 1630 O VAL A 114 97.330 13.868 -4.989 1.00 1.00 O ATOM 1631 CB VAL A 114 99.185 15.826 -5.123 1.00 1.00 C ATOM 1632 CG1 VAL A 114 99.138 15.567 -6.632 1.00 1.00 C ATOM 1633 CG2 VAL A 114 100.162 16.973 -4.831 1.00 1.00 C ATOM 0 H VAL A 114 98.356 16.166 -2.589 1.00 1.00 H new ATOM 0 HA VAL A 114 97.358 16.952 -5.277 1.00 1.00 H new ATOM 0 HB VAL A 114 99.523 14.925 -4.610 1.00 1.00 H new ATOM 0 HG11 VAL A 114 100.135 15.305 -6.987 1.00 1.00 H new ATOM 0 HG12 VAL A 114 98.451 14.746 -6.839 1.00 1.00 H new ATOM 0 HG13 VAL A 114 98.795 16.465 -7.145 1.00 1.00 H new ATOM 0 HG21 VAL A 114 101.155 16.705 -5.191 1.00 1.00 H new ATOM 0 HG22 VAL A 114 99.824 17.877 -5.337 1.00 1.00 H new ATOM 0 HG23 VAL A 114 100.202 17.152 -3.757 1.00 1.00 H new ATOM 1637 N GLY A 115 95.626 15.148 -4.264 1.00 1.00 N ATOM 1638 CA GLY A 115 94.680 14.041 -4.250 1.00 1.00 C ATOM 1639 C GLY A 115 93.382 14.429 -3.551 1.00 1.00 C ATOM 1640 O GLY A 115 93.278 15.503 -2.957 1.00 1.00 O ATOM 0 H GLY A 115 95.239 16.045 -3.970 1.00 1.00 H new ATOM 0 HA2 GLY A 115 94.466 13.730 -5.273 1.00 1.00 H new ATOM 0 HA3 GLY A 115 95.126 13.185 -3.744 1.00 1.00 H new ATOM 1644 N GLY A 116 92.400 13.539 -3.624 1.00 1.00 N ATOM 1645 CA GLY A 116 91.103 13.771 -2.996 1.00 1.00 C ATOM 1646 C GLY A 116 91.261 14.140 -1.514 1.00 1.00 C ATOM 1647 O GLY A 116 91.587 15.284 -1.197 1.00 1.00 O ATOM 0 H GLY A 116 92.477 12.647 -4.113 1.00 1.00 H new ATOM 0 HA2 GLY A 116 90.581 14.572 -3.519 1.00 1.00 H new ATOM 0 HA3 GLY A 116 90.487 12.876 -3.087 1.00 1.00 H new ATOM 1651 N PRO A 117 91.005 13.227 -0.600 1.00 1.00 N ATOM 1652 CA PRO A 117 91.088 13.505 0.866 1.00 1.00 C ATOM 1653 C PRO A 117 92.465 13.986 1.265 1.00 1.00 C ATOM 1654 O PRO A 117 92.684 14.455 2.381 1.00 1.00 O ATOM 1655 CB PRO A 117 90.730 12.172 1.526 1.00 1.00 C ATOM 1656 CG PRO A 117 91.012 11.161 0.475 1.00 1.00 C ATOM 1657 CD PRO A 117 90.637 11.823 -0.834 1.00 1.00 C ATOM 0 HA PRO A 117 90.416 14.305 1.175 1.00 1.00 H new ATOM 0 HB2 PRO A 117 91.329 11.996 2.420 1.00 1.00 H new ATOM 0 HB3 PRO A 117 89.684 12.147 1.833 1.00 1.00 H new ATOM 0 HG2 PRO A 117 92.063 10.871 0.481 1.00 1.00 H new ATOM 0 HG3 PRO A 117 90.430 10.254 0.637 1.00 1.00 H new ATOM 0 HD2 PRO A 117 91.183 11.396 -1.675 1.00 1.00 H new ATOM 0 HD3 PRO A 117 89.575 11.713 -1.054 1.00 1.00 H new ATOM 1665 N ILE A 