USER MOD reduce.3.24.130724 H: found=0, std=0, add=1073, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1075 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 Single : A 8 SER OG : rot -36:sc= 0.167 USER MOD Single : A 9 HIS : no HE2:sc= -0.69 X(o=-0.69,f=-0.68) USER MOD Single : A 10 ASN : amide:sc= -1.59 K(o=-1.6,f=-4.7!) USER MOD Single : A 14 TYR OH : rot 67:sc= 1.21 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.559 X(o=-0.56,f=-0.65) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HE2:sc= 0.108 K(o=0.11,f=-2.1) USER MOD Single : A 44 TYR OH : rot -174:sc= 0.13 USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= -0.0705 (180deg=-0.401) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -0.085 (180deg=-0.39) USER MOD Single : A 51 TYR OH : rot 30:sc= 0 USER MOD Single : A 53 CYS SG : rot 180:sc= -0.505 USER MOD Single : A 56 SER OG : rot -1:sc= 0.278 USER MOD Single : A 57 SER OG : rot -130:sc=-0.00383 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00841) USER MOD Single : A 63 ASN : amide:sc= -0.0181 X(o=-0.018,f=-0.35) USER MOD Single : A 65 LYS NZ :NH3+ -148:sc= 1.8 (180deg=1.34) USER MOD Single : A 68 THR OG1 : rot -62:sc= 1.23 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.552 K(o=-0.55,f=0) USER MOD Single : A 77 ASN : amide:sc= -1.98! C(o=-2!,f=-1.8!) USER MOD Single : A 84 ASN : amide:sc= 1.13 K(o=1.1,f=-0.011) USER MOD Single : A 86 TYR OH : rot -130:sc= -0.0438 USER MOD Single : A 90 THR OG1 : rot -75:sc= 1.2 USER MOD Single : A 96 MET CE :methyl -133:sc= -0.126 (180deg=-1.85!) USER MOD Single : A 98 ASN : amide:sc=-0.00477 X(o=-0.0048,f=0) USER MOD Single : A 99 SER OG : rot -42:sc= 0.405 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -133:sc= 1.2 (180deg=-0.879) USER MOD Single : A 106 THR OG1 : rot 64:sc= 1.21 USER MOD Single : A 107 TYR OH : rot 53:sc= 0.219! USER MOD Single : A 111 ASN : amide:sc= -0.528 K(o=-0.53,f=-3.6!) USER MOD Single : A 112 LYS NZ :NH3+ -127:sc= 0.33 (180deg=-0.378) USER MOD Single : A 117 MET CE :methyl 159:sc= 0 (180deg=-0.269) USER MOD Single : A 130 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.017) USER MOD Single : A 133 LYS NZ :NH3+ -176:sc= 1.3 (180deg=1.22) USER MOD Single : A 137 THR OG1 : rot 82:sc= 1.34 USER MOD Single : A 140 LYS NZ :NH3+ 165:sc=-0.00967 (180deg=-0.239) USER MOD Single : A 141 MET CE :methyl -110:sc= -1.12 (180deg=-3.65!) USER MOD Single : A 145 ASN : amide:sc= -0.491 X(o=-0.49,f=0) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 ASN : amide:sc= -0.343 K(o=-0.34,f=-5.8!) USER MOD Single : A 149 ASN : amide:sc= -0.786 K(o=-0.79,f=0) USER MOD ----------------------------------------------------------------- ATOM 93 N SER A 8 8.127 -13.566 3.335 1.00 10.15 N ATOM 94 CA SER A 8 8.823 -12.638 2.483 1.00 31.04 C ATOM 95 C SER A 8 7.986 -11.388 2.268 1.00 30.42 C ATOM 96 O SER A 8 6.829 -11.446 1.833 1.00 60.42 O ATOM 97 CB SER A 8 9.163 -13.313 1.156 1.00 44.43 C ATOM 98 OG SER A 8 7.998 -13.869 0.557 1.00 63.21 O ATOM 0 HA SER A 8 9.754 -12.335 2.963 1.00 31.04 H new ATOM 0 HB2 SER A 8 9.614 -12.587 0.479 1.00 44.43 H new ATOM 0 HB3 SER A 8 9.902 -14.097 1.321 1.00 44.43 H new ATOM 0 HG SER A 8 7.407 -14.221 1.255 1.00 63.21 H new ATOM 104 N HIS A 9 8.565 -10.300 2.587 1.00 71.23 N ATOM 105 CA HIS A 9 7.925 -9.037 2.550 1.00 4.12 C ATOM 106 C HIS A 9 8.071 -8.401 1.208 1.00 41.24 C ATOM 107 O HIS A 9 9.000 -8.715 0.445 1.00 64.24 O ATOM 108 CB HIS A 9 8.502 -8.138 3.631 1.00 14.24 C ATOM 109 CG HIS A 9 8.216 -8.620 5.026 1.00 73.33 C ATOM 110 ND1 HIS A 9 9.043 -9.483 5.713 1.00 30.42 N ATOM 111 CD2 HIS A 9 7.189 -8.352 5.861 1.00 73.22 C ATOM 112 CE1 HIS A 9 8.537 -9.716 6.903 1.00 60.43 C ATOM 113 NE2 HIS A 9 7.416 -9.044 7.018 1.00 40.22 N ATOM 0 H HIS A 9 9.537 -10.256 2.894 1.00 71.23 H new ATOM 0 HA HIS A 9 6.861 -9.181 2.735 1.00 4.12 H new ATOM 0 HB2 HIS A 9 9.581 -8.065 3.494 1.00 14.24 H new ATOM 0 HB3 HIS A 9 8.097 -7.133 3.512 1.00 14.24 H new ATOM 0 HD1 HIS A 9 9.912 -9.879 5.354 1.00 30.42 H new ATOM 0 HD2 HIS A 9 6.345 -7.710 5.653 1.00 73.22 H new ATOM 0 HE1 HIS A 9 8.971 -10.353 7.659 1.00 60.43 H new ATOM 122 N ASN A 10 7.162 -7.529 0.923 1.00 50.24 N ATOM 123 CA ASN A 10 7.122 -6.803 -0.312 1.00 3.51 C ATOM 124 C ASN A 10 7.085 -5.343 0.039 1.00 11.34 C ATOM 125 O ASN A 10 6.316 -4.936 0.907 1.00 0.24 O ATOM 126 CB ASN A 10 5.853 -7.152 -1.114 1.00 4.24 C ATOM 127 CG ASN A 10 5.748 -8.587 -1.616 1.00 5.14 C ATOM 128 OD1 ASN A 10 6.269 -9.524 -1.022 1.00 25.32 O ATOM 129 ND2 ASN A 10 5.034 -8.768 -2.703 1.00 24.32 N ATOM 0 H ASN A 10 6.401 -7.292 1.560 1.00 50.24 H new ATOM 0 HA ASN A 10 7.990 -7.056 -0.921 1.00 3.51 H new ATOM 0 HB2 ASN A 10 4.985 -6.943 -0.489 1.00 4.24 H new ATOM 0 HB3 ASN A 10 5.796 -6.483 -1.973 1.00 4.24 H new ATOM 0 HD21 ASN A 10 4.901 -9.708 -3.075 1.00 24.32 H new ATOM 0 HD22 ASN A 10 4.613 -7.968 -3.175 1.00 24.32 H new ATOM 136 N VAL A 11 7.908 -4.560 -0.581 1.00 43.21 N ATOM 137 CA VAL A 11 7.942 -3.148 -0.276 1.00 30.52 C ATOM 138 C VAL A 11 7.607 -2.325 -1.507 1.00 41.14 C ATOM 139 O VAL A 11 8.283 -2.418 -2.533 1.00 51.35 O ATOM 140 CB VAL A 11 9.340 -2.721 0.270 1.00 33.33 C ATOM 141 CG1 VAL A 11 9.348 -1.248 0.646 1.00 33.21 C ATOM 142 CG2 VAL A 11 9.739 -3.574 1.469 1.00 11.23 C ATOM 0 H VAL A 11 8.566 -4.862 -1.299 1.00 43.21 H new ATOM 0 HA VAL A 11 7.194 -2.963 0.495 1.00 30.52 H new ATOM 0 HB VAL A 11 10.070 -2.879 -0.524 1.00 33.33 H new ATOM 0 HG11 VAL A 11 10.333 -0.974 1.024 1.00 33.21 H new ATOM 0 HG12 VAL A 11 9.117 -0.647 -0.233 1.00 33.21 H new ATOM 0 HG13 VAL A 11 8.600 -1.065 1.417 1.00 33.21 H new ATOM 0 HG21 VAL A 11 10.717 -3.257 1.832 1.00 11.23 H new ATOM 0 HG22 VAL A 11 9.001 -3.454 2.263 1.00 11.23 H new ATOM 0 HG23 VAL A 11 9.784 -4.622 1.171 1.00 11.23 H new ATOM 152 N PHE A 12 6.556 -1.546 -1.398 1.00 65.31 N ATOM 153 CA PHE A 12 6.172 -0.603 -2.418 1.00 51.31 C ATOM 154 C PHE A 12 6.855 0.669 -2.040 1.00 31.14 C ATOM 155 O PHE A 12 6.388 1.399 -1.166 1.00 25.41 O ATOM 156 CB PHE A 12 4.627 -0.398 -2.435 1.00 71.12 C ATOM 157 CG PHE A 12 4.098 0.583 -3.473 1.00 70.44 C ATOM 158 CD1 PHE A 12 4.080 1.947 -3.216 1.00 51.44 C ATOM 159 CD2 PHE A 12 3.610 0.138 -4.697 1.00 65.22 C ATOM 160 CE1 PHE A 12 3.599 2.834 -4.149 1.00 44.04 C ATOM 161 CE2 PHE A 12 3.128 1.025 -5.628 1.00 21.24 C ATOM 162 CZ PHE A 12 3.123 2.373 -5.358 1.00 25.13 C ATOM 0 H PHE A 12 5.937 -1.551 -0.587 1.00 65.31 H new ATOM 0 HA PHE A 12 6.452 -0.948 -3.413 1.00 51.31 H new ATOM 0 HB2 PHE A 12 4.153 -1.365 -2.603 1.00 71.12 H new ATOM 0 HB3 PHE A 12 4.314 -0.057 -1.448 1.00 71.12 H new ATOM 0 HD1 PHE A 12 4.449 2.316 -2.270 1.00 51.44 H new ATOM 0 HD2 PHE A 12 3.610 -0.919 -4.918 1.00 65.22 H new ATOM 0 HE1 PHE A 12 3.594 3.893 -3.935 1.00 44.04 H new ATOM 0 HE2 PHE A 12 2.752 0.663 -6.574 1.00 21.24 H new ATOM 0 HZ PHE A 12 2.747 3.070 -6.092 1.00 25.13 H new ATOM 172 N VAL A 13 7.967 0.923 -2.616 1.00 54.45 N ATOM 173 CA VAL A 13 8.707 2.058 -2.184 1.00 43.25 C ATOM 174 C VAL A 13 8.891 3.041 -3.283 1.00 2.35 C ATOM 175 O VAL A 13 9.424 2.725 -4.353 1.00 64.41 O ATOM 176 CB VAL A 13 10.075 1.684 -1.514 1.00 40.13 C ATOM 177 CG1 VAL A 13 11.000 0.943 -2.465 1.00 71.05 C ATOM 178 CG2 VAL A 13 10.765 2.912 -0.933 1.00 1.23 C ATOM 0 H VAL A 13 8.384 0.379 -3.371 1.00 54.45 H new ATOM 0 HA VAL A 13 8.107 2.531 -1.407 1.00 43.25 H new ATOM 0 HB VAL A 13 9.844 1.004 -0.694 1.00 40.13 H new ATOM 0 HG11 VAL A 13 11.933 0.706 -1.954 1.00 71.05 H new ATOM 0 HG12 VAL A 13 10.522 0.020 -2.793 1.00 71.05 H new ATOM 0 HG13 VAL A 13 11.209 1.570 -3.331 1.00 71.05 H new ATOM 0 HG21 VAL A 13 11.710 2.617 -0.477 1.00 1.23 H new ATOM 0 HG22 VAL A 13 10.956 3.633 -1.728 1.00 1.23 H new ATOM 0 HG23 VAL A 13 10.124 3.366 -0.178 1.00 1.23 H new ATOM 188 N TYR A 14 8.431 4.230 -3.050 1.00 41.24 N ATOM 189 CA TYR A 14 8.664 5.271 -3.968 1.00 64.45 C ATOM 190 C TYR A 14 9.940 5.961 -3.506 1.00 21.50 C ATOM 191 O TYR A 14 9.932 7.077 -2.990 1.00 24.32 O ATOM 192 CB TYR A 14 7.465 6.225 -4.050 1.00 14.33 C ATOM 193 CG TYR A 14 7.526 7.169 -5.219 1.00 24.10 C ATOM 194 CD1 TYR A 14 7.255 6.710 -6.503 1.00 51.03 C ATOM 195 CD2 TYR A 14 7.856 8.499 -5.057 1.00 53.54 C ATOM 196 CE1 TYR A 14 7.312 7.552 -7.583 1.00 4.50 C ATOM 197 CE2 TYR A 14 7.918 9.347 -6.137 1.00 21.15 C ATOM 198 CZ TYR A 14 7.645 8.868 -7.397 1.00 5.22 C ATOM 199 OH TYR A 14 7.707 9.711 -8.473 1.00 24.44 O ATOM 0 H TYR A 14 7.891 4.493 -2.225 1.00 41.24 H new ATOM 0 HA TYR A 14 8.786 4.894 -4.983 1.00 64.45 H new ATOM 0 HB2 TYR A 14 6.548 5.639 -4.115 1.00 14.33 H new ATOM 0 HB3 TYR A 14 7.408 6.804 -3.128 1.00 14.33 H new ATOM 0 HD1 TYR A 14 6.995 5.672 -6.652 1.00 51.03 H new ATOM 0 HD2 TYR A 14 8.068 8.879 -4.069 1.00 53.54 H new ATOM 0 HE1 TYR A 14 7.096 7.181 -8.574 1.00 4.50 H new ATOM 0 HE2 TYR A 14 8.180 10.385 -5.997 1.00 21.15 H new ATOM 0 HH TYR A 14 6.809 9.830 -8.848 1.00 24.44 H new ATOM 209 N GLY A 15 11.009 5.210 -3.612 1.00 14.41 N ATOM 210 CA GLY A 15 12.296 5.614 -3.168 1.00 70.43 C ATOM 211 C GLY A 15 13.333 5.057 -4.084 1.00 22.41 C ATOM 212 O GLY A 15 12.992 4.500 -5.134 1.00 64.21 O ATOM 0 H GLY A 15 10.994 4.277 -4.023 1.00 14.41 H new ATOM 0 HA2 GLY A 15 12.361 6.702 -3.146 1.00 70.43 H new ATOM 0 HA3 GLY A 15 12.468 5.264 -2.150 1.00 70.43 H new ATOM 216 N SER A 16 14.573 5.158 -3.714 1.00 14.24 N ATOM 217 CA SER A 16 15.618 4.753 -4.587 1.00 11.40 C ATOM 218 C SER A 16 15.965 3.271 -4.446 1.00 32.52 C ATOM 219 O SER A 16 16.826 2.879 -3.646 1.00 65.23 O ATOM 220 CB SER A 16 16.852 5.658 -4.447 1.00 55.14 C ATOM 221 OG SER A 16 17.845 5.359 -5.418 1.00 42.01 O ATOM 0 H SER A 16 14.881 5.519 -2.811 1.00 14.24 H new ATOM 0 HA SER A 16 15.243 4.875 -5.603 1.00 11.40 H new ATOM 0 HB2 SER A 16 16.550 6.701 -4.547 1.00 55.14 H new ATOM 0 HB3 SER A 16 17.275 5.543 -3.449 1.00 55.14 H new ATOM 0 HG SER A 16 18.612 5.957 -5.296 1.00 42.01 H new ATOM 227 N ILE A 17 15.207 2.464 -5.167 1.00 41.14 N ATOM 228 CA ILE A 17 15.466 1.050 -5.374 1.00 74.14 C ATOM 229 C ILE A 17 15.015 0.776 -6.800 1.00 24.22 C ATOM 230 O ILE A 17 15.799 0.886 -7.724 1.00 12.11 O ATOM 231 CB ILE A 17 14.673 0.076 -4.437 1.00 62.23 C ATOM 232 CG1 ILE A 17 14.866 0.382 -2.942 1.00 42.04 C ATOM 233 CG2 ILE A 17 15.161 -1.364 -4.717 1.00 0.34 C ATOM 234 CD1 ILE A 17 16.139 -0.130 -2.367 1.00 41.52 C ATOM 0 H ILE A 17 14.364 2.787 -5.642 1.00 41.14 H new ATOM 0 HA ILE A 17 16.519 0.866 -5.162 1.00 74.14 H new ATOM 0 HB ILE A 17 13.612 0.200 -4.653 1.00 62.23 H new ATOM 0 HG12 ILE A 17 14.825 1.461 -2.797 1.00 42.04 H new ATOM 0 HG13 ILE A 17 14.032 -0.047 -2.386 1.00 42.04 H new ATOM 0 HG21 ILE A 17 14.623 -2.062 -4.076 1.00 0.34 H new ATOM 0 HG22 ILE A 17 14.976 -1.614 -5.762 1.00 0.34 H new ATOM 0 HG23 ILE A 17 16.229 -1.433 -4.512 1.00 0.34 H new ATOM 0 HD11 ILE A 17 16.192 0.131 -1.310 1.00 41.52 H new ATOM 0 HD12 ILE A 17 16.178 -1.214 -2.476 1.00 41.52 H new ATOM 0 HD13 ILE A 17 16.982 0.318 -2.893 1.00 41.52 H new ATOM 246 N LEU A 18 13.687 0.517 -6.934 1.00 23.53 N ATOM 247 CA LEU A 18 12.922 0.287 -8.182 1.00 23.54 C ATOM 248 C LEU A 18 13.476 -0.764 -9.172 1.00 63.21 C ATOM 249 O LEU A 18 12.712 -1.551 -9.739 1.00 41.21 O ATOM 250 CB LEU A 18 12.566 1.606 -8.854 1.00 42.41 C ATOM 251 CG LEU A 18 11.742 2.578 -7.991 1.00 73.31 C ATOM 252 CD1 LEU A 18 11.425 3.841 -8.761 1.00 33.51 C ATOM 253 CD2 LEU A 18 10.457 1.916 -7.493 1.00 71.14 C ATOM 0 H LEU A 18 13.084 0.460 -6.113 1.00 23.53 H new ATOM 0 HA LEU A 18 12.009 -0.200 -7.841 1.00 23.54 H new ATOM 0 HB2 LEU A 18 13.488 2.104 -9.154 1.00 42.41 H new ATOM 0 HB3 LEU A 18 12.008 1.392 -9.766 1.00 42.41 H new ATOM 0 HG LEU A 18 12.343 2.846 -7.122 1.00 73.31 H new ATOM 0 HD11 LEU A 18 10.842 4.514 -8.132 1.00 33.51 H new ATOM 0 HD12 LEU A 18 12.353 4.331 -9.054 1.00 33.51 H new ATOM 0 HD13 LEU A 18 10.851 3.589 -9.653 1.00 33.51 H new ATOM 0 HD21 LEU A 18 9.894 2.625 -6.886 1.00 71.14 H new ATOM 0 HD22 LEU A 18 9.852 1.608 -8.346 1.00 71.14 H new ATOM 0 HD23 LEU A 18 10.707 1.042 -6.892 1.00 71.14 H new ATOM 265 N GLU A 19 14.748 -0.768 -9.382 1.00 51.43 N ATOM 266 CA GLU A 19 15.382 -1.689 -10.264 1.00 30.51 C ATOM 267 C GLU A 19 16.233 -2.671 -9.443 1.00 32.33 C ATOM 268 O GLU A 19 16.869 -2.272 -8.451 1.00 50.04 O ATOM 269 CB GLU A 19 16.210 -0.922 -11.315 1.00 63.25 C ATOM 270 CG GLU A 19 15.345 0.007 -12.169 1.00 2.54 C ATOM 271 CD GLU A 19 16.101 0.796 -13.212 1.00 40.23 C ATOM 272 OE1 GLU A 19 16.375 0.249 -14.299 1.00 72.41 O ATOM 273 OE2 GLU A 19 16.402 1.993 -12.967 1.00 12.01 O ATOM 0 H GLU A 19 15.392 -0.116 -8.935 1.00 51.43 H new ATOM 0 HA GLU A 19 14.638 -2.271 -10.808 1.00 30.51 H new ATOM 0 HB2 GLU A 19 16.980 -0.337 -10.812 1.00 63.25 H new ATOM 0 HB3 GLU A 19 16.722 -1.634 -11.962 1.00 63.25 H new ATOM 0 HG2 GLU A 19 14.580 -0.588 -12.668 1.00 2.54 H new ATOM 0 HG3 GLU A 19 14.827 0.705 -11.511 1.00 2.54 H new ATOM 280 N PRO A 20 16.230 -3.970 -9.833 1.00 44.13 N ATOM 281 CA PRO A 20 16.933 -5.061 -9.124 1.00 62.45 C ATOM 282 C PRO A 20 18.394 -4.762 -8.768 1.00 62.35 C ATOM 283 O PRO A 20 18.908 -5.285 -7.777 1.00 61.33 O ATOM 284 CB PRO A 20 16.849 -6.254 -10.093 1.00 53.34 C ATOM 285 CG PRO A 20 16.316 -5.697 -11.367 1.00 4.42 C ATOM 286 CD PRO A 20 15.511 -4.491 -10.994 1.00 24.04 