118 93.383 13.851 0.338 1.00 1.00 N ATOM 1666 CA ILE A 118 94.746 14.256 0.574 1.00 1.00 C ATOM 1667 C ILE A 118 94.798 15.763 0.721 1.00 1.00 C ATOM 1668 O ILE A 118 94.320 16.501 -0.139 1.00 1.00 O ATOM 1669 CB ILE A 118 95.618 13.848 -0.604 1.00 1.00 C ATOM 1670 CG1 ILE A 118 95.236 12.423 -1.008 1.00 1.00 C ATOM 1671 CG2 ILE A 118 97.098 13.917 -0.181 1.00 1.00 C ATOM 1672 CD1 ILE A 118 95.366 11.469 0.169 1.00 1.00 C ATOM 0 H ILE A 118 93.209 13.463 -0.589 1.00 1.00 H new ATOM 0 HA ILE A 118 95.111 13.775 1.482 1.00 1.00 H new ATOM 0 HB ILE A 118 95.469 14.517 -1.452 1.00 1.00 H new ATOM 0 HG12 ILE A 118 94.212 12.409 -1.380 1.00 1.00 H new ATOM 0 HG13 ILE A 118 95.876 12.089 -1.824 1.00 1.00 H new ATOM 0 HG21 ILE A 118 97.730 13.626 -1.020 1.00 1.00 H new ATOM 0 HG22 ILE A 118 97.343 14.935 0.122 1.00 1.00 H new ATOM 0 HG23 ILE A 118 97.270 13.239 0.655 1.00 1.00 H new ATOM 0 HD11 ILE A 118 95.088 10.463 -0.146 1.00 1.00 H new ATOM 0 HD12 ILE A 118 96.397 11.467 0.524 1.00 1.00 H new ATOM 0 HD13 ILE A 118 94.706 11.792 0.974 1.00 1.00 H new ATOM 1679 N GLY A 119 95.363 16.202 1.827 1.00 1.00 N ATOM 1680 CA GLY A 119 95.474 17.611 2.125 1.00 1.00 C ATOM 1681 C GLY A 119 96.880 18.119 1.865 1.00 1.00 C ATOM 1682 O GLY A 119 97.744 17.385 1.405 1.00 1.00 O ATOM 0 H GLY A 119 95.757 15.591 2.542 1.00 1.00 H new ATOM 0 HA2 GLY A 119 94.764 18.171 1.516 1.00 1.00 H new ATOM 0 HA3 GLY A 119 95.208 17.787 3.167 1.00 1.00 H new ATOM 1686 N PRO A 120 97.130 19.352 2.173 1.00 1.00 N ATOM 1687 CA PRO A 120 98.483 19.959 2.006 1.00 1.00 C ATOM 1688 C PRO A 120 99.532 19.261 2.883 1.00 1.00 C ATOM 1689 O PRO A 120 99.249 18.911 4.020 1.00 1.00 O ATOM 1690 CB PRO A 120 98.285 21.416 2.464 1.00 1.00 C ATOM 1691 CG PRO A 120 97.034 21.397 3.288 1.00 1.00 C ATOM 1692 CD PRO A 120 96.151 20.317 2.698 1.00 1.00 C ATOM 0 HA PRO A 120 98.850 19.871 0.983 1.00 1.00 H new ATOM 0 HB2 PRO A 120 99.137 21.765 3.048 1.00 1.00 H new ATOM 0 HB3 PRO A 120 98.186 22.088 1.611 1.00 1.00 H new ATOM 0 HG2 PRO A 120 97.260 21.186 4.333 1.00 1.00 H new ATOM 0 HG3 PRO A 120 96.535 22.366 3.259 1.00 1.00 H new ATOM 0 HD2 PRO A 120 95.503 19.868 3.450 1.00 1.00 H new ATOM 0 HD3 PRO A 120 95.505 20.707 1.912 1.00 1.00 H new ATOM 1700 N ASN A 121 100.748 19.098 2.370 1.00 1.00 N ATOM 1701 CA ASN A 121 101.820 18.477 3.159 1.00 1.00 