C ATOM 0 HA PRO A 20 16.465 -5.235 -8.155 1.00 62.45 H new ATOM 0 HB2 PRO A 20 17.829 -6.707 -10.243 1.00 53.34 H new ATOM 0 HB3 PRO A 20 16.194 -7.032 -9.701 1.00 53.34 H new ATOM 0 HG2 PRO A 20 17.127 -5.429 -12.044 1.00 4.42 H new ATOM 0 HG3 PRO A 20 15.699 -6.432 -11.884 1.00 4.42 H new ATOM 0 HD2 PRO A 20 15.471 -3.764 -11.805 1.00 24.04 H new ATOM 0 HD3 PRO A 20 14.481 -4.752 -10.749 1.00 24.04 H new ATOM 294 N ALA A 21 19.051 -3.926 -9.557 1.00 50.22 N ATOM 295 CA ALA A 21 20.438 -3.559 -9.293 1.00 4.45 C ATOM 296 C ALA A 21 20.565 -2.803 -7.967 1.00 73.54 C ATOM 297 O ALA A 21 21.481 -3.044 -7.190 1.00 3.11 O ATOM 298 CB ALA A 21 21.003 -2.737 -10.433 1.00 21.50 C ATOM 0 H ALA A 21 18.648 -3.488 -10.385 1.00 50.22 H new ATOM 0 HA ALA A 21 21.018 -4.479 -9.214 1.00 4.45 H new ATOM 0 HB1 ALA A 21 22.038 -2.475 -10.214 1.00 21.50 H new ATOM 0 HB2 ALA A 21 20.963 -3.317 -11.355 1.00 21.50 H new ATOM 0 HB3 ALA A 21 20.415 -1.827 -10.551 1.00 21.50 H new ATOM 304 N VAL A 22 19.637 -1.908 -7.709 1.00 1.24 N ATOM 305 CA VAL A 22 19.639 -1.145 -6.484 1.00 21.30 C ATOM 306 C VAL A 22 19.123 -2.030 -5.349 1.00 0.55 C ATOM 307 O VAL A 22 19.516 -1.892 -4.201 1.00 21.40 O ATOM 308 CB VAL A 22 18.795 0.147 -6.594 1.00 23.35 C ATOM 309 CG1 VAL A 22 18.936 0.990 -5.334 1.00 65.05 C ATOM 310 CG2 VAL A 22 19.195 0.955 -7.823 1.00 21.13 C ATOM 0 H VAL A 22 18.865 -1.691 -8.339 1.00 1.24 H new ATOM 0 HA VAL A 22 20.662 -0.830 -6.279 1.00 21.30 H new ATOM 0 HB VAL A 22 17.749 -0.142 -6.701 1.00 23.35 H new ATOM 0 HG11 VAL A 22 18.335 1.894 -5.432 1.00 65.05 H new ATOM 0 HG12 VAL A 22 18.593 0.417 -4.473 1.00 65.05 H new ATOM 0 HG13 VAL A 22 19.982 1.263 -5.194 1.00 65.05 H new ATOM 0 HG21 VAL A 22 18.587 1.858 -7.878 1.00 21.13 H new ATOM 0 HG22 VAL A 22 20.247 1.229 -7.751 1.00 21.13 H new ATOM 0 HG23 VAL A 22 19.037 0.356 -8.720 1.00 21.13 H new ATOM 320 N ALA A 23 18.255 -2.959 -5.681 1.00 71.24 N ATOM 321 CA ALA A 23 17.787 -3.918 -4.692 1.00 71.33 C ATOM 322 C ALA A 23 18.980 -4.771 -4.219 1.00 4.02 C ATOM 323 O ALA A 23 19.041 -5.215 -3.073 1.00 43.42 O ATOM 324 CB ALA A 23 16.693 -4.798 -5.272 1.00 33.23 C ATOM 0 H ALA A 23 17.860 -3.075 -6.614 1.00 71.24 H new ATOM 0 HA ALA A 23 17.364 -3.384 -3.841 1.00 71.33 H new ATOM 0 HB1 ALA A 23 16.358 -5.508 -4.516 1.00 33.23 H new ATOM 0 HB2 ALA A 23 15.854 -4.177 -5.584 1.00 33.23 H new ATOM 0 HB3 ALA A 23 17.082 -5.342 -6.133 1.00 33.23 H new ATOM 330 N ALA A 24 19.948 -4.938 -5.108 1.00 14.10 N ATOM 331 CA ALA A 24 21.149 -5.676 -4.812 1.00 21.42 C ATOM 332 C ALA A 24 22.113 -4.866 -3.938 1.00 12.33 C ATOM 333 O ALA A 24 23.106 -5.396 -3.464 1.00 11.11 O ATOM 334 CB ALA A 24 21.831 -6.134 -6.092 1.00 4.23 C ATOM 0 H ALA A 24 19.915 -4.561 -6.055 1.00 14.10 H new ATOM 0 HA ALA A 24 20.858 -6.559 -4.243 1.00 21.42 H new ATOM 0 HB1 ALA A 24 22.736 -6.689 -5.844 1.00 4.23 H new ATOM 0 HB2 ALA A 24 21.154 -6.776 -6.655 1.00 4.23 H new ATOM 0 HB3 ALA A 24 22.093 -5.265 -6.696 1.00 4.23 H new ATOM 340 N VAL A 25 21.830 -3.583 -3.721 1.00 21.43 N ATOM 341 CA VAL A 25 22.692 -2.792 -2.850 1.00 5.51 C ATOM 342 C VAL A 25 22.087 -2.676 -1.446 1.00 71.52 C ATOM 343 O VAL A 25 22.789 -2.433 -0.469 1.00 65.32 O ATOM 344 CB VAL A 25 23.064 -1.382 -3.418 1.00 61.21 C ATOM 345 CG1 VAL A 25 23.662 -1.491 -4.809 1.00 52.32 C ATOM 346 CG2 VAL A 25 21.905 -0.413 -3.402 1.00 22.34 C ATOM 0 H VAL A 25 21.037 -3.083 -4.122 1.00 21.43 H new ATOM 0 HA VAL A 25 23.633 -3.339 -2.794 1.00 5.51 H new ATOM 0 HB VAL A 25 23.819 -0.972 -2.747 1.00 61.21 H new ATOM 0 HG11 VAL A 25 23.910 -0.496 -5.177 1.00 52.32 H new ATOM 0 HG12 VAL A 25 24.566 -2.099 -4.770 1.00 52.32 H new ATOM 0 HG13 VAL A 25 22.940 -1.956 -5.480 1.00 52.32 H new ATOM 0 HG21 VAL A 25 22.227 0.546 -3.808 1.00 22.34 H new ATOM 0 HG22 VAL A 25 21.091 -0.809 -4.009 1.00 22.34 H new ATOM 0 HG23 VAL A 25 21.560 -0.276 -2.377 1.00 22.34 H new ATOM 356 N ILE A 26 20.781 -2.847 -1.357 1.00 13.43 N ATOM 357 CA ILE A 26 20.096 -2.847 -0.086 1.00 1.43 C ATOM 358 C ILE A 26 20.123 -4.255 0.545 1.00 60.34 C ATOM 359 O ILE A 26 20.466 -4.417 1.714 1.00 62.32 O ATOM 360 CB ILE A 26 18.617 -2.265 -0.244 1.00 12.44 C ATOM 361 CG1 ILE A 26 17.760 -2.326 1.036 1.00 51.05 C ATOM 362 CG2 ILE A 26 17.893 -2.906 -1.392 1.00 62.13 C ATOM 363 CD1 ILE A 26 17.201 -3.680 1.381 1.00 30.25 C ATOM 0 H ILE A 26 20.171 -2.989 -2.162 1.00 13.43 H new ATOM 0 HA ILE A 26 20.620 -2.185 0.603 1.00 1.43 H new ATOM 0 HB ILE A 26 18.760 -1.205 -0.454 1.00 12.44 H new ATOM 0 HG12 ILE A 26 18.365 -1.978 1.874 1.00 51.05 H new ATOM 0 HG13 ILE A 26 16.931 -1.627 0.930 1.00 51.05 H new ATOM 0 HG21 ILE A 26 16.890 -2.486 -1.470 1.00 62.13 H new ATOM 0 HG22 ILE A 26 18.438 -2.717 -2.317 1.00 62.13 H new ATOM 0 HG23 ILE A 26 17.824 -3.981 -1.224 1.00 62.13 H new ATOM 0 HD11 ILE A 26 16.615 -3.609 2.298 1.00 30.25 H new ATOM 0 HD12 ILE A 26 16.563 -4.028 0.569 1.00 30.25 H new ATOM 0 HD13 ILE A 26 18.019 -4.385 1.527 1.00 30.25 H new ATOM 375 N LEU A 27 19.792 -5.262 -0.243 1.00 3.42 N ATOM 376 CA LEU A 27 19.737 -6.631 0.249 1.00 52.41 C ATOM 377 C LEU A 27 21.074 -7.309 0.095 1.00 64.21 C ATOM 378 O LEU A 27 21.352 -8.304 0.759 1.00 73.51 O ATOM 379 CB LEU A 27 18.695 -7.435 -0.542 1.00 53.40 C ATOM 380 CG LEU A 27 17.240 -6.988 -0.454 1.00 61.34 C ATOM 381 CD1 LEU A 27 16.396 -7.836 -1.367 1.00 63.13 C ATOM 382 CD2 LEU A 27 16.732 -7.105 0.960 1.00 52.23 C ATOM 0 H LEU A 27 19.556 -5.159 -1.230 1.00 3.42 H new ATOM 0 HA LEU A 27 19.465 -6.594 1.304 1.00 52.41 H new ATOM 0 HB2 LEU A 27 18.987 -7.421 -1.592 1.00 53.40 H new ATOM 0 HB3 LEU A 27 18.748 -8.472 -0.210 1.00 53.40 H new ATOM 0 HG LEU A 27 17.177 -5.944 -0.760 1.00 61.34 H new ATOM 0 HD11 LEU A 27 15.356 -7.516 -1.303 1.00 63.13 H new ATOM 0 HD12 LEU A 27 16.747 -7.727 -2.393 1.00 63.13 H new ATOM 0 HD13 LEU A 27 16.473 -8.881 -1.067 1.00 63.13 H new ATOM 0 HD21 LEU A 27 15.692 -6.781 1.001 1.00 52.23 H new ATOM 0 HD22 LEU A 27 16.802 -8.142 1.287 1.00 52.23 H new ATOM 0 HD23 LEU A 27 17.334 -6.476 1.616 1.00 52.23 H new ATOM 394 N ASP A 28 21.897 -6.765 -0.818 1.00 54.33 N ATOM 395 CA ASP A 28 23.199 -7.366 -1.222 1.00 14.43 C ATOM 396 C ASP A 28 22.927 -8.667 -2.003 1.00 20.44 C ATOM 397 O ASP A 28 23.813 -9.440 -2.353 1.00 34.12 O ATOM 398 CB ASP A 28 24.144 -7.569 -0.016 1.00 51.12 C ATOM 399 CG ASP A 28 25.507 -8.102 -0.400 1.00 12.15 C ATOM 400 OD1 ASP A 28 26.290 -7.366 -1.070 1.00 70.22 O ATOM 401 OD2 ASP A 28 25.841 -9.236 -0.015 1.00 2.33 O ATOM 0 H ASP A 28 21.686 -5.893 -1.303 1.00 54.33 H new ATOM 0 HA ASP A 28 23.728 -6.676 -1.879 1.00 14.43 H new ATOM 0 HB2 ASP A 28 24.267 -6.618 0.503 1.00 51.12 H new ATOM 0 HB3 ASP A 28 23.678 -8.258 0.688 1.00 51.12 H new ATOM 406 N ARG A 29 21.676 -8.821 -2.318 1.00 41.35 N ATOM 407 CA ARG A 29 21.123 -9.914 -3.041 1.00 75.22 C ATOM 408 C ARG A 29 20.173 -9.283 -4.035 1.00 62.52 C ATOM 409 O ARG A 29 19.532 -8.287 -3.701 1.00 45.13 O ATOM 410 CB ARG A 29 20.333 -10.803 -2.061 1.00 1.31 C ATOM 411 CG ARG A 29 19.695 -12.021 -2.689 1.00 13.21 C ATOM 412 CD ARG A 29 18.860 -12.800 -1.689 1.00 24.43 C ATOM 413 NE ARG A 29 18.268 -13.997 -2.302 1.00 51.11 N ATOM 414 CZ ARG A 29 17.209 -14.666 -1.830 1.00 11.02 C ATOM 415 NH1 ARG A 29 16.559 -14.238 -0.743 1.00 13.12 N ATOM 416 NH2 ARG A 29 16.796 -15.760 -2.461 1.00 10.13 N ATOM 0 H ARG A 29 20.969 -8.134 -2.055 1.00 41.35 H new ATOM 0 HA ARG A 29 21.880 -10.527 -3.531 1.00 75.22 H new ATOM 0 HB2 ARG A 29 21.004 -11.130 -1.266 1.00 1.31 H new ATOM 0 HB3 ARG A 29 19.554 -10.202 -1.593 1.00 1.31 H new ATOM 0 HG2 ARG A 29 19.067 -11.712 -3.524 1.00 13.21 H new ATOM 0 HG3 ARG A 29 20.471 -12.668 -3.097 1.00 13.21 H new ATOM 0 HD2 ARG A 29 19.482 -13.092 -0.843 1.00 24.43 H new ATOM 0 HD3 ARG A 29 18.069 -12.161 -1.297 1.00 24.43 H new ATOM 0 HE ARG A 29 18.699 -14.347 -3.157 1.00 51.11 H new ATOM 0 HH11 ARG A 29 16.869 -13.393 -0.263 1.00 13.12 H new ATOM 0 HH12 ARG A 29 15.753 -14.757 -0.393 1.00 13.12 H new ATOM 0 HH21 ARG A 29 17.285 -16.082 -3.296 1.00 10.13 H new ATOM 0 HH22 ARG A 29 15.990 -16.278 -2.110 1.00 10.13 H new ATOM 430 N THR A 30 20.096 -9.793 -5.232 1.00 35.43 N ATOM 431 CA THR A 30 19.203 -9.204 -6.198 1.00 1.33 C ATOM 432 C THR A 30 17.756 -9.641 -5.908 1.00 54.14 C ATOM 433 O THR A 30 17.497 -10.811 -5.564 1.00 22.04 O ATOM 434 CB THR A 30 19.629 -9.505 -7.680 1.00 41.05 C ATOM 435 OG1 THR A 30 18.766 -8.827 -8.611 1.00 41.33 O ATOM 436 CG2 THR A 30 19.630 -10.996 -7.983 1.00 60.10 C ATOM 0 H THR A 30 20.628 -10.599 -5.561 1.00 35.43 H new ATOM 0 HA THR A 30 19.264 -8.121 -6.094 1.00 1.33 H new ATOM 0 HB THR A 30 20.647 -9.134 -7.794 1.00 41.05 H new ATOM 0 HG1 THR A 30 19.051 -9.028 -9.527 1.00 41.33 H new ATOM 0 HG21 THR A 30 19.931 -11.157 -9.018 1.00 60.10 H new ATOM 0 HG22 THR A 30 20.331 -11.502 -7.319 1.00 60.10 H new ATOM 0 HG23 THR A 30 18.629 -11.399 -7.829 1.00 60.10 H new ATOM 444 N ALA A 31 16.841 -8.703 -5.990 1.00 42.32 N ATOM 445 CA ALA A 31 15.446 -8.969 -5.720 1.00 31.13 C ATOM 446 C ALA A 31 14.628 -8.639 -6.926 1.00 21.11 C ATOM 447 O ALA A 31 15.038 -7.823 -7.761 1.00 11.21 O ATOM 448 CB ALA A 31 14.959 -8.153 -4.538 1.00 12.32 C ATOM 0 H ALA A 31 17.041 -7.736 -6.245 1.00 42.32 H new ATOM 0 HA ALA A 31 15.338 -10.027 -5.479 1.00 31.13 H new ATOM 0 HB1 ALA A 31 13.907 -8.370 -4.355 1.00 12.32 H new ATOM 0 HB2 ALA A 31 15.542 -8.410 -3.654 1.00 12.32 H new ATOM 0 HB3 ALA A 31 15.078 -7.091 -4.755 1.00 12.32 H new ATOM 454 N ASP A 32 13.497 -9.263 -7.042 1.00 2.22 N ATOM 455 CA ASP A 32 12.601 -8.997 -8.138 1.00 12.55 C ATOM 456 C ASP A 32 11.659 -7.897 -7.757 1.00 62.02 C ATOM 457 O ASP A 32 10.899 -8.025 -6.783 1.00 42.34 O ATOM 458 CB ASP A 32 11.792 -10.245 -8.559 1.00 4.31 C ATOM 459 CG ASP A 32 12.618 -11.349 -9.193 1.00 43.24 C ATOM 460 OD1 ASP A 32 12.820 -11.314 -10.436 1.00 53.04 O ATOM 461 OD2 ASP A 32 13.044 -12.289 -8.477 1.00 13.41 O ATOM 0 H ASP A 32 13.164 -9.969 -6.386 1.00 2.22 H new ATOM 0 HA ASP A 32 13.211 -8.701 -8.992 1.00 12.55 H new ATOM 0 HB2 ASP A 32 11.286 -10.647 -7.681 1.00 4.31 H new ATOM 0 HB3 ASP A 32 11.017 -9.939 -9.262 1.00 4.31 H new ATOM 466 N THR A 33 11.713 -6.811 -8.468 1.00 21.15 N ATOM 467 CA THR A 33 10.805 -5.755 -8.232 1.00 0.11 C ATOM 468 C THR A 33 9.801 -5.818 -9.379 1.00 43.03 C ATOM 469 O THR A 33 10.178 -6.120 -10.506 1.00 75.25 O ATOM 470 CB THR A 33 11.547 -4.416 -8.286 1.00 33.31 C ATOM 471 OG1 THR A 33 12.832 -4.577 -7.663 1.00 10.33 O ATOM 472 CG2 THR A 33 10.804 -3.379 -7.492 1.00 54.31 C ATOM 0 H THR A 33 12.384 -6.643 -9.218 1.00 21.15 H new ATOM 0 HA THR A 33 10.326 -5.842 -7.257 1.00 0.11 H new ATOM 0 HB THR A 33 11.635 -4.107 -9.327 1.00 33.31 H new ATOM 0 HG1 THR A 33 13.319 -3.727 -7.692 1.00 10.33 H new ATOM 0 HG21 THR A 33 11.341 -2.432 -7.538 1.00 54.31 H new ATOM 0 HG22 THR A 33 9.805 -3.250 -7.907 1.00 54.31 H new ATOM 0 HG23 THR A 33 10.727 -3.702 -6.454 1.00 54.31 H new ATOM 480 N VAL A 34 8.560 -5.554 -9.116 1.00 62.34 N ATOM 481 CA VAL A 34 7.546 -5.607 -10.159 1.00 13.22 C ATOM 482 C VAL A 34 6.632 -4.399 -10.061 1.00 74.02 C ATOM 483 O VAL A 34 6.459 -3.861 -8.978 1.00 32.02 O ATOM 484 CB VAL A 34 6.701 -6.933 -10.103 1.00 11.02 C ATOM 485 CG1 VAL A 34 7.570 -8.154 -10.385 1.00 63.53 C ATOM 486 CG2 VAL A 34 6.012 -7.090 -8.758 1.00 44.11 C ATOM 0 H VAL A 34 8.210 -5.298 -8.193 1.00 62.34 H new ATOM 0 HA VAL A 34 8.065 -5.595 -11.117 1.00 13.22 H new ATOM 0 HB VAL A 34 5.939 -6.862 -10.879 1.00 11.02 H new ATOM 0 HG11 VAL A 34 6.958 -9.055 -10.339 1.00 63.53 H new ATOM 0 HG12 VAL A 34 8.011 -8.065 -11.378 1.00 63.53 H new ATOM 0 HG13 VAL A 34 8.363 -8.216 -9.640 1.00 63.53 H new ATOM 0 HG21 VAL A 34 5.436 -8.015 -8.750 1.00 44.11 H new ATOM 0 HG22 VAL A 34 6.761 -7.122 -7.967 1.00 44.11 H new ATOM 0 HG23 VAL A 34 5.344 -6.245 -8.591 1.00 44.11 H new ATOM 496 N PRO A 35 6.075 -3.928 -11.186 1.00 22.13 N ATOM 497 CA PRO A 35 5.155 -2.788 -11.194 1.00 70.12 C ATOM 498 C PRO A 35 3.874 -3.100 -10.438 1.00 41.13 C ATOM 499 O PRO A 35 3.269 -4.178 -10.612 1.00 11.44 O ATOM 500 CB PRO A 35 4.860 -2.562 -12.679 1.00 21.31 C ATOM 501 CG PRO A 35 5.160 -3.867 -13.324 1.00 24.22 C ATOM 502 CD PRO A 35 6.299 -4.451 -12.546 1.00 71.50 C ATOM 0 HA PRO A 35 5.582 -1.913 -10.705 1.00 70.12 H new ATOM 0 HB2 PRO A 35 3.821 -2.271 -12.837 1.00 21.31 H new ATOM 0 HB3 PRO A 35 5.480 -1.765 -13.090 1.00 21.31 H new ATOM 0 HG2 PRO A 35 4.291 -4.525 -13.300 1.00 24.22 H new ATOM 0 HG3 PRO A 35 5.429 -3.733 -14.372 1.00 24.22 H new ATOM 0 HD2 PRO A 35 6.285 -5.541 -12.567 1.00 71.50 H new ATOM 0 HD3 PRO A 35 7.263 -4.137 -12.945 1.00 71.50 H new ATOM 510 N ALA A 36 3.472 -2.192 -9.604 1.00 73.22 N ATOM 511 CA ALA A 36 2.295 -2.349 -8.813 1.00 72.34 C ATOM 512 C ALA A 36 1.680 -1.011 -8.545 1.00 33.43 C ATOM 513 O ALA A 36 2.354 0.014 -8.602 1.00 30.25 O ATOM 514 CB ALA A 36 2.614 -3.050 -7.514 1.00 31.30 C ATOM 0 H ALA A 36 3.960 -1.309 -9.453 1.00 73.22 H new ATOM 0 HA ALA A 36 1.583 -2.963 -9.365 1.00 72.34 H new ATOM 0 HB1 ALA A 36 1.703 -3.159 -6.926 1.00 31.30 H new ATOM 0 HB2 ALA A 36 3.030 -4.035 -7.725 1.00 31.30 H new ATOM 0 HB3 ALA A 36 3.340 -2.462 -6.952 1.00 31.30 H new ATOM 520 N VAL A 37 0.426 -1.005 -8.271 1.00 21.13 N ATOM 521 CA VAL A 37 -0.256 0.211 -7.986 1.00 71.51 C ATOM 522 C VAL A 37 -0.918 0.159 -6.612 1.00 14.42 C ATOM 523 O VAL A 37 -1.642 -0.793 -6.276 1.00 73.23 O ATOM 524 CB VAL A 37 -1.271 0.580 -9.109 1.00 44.53 C ATOM 525 CG1 VAL A 37 -2.260 -0.540 -9.344 1.00 32.42 C ATOM 526 CG2 VAL A 37 -1.997 1.876 -8.794 1.00 4.05 C ATOM 0 H VAL A 37 -0.159 -1.840 -8.237 1.00 21.13 H new ATOM 0 HA VAL A 37 0.486 1.009 -7.961 1.00 71.51 H new ATOM 0 HB VAL A 37 -0.701 0.727 -10.026 1.00 44.53 H new ATOM 0 HG11 VAL A 37 -2.955 -0.252 -10.133 1.00 32.42 H new ATOM 0 HG12 VAL A 37 -1.725 -1.441 -9.643 1.00 32.42 H new ATOM 0 HG13 VAL A 37 -2.814 -0.735 -8.426 1.00 32.42 H new ATOM 0 HG21 VAL A 37 -2.698 2.105 -9.597 1.00 4.05 H new ATOM 0 HG22 VAL A 37 -2.542 1.769 -7.856 1.00 4.05 H new ATOM 0 HG23 VAL A 37 -1.273 2.686 -8.702 1.00 4.05 H new ATOM 536 N LEU A 38 -0.638 1.158 -5.823 1.00 43.33 N ATOM 537 CA LEU A 38 -1.194 1.288 -4.519 1.00 30.42 C ATOM 538 C LEU A 38 -2.500 2.014 -4.587 1.00 0.25 C ATOM 539 O LEU A 38 -2.549 3.192 -4.880 1.00 62.32 O ATOM 540 CB LEU A 38 -0.230 2.002 -3.562 1.00 32.33 C ATOM 541 CG LEU A 38 -0.781 2.346 -2.165 1.00 33.04 C ATOM 542 CD1 LEU A 38 -1.395 1.136 -1.493 1.00 75.20 C ATOM 543 CD2 LEU A 38 0.323 2.889 -1.303 1.00 34.14 C ATOM 0 H LEU A 38 -0.004 1.915 -6.079 1.00 43.33 H new ATOM 0 HA LEU A 38 -1.364 0.286 -4.125 1.00 30.42 H new ATOM 0 HB2 LEU A 38 0.653 1.375 -3.436 1.00 32.33 H new ATOM 0 HB3 LEU A 38 0.100 2.926 -4.036 1.00 32.33 H new ATOM 0 HG LEU A 38 -1.561 3.097 -2.291 1.00 33.04 H new ATOM 0 HD11 LEU A 38 -1.772 1.418 -0.510 1.00 75.20 H new ATOM 0 HD12 LEU A 38 -2.216 0.759 -2.103 1.00 75.20 H new ATOM 0 HD13 LEU A 38 -0.639 0.359 -1.382 1.00 75.20 H new ATOM 0 HD21 LEU A 38 -0.071 3.131 -0.316 1.00 34.14 H new ATOM 0 HD22 LEU A 38 1.110 2.141 -1.206 1.00 34.14 H new ATOM 0 HD23 LEU A 38 0.733 3.790 -1.761 1.00 34.14 H new ATOM 555 N HIS A 39 -3.536 1.309 -4.326 1.00 63.04 N ATOM 556 CA HIS A 39 -4.863 1.866 -4.331 1.00 41.11 C ATOM 557 C HIS A 39 -5.193 2.462 -2.954 1.00 64.14 C ATOM 558 O HIS A 39 -5.119 1.755 -1.946 1.00 61.42 O ATOM 559 CB HIS A 39 -5.908 0.781 -4.718 1.00 25.33 C ATOM 560 CG HIS A 39 -5.767 -0.548 -4.006 1.00 42.11 C ATOM 561 ND1 HIS A 39 -6.230 -0.803 -2.743 1.00 15.22 N ATOM 562 CD2 HIS A 39 -5.201 -1.697 -4.424 1.00 21.22 C ATOM 563 CE1 HIS A 39 -5.958 -2.048 -2.417 1.00 23.40 C ATOM 564 NE2 HIS A 39 -5.335 -2.616 -3.422 1.00 14.42 N ATOM 0 H HIS A 39 -3.501 0.315 -4.098 1.00 63.04 H new ATOM 0 HA HIS A 39 -4.903 2.662 -5.075 1.00 41.11 H new ATOM 0 HB2 HIS A 39 -6.905 1.175 -4.519 1.00 25.33 H new ATOM 0 HB3 HIS A 39 -5.843 0.606 -5.792 1.00 25.33 H new ATOM 0 HD2 HIS A 39 -4.726 -1.862 -5.380 1.00 21.22 H new ATOM 0 HE1 HIS A 39 -6.206 -2.523 -1.479 1.00 23.40 H new ATOM 0 HE2 HIS A 39 -5.006 -3.581 -3.451 1.00 14.42 H new ATOM 573 N GLY A 40 -5.523 3.747 -2.897 1.00 34.20 N ATOM 574 CA GLY A 40 -5.893 4.331 -1.621 1.00 42.11 C ATOM 575 C GLY A 40 -5.020 5.500 -1.236 1.00 71.31 C ATOM 576 O GLY A 40 -5.419 6.347 -0.432 1.00 45.04 O ATOM 0 H GLY A 40 -5.541 4.384 -3.693 1.00 34.20 H new ATOM 0 HA2 GLY A 40 -6.932 4.658 -1.664 1.00 42.11 H new ATOM 0 HA3 GLY A 40 -5.832 3.567 -0.846 1.00 42.11 H new ATOM 580 N TYR A 41 -3.841 5.556 -1.792 1.00 24.35 N ATOM 581 CA TYR A 41 -2.931 6.621 -1.520 1.00 72.43 C ATOM 582 C TYR A 41 -2.659 7.363 -2.771 1.00 2.13 C ATOM 583 O TYR A 41 -2.886 6.849 -3.852 1.00 30.54 O ATOM 584 CB TYR A 41 -1.615 6.097 -0.938 1.00 1.13 C ATOM 585 CG TYR A 41 -1.673 5.690 0.514 1.00 61.11 C ATOM 586 CD1 TYR A 41 -2.128 4.434 0.910 1.00 73.12 C ATOM 587 CD2 TYR A 41 -1.261 6.577 1.495 1.00 42.41 C ATOM 588 CE1 TYR A 41 -2.172 4.087 2.243 1.00 44.10 C ATOM 589 CE2 TYR A 41 -1.300 6.233 2.827 1.00 13.32 C ATOM 590 CZ TYR A 41 -1.757 4.987 3.196 1.00 62.33 C ATOM 591 OH TYR A 41 -1.798 4.643 4.526 1.00 21.41 O ATOM 0 H TYR A 41 -3.488 4.859 -2.448 1.00 24.35 H new ATOM 0 HA TYR A 41 -3.387 7.281 -0.782 1.00 72.43 H new ATOM 0 HB2 TYR A 41 -1.292 5.239 -1.527 1.00 1.13 H new ATOM 0 HB3 TYR A 41 -0.853 6.868 -1.053 1.00 1.13 H new ATOM 0 HD1 TYR A 41 -2.450 3.724 0.163 1.00 73.12 H new ATOM 0 HD2 TYR A 41 -0.903 7.555 1.210 1.00 42.41 H new ATOM 0 HE1 TYR A 41 -2.531 3.112 2.538 1.00 44.10 H new ATOM 0 HE2 TYR A 41 -0.974 6.936 3.579 1.00 13.32 H new ATOM 0 HH TYR A 41 -1.469 5.391 5.068 1.00 21.41 H new ATOM 601 N HIS A 42 -2.172 8.554 -2.647 1.00 60.42 N ATOM 602 CA HIS A 42 -1.828 9.318 -3.798 1.00 42.11 C ATOM 603 C HIS A 42 -0.457 9.907 -3.552 1.00 63.42 C ATOM 604 O HIS A 42 -0.198 10.433 -2.479 1.00 72.00 O ATOM 605 CB HIS A 42 -2.867 10.422 -4.019 1.00 21.34 C ATOM 606 CG HIS A 42 -2.810 11.087 -5.364 1.00 55.44 C ATOM 607 ND1 HIS A 42 -3.837 11.004 -6.276 1.00 42.42 N ATOM 608 CD2 HIS A 42 -1.872 11.863 -5.938 1.00 1.20 C ATOM 609 CE1 HIS A 42 -3.535 11.687 -7.350 1.00 25.15 C ATOM 610 NE2 HIS A 42 -2.353 12.222 -7.177 1.00 42.31 N ATOM 0 H HIS A 42 -2.003 9.020 -1.755 1.00 60.42 H new ATOM 0 HA HIS A 42 -1.814 8.697 -4.694 1.00 42.11 H new ATOM 0 HB2 HIS A 42 -3.861 9.997 -3.882 1.00 21.34 H new ATOM 0 HB3 HIS A 42 -2.737 11.182 -3.249 1.00 21.34 H new ATOM 0 HD1 HIS A 42 -4.705 10.487 -6.135 1.00 42.42 H new ATOM 0 HD2 HIS A 42 -0.923 12.149 -5.509 1.00 1.20 H new ATOM 0 HE1 HIS A 42 -4.154 11.792 -8.228 1.00 25.15 H new ATOM 619 N ARG A 43 0.421 9.779 -4.514 1.00 31.42 N ATOM 620 CA ARG A 43 1.753 10.326 -4.402 1.00 0.41 C ATOM 621 C ARG A 43 1.752 11.724 -4.898 1.00 71.31 C ATOM 622 O ARG A 43 1.401 11.967 -6.029 1.00 43.02 O ATOM 623 CB ARG A 43 2.811 9.426 -5.141 1.00 35.55 C ATOM 624 CG ARG A 43 4.244 10.008 -5.240 1.00 60.52 C ATOM 625 CD ARG A 43 4.378 11.010 -6.397 1.00 40.32 C ATOM 626 NE ARG A 43 5.628 11.773 -6.353 1.00 2.44 N ATOM 627 CZ ARG A 43 6.192 12.367 -7.401 1.00 45.30 C ATOM 628 NH1 ARG A 43 5.757 12.116 -8.613 1.00 62.44 N ATOM 629 NH2 ARG A 43 7.227 13.176 -7.227 1.00 32.10 N ATOM 0 H ARG A 43 0.236 9.296 -5.393 1.00 31.42 H new ATOM 0 HA ARG A 43 2.051 10.336 -3.354 1.00 0.41 H new ATOM 0 HB2 ARG A 43 2.864 8.466 -4.628 1.00 35.55 H new ATOM 0 HB3 ARG A 43 2.450 9.228 -6.150 1.00 35.55 H new ATOM 0 HG2 ARG A 43 4.501 10.500 -4.302 1.00 60.52 H new ATOM 0 HG3 ARG A 43 4.957 9.195 -5.379 1.00 60.52 H new ATOM 0 HD2 ARG A 43 4.320 10.473 -7.344 1.00 40.32 H new ATOM 0 HD3 ARG A 43 3.536 11.701 -6.371 1.00 40.32 H new ATOM 0 HE ARG A 43 6.100 11.855 -5.453 1.00 2.44 H new ATOM 0 HH11 ARG A 43 4.985 11.464 -8.753 1.00 62.44 H new ATOM 0 HH12 ARG A 43 6.191 12.573 -9.415 1.00 62.44 H new ATOM 0 HH21 ARG A 43 7.591 13.343 -6.289 1.00 32.10 H new ATOM 0 HH22 ARG A 43 7.659 13.631 -8.031 1.00 32.10 H new ATOM 643 N TYR