C ATOM 1702 C ASN A 121 101.324 17.218 3.865 1.00 1.00 C ATOM 1703 O ASN A 121 101.426 17.099 5.085 1.00 1.00 O ATOM 1704 CB ASN A 121 102.342 19.488 4.194 1.00 1.00 C ATOM 1705 CG ASN A 121 103.786 19.167 4.571 1.00 1.00 C ATOM 1706 OD1 ASN A 121 104.570 20.071 4.861 1.00 1.00 O ATOM 1707 ND2 ASN A 121 104.187 17.927 4.579 1.00 1.00 N ATOM 0 H ASN A 121 101.018 19.380 1.428 1.00 1.00 H new ATOM 0 HA ASN A 121 102.627 18.189 2.485 1.00 1.00 H new ATOM 0 HB2 ASN A 121 102.281 20.498 3.788 1.00 1.00 H new ATOM 0 HB3 ASN A 121 101.713 19.464 5.084 1.00 1.00 H new ATOM 0 HD21 ASN A 121 105.151 17.704 4.826 1.00 1.00 H new ATOM 0 HD22 ASN A 121 103.536 17.179 4.339 1.00 1.00 H new ATOM 1714 N GLU A 122 100.780 16.290 3.086 1.00 1.00 N ATOM 1715 CA GLU A 122 100.247 15.037 3.620 1.00 1.00 C ATOM 1716 C GLU A 122 101.209 13.878 3.385 1.00 1.00 C ATOM 1717 O GLU A 122 101.658 13.643 2.263 1.00 1.00 O ATOM 1718 CB GLU A 122 98.910 14.758 2.920 1.00 1.00 C ATOM 1719 CG GLU A 122 97.882 14.098 3.836 1.00 1.00 C ATOM 1720 CD GLU A 122 97.514 15.013 4.999 1.00 1.00 C ATOM 1721 OE1 GLU A 122 98.060 14.820 6.072 1.00 1.00 O ATOM 1722 OE2 GLU A 122 96.682 15.882 4.799 1.00 1.00 O ATOM 0 H GLU A 122 100.695 16.381 2.074 1.00 1.00 H new ATOM 0 HA GLU A 122 100.110 15.131 4.697 1.00 1.00 H new ATOM 0 HB2 GLU A 122 98.502 15.695 2.541 1.00 1.00 H new ATOM 0 HB3 GLU A 122 99.085 14.115 2.057 1.00 1.00 H new ATOM 0 HG2 GLU A 122 96.986 13.853 3.265 1.00 1.00 H new ATOM 0 HG3 GLU A 122 98.282 13.160 4.220 1.00 1.00 H new ATOM 1729 N THR A 123 101.481 13.136 4.451 1.00 1.00 N ATOM 1730 CA THR A 123 102.347 11.965 4.370 1.00 1.00 C ATOM 1731 C THR A 123 101.466 10.741 4.193 1.00 1.00 C ATOM 1732 O THR A 123 100.508 10.550 4.939 1.00 1.00 O ATOM 1733 CB THR A 123 103.178 11.823 5.648 1.00 1.00 C ATOM 1734 OG1 THR A 123 104.091 12.905 5.752 1.00 1.00 O ATOM 1735 CG2 THR A 123 103.963 10.508 5.618 1.00 1.00 C ATOM 0 H THR A 123 101.114 13.324 5.384 1.00 1.00 H new ATOM 0 HA THR A 123 103.033 12.069 3.529 1.00 1.00 H new ATOM 0 HB THR A 123 102.505 11.827 6.506 1.00 1.00 H new ATOM 0 HG1 THR A 123 104.383 12.998 6.683 1.00 1.00 H new ATOM 0 HG21 THR A 123 104.552 10.415 6.531 1.00 1.00 H new ATOM 0 HG22 THR A 123 103.268 9.671 5.547 1.00 1.00 H new ATOM 0 HG23 THR A 123 104.629 10.501 4.755 1.00 1.00 H new ATOM 1743 N LEU A 124 101.776 9.909 3.205 1.00 1.00 N ATOM 1744 CA LEU A 124 100.982 8.704 2.954 1.00 1.00 C ATOM 1745 C LEU A 124 101.787 7.442 3.256 1.00 1.00 C ATOM 1746 O LEU A 124 103.004 7.401 3.083 1.00 1.00 O ATOM 1747 CB LEU A 124 100.532 8.645 1.485 1.00 1.00 C ATOM 1748 CG LEU A 124 99.662 9.859 1.068 1.00 1.00 C ATOM 1749 CD1 LEU A 124 98.694 10.267 2.167 1.00 1.00 C ATOM 1750 CD2 LEU A 124 100.531 11.063 0.714 1.00 1.00 C ATOM 0 H LEU A 124 102.562 10.041 2.569 1.00 1.00 H new ATOM 0 HA LEU A 124 100.113 8.751 3.610 1.00 1.00 H new ATOM 0 HB2 LEU A 124 101.412 8.598 0.843 1.00 1.00 H new ATOM 0 HB3 LEU A 124 99.968 7.727 1.320 1.00 1.00 H new ATOM 0 HG LEU A 124 99.094 9.543 0.193 1.00 1.00 H new ATOM 0 HD11 LEU A 124 98.104 11.121 1.834 1.00 1.00 H new ATOM 0 HD12 LEU A 124 98.030 9.433 2.395 1.00 1.00 H new ATOM 0 HD13 LEU A 124 99.253 10.540 3.062 1.00 1.00 H new ATOM 0 HD21 LEU A 124 99.894 11.899 0.425 1.00 1.00 H new ATOM 0 HD22 LEU A 124 101.131 11.346 1.579 1.00 1.00 H new ATOM 0 HD23 LEU A 124 101.189 10.805 -0.116 1.00 1.00 H new ATOM 1762 N ILE A 125 101.070 6.406 3.690 1.00 1.00 N ATOM 1763 CA ILE A 125 101.656 5.111 4.006 1.00 1.00 C ATOM 1764 C ILE A 125 100.945 4.055 3.199 1.00 1.00 C ATOM 1765 O ILE A 125 99.759 4.184 2.928 1.00 1.00 O ATOM 1766 CB ILE A 125 101.478 4.791 5.500 1.00 1.00 C ATOM 1767 CG1 ILE A 125 101.644 3.269 5.736 1.00 1.00 C ATOM 1768 CG2 ILE A 125 100.075 5.206 5.933 1.00 1.00 C ATOM 1769 CD1 ILE A 125 101.787 2.933 7.213 1.00 1.00 C ATOM 0 H ILE A 125 100.061 6.445 3.832 1.00 1.00 H new ATOM 0 HA ILE A 125 102.720 5.132 3.771 1.00 1.00 H new ATOM 0 HB ILE A 125 102.228 5.332 6.076 1.00 1.00 H new ATOM 0 HG12 ILE A 125 100.782 2.743 5.326 1.00 1.00 H new ATOM 0 HG13 ILE A 125 102.521 2.912 5.197 1.00 1.00 H new ATOM 0 HG21 ILE A 125 99.940 4.983 6.991 1.00 1.00 H new ATOM 0 HG22 ILE A 125 99.945 6.276 5.768 1.00 1.00 H new ATOM 0 HG23 ILE A 125 99.337 4.657 5.349 1.00 1.00 H new ATOM 0 HD11 ILE A 125 101.901 1.855 7.332 1.00 1.00 H new ATOM 0 HD12 ILE A 125 102.665 3.437 7.618 1.00 1.00 H new ATOM 0 HD13 ILE A 125 100.898 3.265 7.749 1.00 1.00 H new ATOM 1776 N PHE A 126 101.660 2.992 2.848 1.00 1.00 N ATOM 1777 CA PHE A 126 101.047 1.904 2.106 1.00 1.00 C ATOM 1778 C PHE A 126 101.543 0.555 2.586 1.00 1.00 C ATOM 1779 O PHE A 126 102.698 0.408 2.987 1.00 1.00 O ATOM 1780 CB PHE A 126 101.352 2.002 0.611 1.00 1.00 C ATOM 1781 CG PHE A 126 101.338 3.434 0.170 1.00 1.00 C ATOM 1782 CD1 PHE A 126 100.335 3.900 -0.683 1.00 1.00 C ATOM 1783 CD2 PHE A 126 102.341 4.295 0.610 1.00 1.00 C ATOM 1784 CE1 PHE A 126 100.339 5.233 -1.093 1.00 1.00 C ATOM 1785 CE2 PHE A 126 102.343 5.622 0.202 1.00 1.00 C ATOM 1786 CZ PHE A 126 101.348 6.096 -0.643 1.00 1.00 C ATOM 0 H PHE A 126 102.649 2.863 3.062 1.00 1.00 H new ATOM 0 HA PHE A 126 99.974 1.991 2.276 1.00 1.00 H new ATOM 0 HB2 PHE A 126 102.326 1.560 0.402 1.00 1.00 H new ATOM 0 HB3 PHE A 126 100.615 1.433 0.045 1.00 1.00 H new ATOM 0 HD1 PHE A 126 99.559 3.230 -1.024 1.00 1.00 H new ATOM 0 HD2 PHE A 126 103.116 3.931 1.268 1.00 1.00 H new ATOM 0 HE1 PHE A 126 99.568 5.599 -1.755 1.00 1.00 H new ATOM 0 HE2 PHE A 126 103.121 6.288 0.543 1.00 1.00 H new ATOM 0 HZ PHE A 126 101.352 7.130 -0.954 1.00 1.00 H new ATOM 1796 N LYS A 127 100.680 -0.448 2.472 1.00 1.00 N ATOM 1797 CA LYS A 127 101.050 -1.794 2.819 1.00 1.00 C ATOM 1798 C LYS A 127 101.372 -2.456 1.502 1.00 1.00 C ATOM 1799 O LYS A 127 100.575 -2.363 0.581 1.00 1.00 O ATOM 1800 CB LYS A 127 99.890 -2.537 3.526 1.00 1.00 C ATOM 1801 CG LYS A 127 98.844 -1.558 4.068 1.00 1.00 C ATOM 1802 CD LYS A 127 99.444 -0.627 5.137 1.00 1.00 C ATOM 1803 CE LYS A 127 98.352 0.308 5.659 1.00 1.00 C ATOM 1804 NZ LYS A 127 98.920 1.200 6.710 1.00 1.00 N ATOM 0 H LYS A 127 99.721 -0.343 2.141 1.00 1.00 H new ATOM 0 HA LYS A 127 101.889 -1.812 3.515 1.00 1.00 H new ATOM 0 HB2 LYS A 127 99.417 -3.225 2.826 1.00 1.00 H new ATOM 0 HB3 LYS A 127 100.287 -3.138 4.345 1.00 1.00 H new ATOM 0 HG2 LYS A 127 98.443 -0.962 3.248 1.00 1.00 H new ATOM 0 HG3 LYS A 127 98.010 -2.115 4.495 1.00 1.00 H new ATOM 0 HD2 LYS A 127 99.859 -1.214 5.956 1.00 1.00 H new ATOM 0 HD3 LYS A 127 100.264 -0.047 4.713 1.00 1.00 H new ATOM 0 HE2 LYS A 127 97.948 0.904 4.841 1.00 1.00 H new ATOM 0 HE3 LYS A 127 97.526 -0.273 6.068 1.00 1.00 H new ATOM 0 HZ1 LYS A 127 98.328 1.152 7.563 1.00 1.00 H new ATOM 0 HZ2 LYS A 127 99.886 0.892 6.941 1.00 1.00 H new ATOM 0 HZ3 LYS A 127 98.943 2.179 6.359 1.00 1.00 H new ATOM 1818 N ILE A 128 102.545 -3.068 1.371 1.00 1.00 N ATOM 1819 CA ILE A 128 102.900 -3.670 0.080 1.00 1.00 C ATOM 1820 C ILE A 128 103.174 -5.161 0.199 1.00 1.00 C ATOM 1821 O ILE A 128 104.067 -5.601 0.922 1.00 1.00 O ATOM 1822 CB ILE A 128 104.114 -2.944 -0.537 1.00 1.00 C ATOM 1823 CG1 ILE A 128 104.041 -1.444 -0.190 1.00 1.00 C ATOM 1824 CG2 ILE A 128 104.050 -3.093 -2.057 1.00 1.00 C ATOM 1825 CD1 ILE A 128 105.266 -0.703 -0.739 1.00 1.00 C ATOM 0 H ILE A 128 103.245 -3.162 2.107 1.00 1.00 H new ATOM 0 HA ILE A 128 102.041 -3.552 -0.581 1.00 1.00 H new ATOM 0 HB ILE A 128 105.038 -3.371 -0.147 1.00 1.00 H new ATOM 0 HG12 ILE A 128 103.131 -1.013 -0.607 1.00 1.00 H new ATOM 0 HG13 ILE A 128 103.987 -1.318 0.891 1.00 1.00 H new ATOM 0 HG21 ILE A 128 104.902 -2.585 -2.509 1.00 1.00 H new ATOM 0 HG22 ILE A 128 104.077 -4.150 -2.320 1.00 1.00 H new ATOM 0 HG23 ILE A 128 103.125 -2.650 -2.427 1.00 1.00 H new ATOM 0 HD11 ILE A 128 105.196 0.354 -0.484 1.00 1.00 H new ATOM 0 HD12 ILE A 128 106.172 -1.123 -0.301 1.00 1.00 H new ATOM 0 HD13 ILE A 128 105.302 -0.813 -1.823 1.00 1.00 H new ATOM 1832 N HIS A 129 102.387 -5.921 -0.557 1.00 1.00 N ATOM 1833 CA HIS A 129 102.503 -7.379 -0.609 1.00 1.00 C ATOM 1834 C HIS A 129 102.959 -7.779 -1.999 1.00 1.00 C ATOM 1835 O HIS A 129 102.296 -7.458 -2.975 1.00 1.00 O ATOM 1836 CB HIS A 129 101.145 -8.013 -0.315 1.00 1.00 C ATOM 1837 CG HIS A 129 101.214 -9.491 -0.577 1.00 1.00 C ATOM 1838 ND1 HIS A 129 100.139 -10.182 -1.104 1.00 1.00 N ATOM 1839 CD2 HIS A 129 102.229 -10.414 -0.440 1.00 1.00 C ATOM 1840 CE1 HIS A 129 100.519 -11.456 -1.276 1.00 1.00 C ATOM 1841 NE2 HIS A 129 101.782 -11.656 -0.894 1.00 1.00 N ATOM 0 H HIS A 129 101.649 -5.545 -1.152 1.00 1.00 H new ATOM 0 HA HIS A 129 103.223 -7.721 0.134 1.00 1.00 H new ATOM 0 HB2 HIS A 129 100.863 -7.830 0.722 1.00 1.00 H new ATOM 0 HB3 HIS A 129 100.376 -7.558 -0.940 1.00 1.00 H new ATOM 0 HD2 HIS A 129 103.213 -10.209 -0.045 1.00 1.00 H new ATOM 0 HE1 HIS A 129 99.879 -12.229 -1.676 1.00 1.00 H new ATOM 0 HE2 HIS A 129 102.308 -12.529 -0.927 1.00 1.00 H new ATOM 1849 N LEU A 130 104.101 -8.455 -2.102 1.00 1.00 N ATOM 1850 CA LEU A 130 104.613 -8.832 -3.422 1.00 1.00 C ATOM 1851 C LEU A 130 104.148 -10.230 -3.856 1.00 1.00 C ATOM 1852 O LEU A 130 104.567 -11.237 -3.286 1.00 1.00 O ATOM 1853 CB LEU A 130 106.155 -8.767 -3.414 1.00 1.00 C ATOM 1854 CG LEU A 130 106.674 -7.956 -4.611 1.00 1.00 C ATOM 1855 CD1 LEU A 130 108.203 -7.841 -4.553 1.00 1.00 C ATOM 1856 CD2 LEU A 130 106.274 -8.643 -5.919 1.00 1.00 C ATOM 0 H LEU A 130 104.677 -8.747 -1.313 1.00 1.00 H new ATOM 0 HA LEU A 130 104.210 -8.123 -4.146 1.00 1.00 H new ATOM 0 HB2 LEU A 130 106.499 -8.313 -2.485 1.00 1.00 H new ATOM 0 HB3 LEU A 130 106.566 -9.776 -3.447 1.00 1.00 H new ATOM 0 HG LEU A 130 106.235 -6.959 -4.569 1.00 1.00 H new ATOM 0 HD11 LEU A 130 108.557 -7.264 -5.407 1.00 1.00 H new ATOM 0 HD12 LEU A 130 108.495 -7.340 -3.630 1.00 1.00 H new ATOM 0 HD13 LEU A 130 108.644 -8.837 -4.580 1.00 1.00 H new ATOM 0 HD21 LEU A 130 106.645 -8.062 -6.763 1.00 1.00 H new ATOM 0 HD22 LEU A 130 106.704 -9.644 -5.950 1.00 1.00 H new ATOM 0 HD23 LEU A 130 105.188 -8.712 -5.976 1.00 1.00 H new ATOM 1868 N ILE A 131 103.293 -10.276 -4.885 1.00 1.00 N ATOM 1869 CA ILE A 131 102.786 -11.537 -5.410 1.00 1.00 C ATOM 1870 C ILE A 131 103.637 -12.027 -6.590 1.00 1.00 C ATOM 1871 O ILE A 131 103.981 -13.206 -6.658 1.00 1.00 O ATOM 1872 CB ILE A 131 101.324 -11.349 -5.849 1.00 1.00 C ATOM 1873 CG1 ILE A 131 100.433 -11.094 -4.620 1.00 1.00 C ATOM 1874 CG2 ILE A 131 100.831 -12.616 -6.536 1.00 1.00 C ATOM 1875 CD1 ILE A 131 100.447 -9.631 -4.216 1.00 1.00 C ATOM 0 H ILE A 131 102.941 -9.449 -5.367 1.00 1.00 H new ATOM 0 HA ILE A 131 102.841 -12.292 -4.626 1.00 1.00 H new ATOM 0 HB ILE A 131 101.272 -10.500 -6.531 1.00 1.00 H new ATOM 0 HG12 ILE A 131 99.411 -11.402 -4.840 1.00 1.00 H new ATOM 0 HG13 ILE A 131 100.778 -11.706 -3.786 1.00 1.00 H new ATOM 0 HG21 ILE A 131 99.795 -12.482 -6.847 1.00 1.00 H new ATOM 0 HG22 ILE A 131 101.449 -12.819 -7.411 1.00 1.00 H new ATOM 0 HG23 ILE A 131 100.896 -13.455 -5.843 1.00 1.00 H new ATOM 0 HD11 ILE A 131 99.807 -9.488 -3.345 1.00 1.00 H new ATOM 0 HD12 ILE A 131 101.466 -9.331 -3.971 1.00 1.00 H new ATOM 0 HD13 ILE A 131 100.078 -9.022 -5.041 1.00 1.00 H new ATOM 1882 N SER A 132 103.974 -11.126 -7.523 1.00 1.00 N ATOM 1883 CA SER A 132 104.783 -11.511 -8.689 1.00 1.00 C ATOM 1884 C SER A 132 105.621 -10.333 -9.188 1.00 1.00 C ATOM 1885 O SER A 132 105.289 -9.174 -8.943 1.00 1.00 O ATOM 1886 CB SER A 132 103.874 -12.005 -9.819 1.00 1.00 C ATOM 1887 OG SER A 132 103.454 -10.899 -10.603 1.00 1.00 O ATOM 0 H SER A 132 103.705 -10.142 -7.496 1.00 1.00 H new ATOM 0 HA SER A 132 105.456 -12.312 -8.383 1.00 1.00 H new ATOM 0 HB2 SER A 132 104.407 -12.725 -10.441 1.00 1.00 H new ATOM 0 HB3 SER A 132 103.008 -12.521 -9.405 1.00 1.00 H new ATOM 0 HG SER A 132 102.873 -11.213 -11.327 1.00 1.00 H new ATOM 1893 N VAL A 133 106.731 -10.642 -9.872 1.00 1.00 N ATOM 1894 CA VAL A 133 107.639 -9.610 -10.384 1.00 1.00 C ATOM 1895 C VAL A 133 107.932 -9.815 -11.864 1.00 1.00 C ATOM 1896 O VAL A 133 108.141 -10.940 -12.317 1.00 1.00 O ATOM 1897 CB VAL A 133 108.958 -9.653 -9.616 1.00 1.00 C ATOM 1898 CG1 VAL A 133 109.861 -8.519 -10.105 1.00 1.00 C ATOM 1899 CG2 VAL A 133 108.656 -9.473 -8.142 1.00 1.00 C ATOM 0 H VAL A 133 107.020 -11.597 -10.083 1.00 1.00 H new ATOM 0 HA VAL A 133 107.152 -8.644 -10.250 1.00 1.00 H new ATOM 0 HB VAL A 133 109.465 -10.605 -9.777 1.00 1.00 H new ATOM 0 HG11 VAL A 133 110.805 -8.545 -9.560 1.00 1.00 H new ATOM 0 HG12 VAL A 133 110.054 -8.641 -11.171 1.00 1.00 H new ATOM 0 HG13 VAL A 133 109.369 -7.562 -9.933 1.00 1.00 H new ATOM 0 HG21 VAL A 133 109.586 -9.501 -7.574 1.00 1.00 H new ATOM 0 HG22 VAL A 133 108.164 -8.513 -7.986 1.00 1.00 H new ATOM 0 HG23 VAL A 133 108.001 -10.276 -7.804 1.00 1.00 H new ATOM 1903 N LYS A 134 107.962 -8.714 -12.608 1.00 1.00 N ATOM 1904 CA LYS A 134 108.251 -8.761 -14.030 1.00 1.00 C ATOM 1905 C LYS A 134 109.736 -8.485 -14.273 1.00 1.00 C ATOM 1906 O LYS A 134 110.589 -8.761 -13.431 1.00 1.00 O ATOM 1907 CB LYS A 134 107.427 -7.691 -14.752 1.00 1.00 C ATOM 1908 CG LYS A 134 107.085 -8.135 -16.186 1.00 1.00 C ATOM 1909 CD LYS A 134 105.835 -9.013 -16.168 1.00 1.00 C ATOM 1910 CE LYS A 134 105.590 -9.587 -17.566 1.00 1.00 C ATOM 1911 NZ LYS A 134 105.107 -8.505 -18.469 1.00 1.00 N ATOM 0 H LYS A 134 107.789 -7.777 -12.245 1.00 1.00 H new ATOM 0 HA LYS A 134 107.997 -9.751 -14.409 1.00 1.00 H new ATOM 0 HB2 LYS A 134 106.508 -7.499 -14.198 1.00 1.00 H new ATOM 0 HB3 LYS A 134 107.984 -6.755 -14.780 1.00 1.00 H new ATOM 0 HG2 LYS A 134 106.919 -7.262 -16.818 1.00 1.00 H new ATOM 0 HG3 LYS A 134 107.922 -8.685 -16.616 1.00 1.00 H new ATOM 0 HD2 LYS A 134 105.957 -9.822 -15.448 1.00 1.00 H new ATOM 0 HD3 LYS A 134 104.972 -8.429 -15.848 1.00 1.00 H new ATOM 0 HE2 LYS A 134 106.510 -10.020 -17.959 1.00 1.00 H new ATOM 0 HE3 LYS A 134 104.855 -10.390 -17.517 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 104.812 -8.917 -19.377 1.00 1.00 H new ATOM 0 HZ2 LYS A 134 104.298 -8.021 -18.029 1.00 1.00 H new ATOM 0 HZ3 LYS A 134 105.873 -7.821 -18.632 1.00 1.00 H new