A 44 2.118 12.625 -4.045 1.00 71.54 N ATOM 644 CA TYR A 44 2.191 14.019 -4.381 1.00 1.51 C ATOM 645 C TYR A 44 3.636 14.311 -4.754 1.00 74.43 C ATOM 646 O TYR A 44 4.521 13.554 -4.365 1.00 43.42 O ATOM 647 CB TYR A 44 1.750 14.849 -3.181 1.00 14.51 C ATOM 648 CG TYR A 44 0.438 14.383 -2.590 1.00 2.25 C ATOM 649 CD1 TYR A 44 -0.781 14.816 -3.095 1.00 32.03 C ATOM 650 CD2 TYR A 44 0.426 13.489 -1.522 1.00 52.52 C ATOM 651 CE1 TYR A 44 -1.975 14.368 -2.548 1.00 45.10 C ATOM 652 CE2 TYR A 44 -0.750 13.046 -0.985 1.00 3.31 C ATOM 653 CZ TYR A 44 -1.943 13.479 -1.491 1.00 52.34 C ATOM 654 OH TYR A 44 -3.114 13.022 -0.927 1.00 54.33 O ATOM 0 H TYR A 44 2.379 12.416 -3.081 1.00 71.54 H new ATOM 0 HA TYR A 44 1.536 14.271 -5.215 1.00 1.51 H new ATOM 0 HB2 TYR A 44 2.523 14.807 -2.414 1.00 14.51 H new ATOM 0 HB3 TYR A 44 1.656 15.892 -3.483 1.00 14.51 H new ATOM 0 HD1 TYR A 44 -0.800 15.509 -3.923 1.00 32.03 H new ATOM 0 HD2 TYR A 44 1.362 13.140 -1.111 1.00 52.52 H new ATOM 0 HE1 TYR A 44 -2.919 14.711 -2.944 1.00 45.10 H new ATOM 0 HE2 TYR A 44 -0.736 12.351 -0.158 1.00 3.31 H new ATOM 0 HH TYR A 44 -2.907 12.480 -0.137 1.00 54.33 H new ATOM 664 N LYS A 45 3.881 15.385 -5.473 1.00 24.23 N ATOM 665 CA LYS A 45 5.198 15.631 -6.011 1.00 50.24 C ATOM 666 C LYS A 45 6.140 16.289 -4.972 1.00 43.40 C ATOM 667 O LYS A 45 7.309 15.907 -4.881 1.00 53.13 O ATOM 668 CB LYS A 45 5.070 16.411 -7.370 1.00 62.33 C ATOM 669 CG LYS A 45 6.356 16.630 -8.163 1.00 34.24 C ATOM 670 CD LYS A 45 7.235 17.687 -7.560 1.00 12.42 C ATOM 671 CE LYS A 45 8.567 17.781 -8.273 1.00 63.42 C ATOM 672 NZ LYS A 45 9.359 16.533 -8.154 1.00 70.53 N ATOM 0 H LYS A 45 3.187 16.098 -5.697 1.00 24.23 H new ATOM 0 HA LYS A 45 5.685 14.683 -6.237 1.00 50.24 H new ATOM 0 HB2 LYS A 45 4.367 15.873 -8.005 1.00 62.33 H new ATOM 0 HB3 LYS A 45 4.629 17.386 -7.162 1.00 62.33 H new ATOM 0 HG2 LYS A 45 6.908 15.692 -8.218 1.00 34.24 H new ATOM 0 HG3 LYS A 45 6.104 16.912 -9.185 1.00 34.24 H new ATOM 0 HD2 LYS A 45 6.729 18.651 -7.606 1.00 12.42 H new ATOM 0 HD3 LYS A 45 7.401 17.464 -6.506 1.00 12.42 H new ATOM 0 HE2 LYS A 45 8.398 18.002 -9.327 1.00 63.42 H new ATOM 0 HE3 LYS A 45 9.139 18.612 -7.861 1.00 63.42 H new ATOM 0 HZ1 LYS A 45 10.355 16.731 -8.378 1.00 70.53 H new ATOM 0 HZ2 LYS A 45 9.289 16.168 -7.183 1.00 70.53 H new ATOM 0 HZ3 LYS A 45 8.990 15.823 -8.818 1.00 70.53 H new ATOM 686 N LEU A 46 5.613 17.264 -4.202 1.00 55.33 N ATOM 687 CA LEU A 46 6.377 17.990 -3.137 1.00 23.11 C ATOM 688 C LEU A 46 7.580 18.803 -3.654 1.00 53.14 C ATOM 689 O LEU A 46 8.110 18.572 -4.746 1.00 1.35 O ATOM 690 CB LEU A 46 6.777 17.083 -1.929 1.00 71.10 C ATOM 691 CG LEU A 46 5.656 16.695 -0.925 1.00 52.14 C ATOM 692 CD1 LEU A 46 4.505 15.990 -1.580 1.00 62.14 C ATOM 693 CD2 LEU A 46 6.199 15.844 0.194 1.00 14.52 C ATOM 0 H LEU A 46 4.647 17.578 -4.292 1.00 55.33 H new ATOM 0 HA LEU A 46 5.660 18.722 -2.765 1.00 23.11 H new ATOM 0 HB2 LEU A 46 7.207 16.163 -2.326 1.00 71.10 H new ATOM 0 HB3 LEU A 46 7.566 17.590 -1.374 1.00 71.10 H new ATOM 0 HG LEU A 46 5.280 17.634 -0.518 1.00 52.14 H new ATOM 0 HD11 LEU A 46 3.754 15.744 -0.829 1.00 62.14 H new ATOM 0 HD12 LEU A 46 4.063 16.639 -2.336 1.00 62.14 H new ATOM 0 HD13 LEU A 46 4.860 15.074 -2.051 1.00 62.14 H new ATOM 0 HD21 LEU A 46 5.392 15.588 0.881 1.00 14.52 H new ATOM 0 HD22 LEU A 46 6.628 14.931 -0.219 1.00 14.52 H new ATOM 0 HD23 LEU A 46 6.970 16.397 0.730 1.00 14.52 H new ATOM 705 N LYS A 47 7.988 19.774 -2.867 1.00 10.05 N ATOM 706 CA LYS A 47 9.105 20.646 -3.230 1.00 60.53 C ATOM 707 C LYS A 47 10.084 20.674 -2.096 1.00 75.50 C ATOM 708 O LYS A 47 11.280 20.462 -2.281 1.00 23.12 O ATOM 709 CB LYS A 47 8.619 22.075 -3.456 1.00 41.34 C ATOM 710 CG LYS A 47 7.506 22.222 -4.455 1.00 42.21 C ATOM 711 CD LYS A 47 7.925 21.805 -5.853 1.00 40.21 C ATOM 712 CE LYS A 47 6.782 21.980 -6.836 1.00 31.15 C ATOM 713 NZ LYS A 47 6.297 23.379 -6.875 1.00 54.31 N ATOM 0 H LYS A 47 7.565 19.988 -1.964 1.00 10.05 H new ATOM 0 HA LYS A 47 9.562 20.264 -4.143 1.00 60.53 H new ATOM 0 HB2 LYS A 47 8.286 22.483 -2.502 1.00 41.34 H new ATOM 0 HB3 LYS A 47 9.463 22.681 -3.785 1.00 41.34 H new ATOM 0 HG2 LYS A 47 6.655 21.619 -4.138 1.00 42.21 H new ATOM 0 HG3 LYS A 47 7.172 23.259 -4.473 1.00 42.21 H new ATOM 0 HD2 LYS A 47 8.780 22.400 -6.173 1.00 40.21 H new ATOM 0 HD3 LYS A 47 8.247 20.764 -5.845 1.00 40.21 H new ATOM 0 HE2 LYS A 47 7.110 21.682 -7.832 1.00 31.15 H new ATOM 0 HE3 LYS A 47 5.961 21.319 -6.560 1.00 31.15 H new ATOM 0 HZ1 LYS A 47 5.734 23.527 -7.737 1.00 54.31 H new ATOM 0 HZ2 LYS A 47 5.707 23.565 -6.039 1.00 54.31 H new ATOM 0 HZ3 LYS A 47 7.110 24.028 -6.877 1.00 54.31 H new ATOM 727 N GLY A 48 9.552 20.949 -0.912 1.00 55.53 N ATOM 728 CA GLY A 48 10.349 21.009 0.276 1.00 22.50 C ATOM 729 C GLY A 48 10.916 19.659 0.635 1.00 71.40 C ATOM 730 O GLY A 48 11.986 19.552 1.238 1.00 2.12 O ATOM 0 H GLY A 48 8.560 21.134 -0.763 1.00 55.53 H new ATOM 0 HA2 GLY A 48 11.163 21.719 0.133 1.00 22.50 H new ATOM 0 HA3 GLY A 48 9.743 21.381 1.102 1.00 22.50 H new ATOM 734 N LEU A 49 10.199 18.630 0.268 1.00 11.51 N ATOM 735 CA LEU A 49 10.645 17.280 0.476 1.00 4.21 C ATOM 736 C LEU A 49 11.041 16.689 -0.876 1.00 44.40 C ATOM 737 O LEU A 49 10.765 17.307 -1.916 1.00 34.00 O ATOM 738 CB LEU A 49 9.550 16.418 1.152 1.00 2.20 C ATOM 739 CG LEU A 49 9.142 16.764 2.611 1.00 24.43 C ATOM 740 CD1 LEU A 49 10.349 16.783 3.532 1.00 20.22 C ATOM 741 CD2 LEU A 49 8.350 18.063 2.707 1.00 62.42 C ATOM 0 H LEU A 49 9.288 18.706 -0.184 1.00 11.51 H new ATOM 0 HA LEU A 49 11.503 17.284 1.148 1.00 4.21 H new ATOM 0 HB2 LEU A 49 8.654 16.472 0.534 1.00 2.20 H new ATOM 0 HB3 LEU A 49 9.885 15.381 1.137 1.00 2.20 H new ATOM 0 HG LEU A 49 8.476 15.969 2.945 1.00 24.43 H new ATOM 0 HD11 LEU A 49 10.030 17.028 4.545 1.00 20.22 H new ATOM 0 HD12 LEU A 49 10.825 15.802 3.529 1.00 20.22 H new ATOM 0 HD13 LEU A 49 11.060 17.532 3.184 1.00 20.22 H new ATOM 0 HD21 LEU A 49 8.091 18.255 3.748 1.00 62.42 H new ATOM 0 HD22 LEU A 49 8.954 18.886 2.325 1.00 62.42 H new ATOM 0 HD23 LEU A 49 7.438 17.977 2.117 1.00 62.42 H new ATOM 753 N PRO A 50 11.736 15.518 -0.895 1.00 43.14 N ATOM 754 CA PRO A 50 12.131 14.833 -2.150 1.00 51.32 C ATOM 755 C PRO A 50 10.912 14.381 -3.002 1.00 34.25 C ATOM 756 O PRO A 50 9.827 14.927 -2.898 1.00 4.15 O ATOM 757 CB PRO A 50 12.908 13.602 -1.637 1.00 24.12 C ATOM 758 CG PRO A 50 13.347 13.976 -0.274 1.00 23.05 C ATOM 759 CD PRO A 50 12.230 14.783 0.288 1.00 24.44 C ATOM 0 HA PRO A 50 12.702 15.487 -2.808 1.00 51.32 H new ATOM 0 HB2 PRO A 50 12.276 12.714 -1.620 1.00 24.12 H new ATOM 0 HB3 PRO A 50 13.759 13.375 -2.279 1.00 24.12 H new ATOM 0 HG2 PRO A 50 13.539 13.092 0.334 1.00 23.05 H new ATOM 0 HG3 PRO A 50 14.273 14.551 -0.302 1.00 23.05 H new ATOM 0 HD2 PRO A 50 11.456 14.153 0.726 1.00 24.44 H new ATOM 0 HD3 PRO A 50 12.573 15.459 1.071 1.00 24.44 H new ATOM 767 N TYR A 51 11.129 13.401 -3.861 1.00 22.52 N ATOM 768 CA TYR A 51 10.067 12.878 -4.733 1.00 62.41 C ATOM 769 C TYR A 51 8.782 12.329 -4.021 1.00 42.21 C ATOM 770 O TYR A 51 7.716 12.358 -4.623 1.00 12.31 O ATOM 771 CB TYR A 51 10.605 12.000 -5.877 1.00 1.44 C ATOM 772 CG TYR A 51 11.592 10.931 -5.480 1.00 40.24 C ATOM 773 CD1 TYR A 51 12.920 11.253 -5.268 1.00 72.13 C ATOM 774 CD2 TYR A 51 11.212 9.611 -5.331 1.00 32.25 C ATOM 775 CE1 TYR A 51 13.836 10.302 -4.921 1.00 44.35 C ATOM 776 CE2 TYR A 51 12.131 8.647 -4.984 1.00 32.25 C ATOM 777 CZ TYR A 51 13.444 9.005 -4.781 1.00 40.31 C ATOM 778 OH TYR A 51 14.369 8.058 -4.438 1.00 33.02 O ATOM 0 H TYR A 51 12.032 12.943 -3.981 1.00 22.52 H new ATOM 0 HA TYR A 51 9.668 13.771 -5.213 1.00 62.41 H new ATOM 0 HB2 TYR A 51 9.759 11.521 -6.370 1.00 1.44 H new ATOM 0 HB3 TYR A 51 11.078 12.648 -6.615 1.00 1.44 H new ATOM 0 HD1 TYR A 51 13.239 12.279 -5.379 1.00 72.13 H new ATOM 0 HD2 TYR A 51 10.181 9.332 -5.489 1.00 32.25 H new ATOM 0 HE1 TYR A 51 14.868 10.577 -4.758 1.00 44.35 H new ATOM 0 HE2 TYR A 51 11.824 7.618 -4.872 1.00 32.25 H new ATOM 0 HH TYR A 51 15.071 8.469 -3.891 1.00 33.02 H new ATOM 788 N PRO A 52 8.877 11.749 -2.773 1.00 71.52 N ATOM 789 CA PRO A 52 7.709 11.524 -1.877 1.00 22.21 C ATOM 790 C PRO A 52 6.676 12.733 -1.898 1.00 12.54 C ATOM 791 O PRO A 52 7.000 13.808 -2.360 1.00 34.41 O ATOM 792 CB PRO A 52 8.372 11.388 -0.489 1.00 4.23 C ATOM 793 CG PRO A 52 9.856 11.421 -0.726 1.00 10.01 C ATOM 794 CD PRO A 52 10.065 11.164 -2.180 1.00 31.23 C ATOM 0 HA PRO A 52 7.116 10.659 -2.175 1.00 22.21 H new ATOM 0 HB2 PRO A 52 8.065 12.200 0.170 1.00 4.23 H new ATOM 0 HB3 PRO A 52 8.076 10.457 -0.006 1.00 4.23 H new ATOM 0 HG2 PRO A 52 10.272 12.387 -0.440 1.00 10.01 H new ATOM 0 HG3 PRO A 52 10.361 10.666 -0.123 1.00 10.01 H new ATOM 0 HD2 PRO A 52 10.977 11.634 -2.549 1.00 31.23 H new ATOM 0 HD3 PRO A 52 10.145 10.099 -2.397 1.00 31.23 H new ATOM 802 N CYS A 53 5.470 12.578 -1.331 1.00 34.24 N ATOM 803 CA CYS A 53 5.097 11.476 -0.478 1.00 72.40 C ATOM 804 C CYS A 53 3.690 11.006 -0.784 1.00 41.12 C ATOM 805 O CYS A 53 3.045 11.507 -1.703 1.00 13.23 O ATOM 806 CB CYS A 53 5.108 12.005 0.959 1.00 2.22 C ATOM 807 SG CYS A 53 3.894 13.321 1.277 1.00 21.20 S ATOM 0 H CYS A 53 4.713 13.248 -1.468 1.00 34.24 H new ATOM 0 HA CYS A 53 5.786 10.645 -0.629 1.00 72.40 H new ATOM 0 HB2 CYS A 53 4.916 11.177 1.641 1.00 2.22 H new ATOM 0 HB3 CYS A 53 6.105 12.382 1.188 1.00 2.22 H new ATOM 0 HG CYS A 53 3.979 13.700 2.518 1.00 21.20 H new ATOM 813 N ILE A 54 3.217 10.054 -0.001 1.00 21.54 N ATOM 814 CA ILE A 54 1.853 9.613 -0.070 1.00 4.25 C ATOM 815 C ILE A 54 1.244 9.762 1.296 1.00 62.40 C ATOM 816 O ILE A 54 1.921 9.544 2.301 1.00 64.05 O ATOM 817 CB ILE A 54 1.689 8.130 -0.515 1.00 70.10 C ATOM 818 CG1 ILE A 54 2.347 7.145 0.465 1.00 41.40 C ATOM 819 CG2 ILE A 54 2.205 7.923 -1.912 1.00 40.24 C ATOM 820 CD1 ILE A 54 2.095 5.688 0.131 1.00 30.43 C ATOM 0 H ILE A 54 3.777 9.569 0.700 1.00 21.54 H new ATOM 0 HA ILE A 54 1.359 10.226 -0.824 1.00 4.25 H new ATOM 0 HB ILE A 54 0.620 7.918 -0.508 1.00 70.10 H new ATOM 0 HG12 ILE A 54 3.422 7.324 0.478 1.00 41.40 H new ATOM 0 HG13 ILE A 54 1.978 7.347 1.471 1.00 41.40 H new ATOM 0 HG21 ILE A 54 2.078 6.878 -2.196 1.00 40.24 H new ATOM 0 HG22 ILE A 54 1.649 8.557 -2.603 1.00 40.24 H new ATOM 0 HG23 ILE A 54 3.263 8.183 -1.951 1.00 40.24 H new ATOM 0 HD11 ILE A 54 2.591 5.055 0.867 1.00 30.43 H new ATOM 0 HD12 ILE A 54 1.023 5.491 0.147 1.00 30.43 H new ATOM 0 HD13 ILE A 54 2.490 5.469 -0.861 1.00 30.43 H new ATOM 832 N VAL A 55 0.006 10.174 1.337 1.00 44.22 N ATOM 833 CA VAL A 55 -0.747 10.292 2.588 1.00 5.34 C ATOM 834 C VAL A 55 -2.199 10.015 2.312 1.00 44.11 C ATOM 835 O VAL A 55 -2.646 10.122 1.153 1.00 31.13 O ATOM 836 CB VAL A 55 -0.619 11.696 3.303 1.00 13.41 C ATOM 837 CG1 VAL A 55 0.792 11.957 3.776 1.00 45.21 C ATOM 838 CG2 VAL A 55 -1.061 12.815 2.398 1.00 40.43 C ATOM 0 H VAL A 55 -0.525 10.442 0.508 1.00 44.22 H new ATOM 0 HA VAL A 55 -0.314 9.563 3.272 1.00 5.34 H new ATOM 0 HB VAL A 55 -1.276 11.663 4.172 1.00 13.41 H new ATOM 0 HG11 VAL A 55 0.838 12.932 4.262 1.00 45.21 H new ATOM 0 HG12 VAL A 55 1.087 11.184 4.485 1.00 45.21 H new ATOM 0 HG13 VAL A 55 1.470 11.944 2.923 1.00 45.21 H new ATOM 0 HG21 VAL A 55 -0.960 13.767 2.920 1.00 40.43 H new ATOM 0 HG22 VAL A 55 -0.440 12.825 1.502 1.00 40.43 H new ATOM 0 HG23 VAL A 55 -2.103 12.665 2.116 1.00 40.43 H new ATOM 848 N SER A 56 -2.932 9.658 3.332 1.00 52.02 N ATOM 849 CA SER A 56 -4.331 9.387 3.187 1.00 24.30 C ATOM 850 C SER A 56 -5.112 10.695 3.170 1.00 32.42 C ATOM 851 O SER A 56 -5.485 11.238 4.206 1.00 40.03 O ATOM 852 CB SER A 56 -4.829 8.456 4.299 1.00 62.42 C ATOM 853 OG SER A 56 -4.054 7.258 4.338 1.00 52.14 O ATOM 0 H SER A 56 -2.576 9.548 4.281 1.00 52.02 H new ATOM 0 HA SER A 56 -4.493 8.875 2.239 1.00 24.30 H new ATOM 0 HB2 SER A 56 -4.769 8.965 5.261 1.00 62.42 H new ATOM 0 HB3 SER A 56 -5.878 8.211 4.133 1.00 62.42 H new ATOM 0 HG SER A 56 -3.373 7.286 3.634 1.00 52.14 H new ATOM 859 N SER A 57 -5.263 11.229 1.997 1.00 32.34 N ATOM 860 CA SER A 57 -6.003 12.431 1.784 1.00 74.22 C ATOM 861 C SER A 57 -6.703 12.276 0.456 1.00 13.24 C ATOM 862 O SER A 57 -7.926 12.173 0.400 1.00 12.42 O ATOM 863 CB SER A 57 -5.065 13.660 1.801 1.00 41.35 C ATOM 864 OG SER A 57 -5.776 14.881 1.662 1.00 62.30 O ATOM 0 H SER A 57 -4.867 10.832 1.145 1.00 32.34 H new ATOM 0 HA SER A 57 -6.732 12.596 2.577 1.00 74.22 H new ATOM 0 HB2 SER A 57 -4.504 13.673 2.735 1.00 41.35 H new ATOM 0 HB3 SER A 57 -4.338 13.571 0.994 1.00 41.35 H new ATOM 0 HG SER A 57 -5.361 15.423 0.959 1.00 62.30 H new ATOM 870 N ASP A 58 -5.935 12.215 -0.609 1.00 73.13 N ATOM 871 CA ASP A 58 -6.501 11.921 -1.894 1.00 32.31 C ATOM 872 C ASP A 58 -6.654 10.418 -1.959 1.00 31.33 C ATOM 873 O ASP A 58 -5.692 9.684 -1.729 1.00 54.12 O ATOM 874 CB ASP A 58 -5.593 12.418 -3.014 1.00 63.12 C ATOM 875 CG ASP A 58 -6.207 12.263 -4.385 1.00 52.44 C ATOM 876 OD1 ASP A 58 -6.206 11.142 -4.936 1.00 44.02 O ATOM 877 OD2 ASP A 58 -6.680 13.276 -4.943 1.00 33.51 O ATOM 0 H ASP A 58 -4.926 12.365 -0.606 1.00 73.13 H new ATOM 0 HA ASP A 58 -7.461 12.421 -2.022 1.00 32.31 H new ATOM 0 HB2 ASP A 58 -5.358 13.469 -2.844 1.00 63.12 H new ATOM 0 HB3 ASP A 58 -4.651 11.871 -2.980 1.00 63.12 H new ATOM 882 N SER A 59 -7.840 9.970 -2.243 1.00 25.41 N ATOM 883 CA SER A 59 -8.169 8.556 -2.215 1.00 33.12 C ATOM 884 C SER A 59 -7.808 7.834 -3.521 1.00 20.42 C ATOM 885 O SER A 59 -8.276 6.722 -3.765 1.00 52.15 O ATOM 886 CB SER A 59 -9.651 8.399 -1.900 1.00 64.13 C ATOM 887 OG SER A 59 -9.960 9.014 -0.649 1.00 12.40 O ATOM 0 H SER A 59 -8.621 10.572 -2.504 1.00 25.41 H new ATOM 0 HA SER A 59 -7.569 8.086 -1.436 1.00 33.12 H new ATOM 0 HB2 SER A 59 -10.248 8.851 -2.692 1.00 64.13 H new ATOM 0 HB3 SER A 59 -9.913 7.341 -1.867 1.00 64.13 H new ATOM 0 HG SER A 59 -10.916 8.907 -0.459 1.00 12.40 H new ATOM 893 N GLY A 60 -6.989 8.468 -4.344 1.00 53.44 N ATOM 894 CA GLY A 60 -6.574 7.894 -5.604 1.00 20.03 C ATOM 895 C GLY A 60 -5.626 6.727 -5.481 1.00 44.12 C ATOM 896 O GLY A 60 -5.698 5.938 -4.535 1.00 33.45 O ATOM 0 H GLY A 60 -6.597 9.391 -4.155 1.00 53.44 H new ATOM 0 HA2 GLY A 60 -7.460 7.569 -6.150 1.00 20.03 H new ATOM 0 HA3 GLY A 60 -6.098 8.670 -6.203 1.00 20.03 H new ATOM 900 N LYS A 61 -4.737 6.587 -6.450 1.00 52.43 N ATOM 901 CA LYS A 61 -3.822 5.479 -6.436 1.00 62.31 C ATOM 902 C LYS A 61 -2.431 5.909 -6.878 1.00 4.32 C ATOM 903 O LYS A 61 -2.269 6.888 -7.624 1.00 75.32 O ATOM 904 CB LYS A 61 -4.310 4.341 -7.326 1.00 63.05 C ATOM 905 CG LYS A 61 -5.772 3.942 -7.122 1.00 23.23 C ATOM 906 CD LYS A 61 -6.096 2.634 -7.803 1.00 1.40 C ATOM 907 CE LYS A 61 -5.650 2.625 -9.234 1.00 64.52 C ATOM 908 NZ LYS A 61 -6.306 3.678 -10.049 1.00 42.54 N ATOM 0 H LYS A 61 -4.636 7.222 -7.242 1.00 52.43 H new ATOM 0 HA LYS A 61 -3.772 5.121 -5.408 1.00 62.31 H new ATOM 0 HB2 LYS A 61 -4.170 4.629 -8.368 1.00 63.05 H new ATOM 0 HB3 LYS A 61 -3.683 3.467 -7.150 1.00 63.05 H new ATOM 0 HG2 LYS A 61 -5.981 3.858 -6.055 1.00 23.23 H new ATOM 0 HG3 LYS A 61 -6.421 4.726 -7.513 1.00 23.23 H new ATOM 0 HD2 LYS A 61 -5.614 1.816 -7.267 1.00 1.40 H new ATOM 0 HD3 LYS A 61 -7.170 2.456 -7.756 1.00 1.40 H new ATOM 0 HE2 LYS A 61 -4.569 2.762 -9.274 1.00 64.52 H new ATOM 0 HE3 LYS A 61 -5.864 1.649 -9.670 1.00 64.52 H new ATOM 0 HZ1 LYS A 61 -5.999 3.592 -11.039 1.00 42.54 H new ATOM 0 HZ2 LYS A 61 -7.339 3.565 -9.996 1.00 42.54 H new ATOM 0 HZ3 LYS A 61 -6.041 4.615 -9.684 1.00 42.54 H new ATOM 922 N VAL A 62 -1.443 5.179 -6.420 1.00 0.40 N ATOM 923 CA VAL A 62 -0.050 5.451 -6.716 1.00 2.32 C ATOM 924 C VAL A 62 0.532 4.319 -7.545 1.00 33.33 C ATOM 925 O VAL A 62 0.502 3.174 -7.127 1.00 61.24 O ATOM 926 CB VAL A 62 0.772 5.529 -5.407 1.00 44.44 C ATOM 927 CG1 VAL A 62 2.220 5.902 -5.671 1.00 60.11 C ATOM 928 CG2 VAL A 62 0.149 6.488 -4.440 1.00 23.04 C ATOM 0 H VAL A 62 -1.583 4.365 -5.821 1.00 0.40 H new ATOM 0 HA VAL A 62 -0.000 6.396 -7.256 1.00 2.32 H new ATOM 0 HB VAL A 62 0.764 4.534 -4.962 1.00 44.44 H new ATOM 0 HG11 VAL A 62 2.762 5.946 -4.727 1.00 60.11 H new ATOM 0 HG12 VAL A 62 2.677 5.152 -6.317 1.00 60.11 H new ATOM 0 HG13 VAL A 62 2.262 6.876 -6.159 1.00 60.11 H new ATOM 0 HG21 VAL A 62 0.746 6.525 -3.528 1.00 23.04 H new ATOM 0 HG22 VAL A 62 0.109 7.481 -4.887 1.00 23.04 H new ATOM 0 HG23 VAL A 62 -0.861 6.157 -4.199 1.00 23.04 H new ATOM 938 N ASN A 63 1.057 4.632 -8.691 1.00 63.03 N ATOM 939 CA ASN A 63 1.700 3.628 -9.527 1.00 34.05 C ATOM 940 C ASN A 63 3.191 3.607 -9.252 1.00 3.14 C ATOM 941 O ASN A 63 3.865 4.644 -9.350 1.00 13.45 O ATOM 942 CB ASN A 63 1.427 3.872 -11.027 1.00 55.31 C ATOM 943 CG ASN A 63 -0.005 3.552 -11.438 1.00 51.42 C ATOM 944 OD1 ASN A 63 -0.305 2.432 -11.848 1.00 61.20 O ATOM 945 ND2 ASN A 63 -0.895 4.513 -11.329 1.00 12.23 N ATOM 0 H ASN A 63 1.060 5.574 -9.081 1.00 63.03 H new ATOM 0 HA ASN A 63 1.275 2.656 -9.275 1.00 34.05 H new ATOM 0 HB2 ASN A 63 1.641 4.914 -11.264 1.00 55.31 H new ATOM 0 HB3 ASN A 63 2.112 3.264 -11.618 1.00 55.31 H new ATOM 0 HD21 ASN A 63 -1.866 4.340 -11.588 1.00 12.23 H new ATOM 0 HD22 ASN A 63 -0.614 5.431 -10.985 1.00 12.23 H new ATOM 952 N GLY A 64 3.696 2.451 -8.893 1.00 53.10 N ATOM 953 CA GLY A 64 5.095 2.301 -8.586 1.00 3.13 C ATOM 954 C GLY A 64 5.548 0.875 -8.790 1.00 63.22 C ATOM 955 O GLY A 64 5.006 0.163 -9.645 1.00 3.21 O ATOM 0 H GLY A 64 3.151 1.593 -8.806 1.00 53.10 H new ATOM 0 HA2 GLY A 64 5.682 2.966 -9.219 1.00 3.13 H new ATOM 0 HA3 GLY A 64 5.278 2.599 -7.554 1.00 3.13 H new ATOM 959 N LYS A 65 6.519 0.436 -8.016 1.00 61.22 N ATOM 960 CA LYS A 65 7.034 -0.912 -8.135 1.00 41.14 C ATOM 961 C LYS A 65 7.258 -1.478 -6.743 1.00 15.42 C ATOM 962 O LYS A 65 7.429 -0.715 -5.781 1.00 12.23 O ATOM 963 CB LYS A 65 8.335 -0.941 -8.989 1.00 73.32 C ATOM 964 CG LYS A 65 8.145 -0.415 -10.427 1.00 22.35 C ATOM 965 CD LYS A 65 9.444 -0.362 -11.231 1.00 44.15 C ATOM 966 CE LYS A 65 10.023 -1.742 -11.508 1.00 65.14 C ATOM 967 NZ LYS A 65 11.286 -1.667 -12.285 1.00 2.54 N ATOM 0 H LYS A 65 6.970 0.997 -7.293 1.00 61.22 H new ATOM 0 HA LYS A 65 6.308 -1.537 -8.655 1.00 41.14 H new ATOM 0 HB2 LYS A 65 9.099 -0.344 -8.491 1.00 73.32 H new ATOM 0 HB3 LYS A 65 8.708 -1.964 -9.032 1.00 73.32 H new ATOM 0 HG2 LYS A 65 7.430 -1.052 -10.947 1.00 22.35 H new ATOM 0 HG3 LYS A 65 7.711 0.584 -10.386 1.00 22.35 H new ATOM 0 HD2 LYS A 65 9.260 0.146 -12.177 1.00 44.15 H new ATOM 0 HD3 LYS A 65 10.178 0.233 -10.688 1.00 44.15 H new ATOM 0 HE2 LYS A 65 10.208 -2.254 -10.564 1.00 65.14 H new ATOM 0 HE3 LYS A 65 9.294 -2.338 -12.057 1.00 65.14 H new ATOM 0 HZ1 LYS A 65 11.367 -2.504 -12.898 1.00 2.54 H new ATOM 0 HZ2 LYS A 65 11.283 -0.808 -12.871 1.00 2.54 H new ATOM 0 HZ3 LYS A 65 12.094 -1.637 -11.631 1.00 2.54 H new ATOM 981 N VAL A 66 7.260 -2.789 -6.626 1.00 22.33 N ATOM 982 CA VAL A 66 7.370 -3.445 -5.332 1.00 34.34 C ATOM 983 C VAL A 66 8.501 -4.423 -5.320 1.00 53.25 C ATOM 984 O VAL A 66 8.625 -5.259 -6.224 1.00 74.24 O ATOM 985 CB VAL A 66 6.061 -4.158 -4.858 1.00 5.35 C ATOM 986 CG1 VAL A 66 4.975 -3.167 -4.602 1.00 12.43 C ATOM 987 CG2 VAL A 66 5.582 -5.197 -5.851 1.00 52.32 C ATOM 0 H VAL A 66 7.186 -3.430 -7.416 1.00 22.33 H new ATOM 0 HA VAL A 66 7.561 -2.638 -4.624 1.00 34.34 H new ATOM 0 HB VAL A 66 6.306 -4.671 -3.928 1.00 5.35 H new ATOM 0 HG11 VAL A 66 4.076 -3.689 -4.274 1.00 12.43 H new ATOM 0 HG12 VAL A 66 5.294 -2.470 -3.827 1.00 12.43 H new ATOM 0 HG13 VAL A 66 4.761 -2.617 -5.518 1.00 12.43 H new ATOM 0 HG21 VAL A 66 4.671 -5.664 -5.478 1.00 52.32 H new ATOM 0 HG22 VAL A 66 5.378 -4.718 -6.809 1.00 52.32 H new ATOM 0 HG23 VAL A 66 6.352 -5.957 -5.982 1.00 52.32 H new ATOM 997 N ILE A 67 9.326 -4.316 -4.329 1.00 51.04 N ATOM 998 CA ILE A 67 10.476 -5.164 -4.205 1.00 10.11 C ATOM 999 C ILE A 67 10.052 -6.377 -3.409 1.00 15.45 C ATOM 1000 O ILE A 67 9.628 -6.248 -2.255 1.00 61.42 O ATOM 1001 CB ILE A 67 11.619 -4.438 -3.465 1.00 1.13 C ATOM 1002 CG1 ILE A 67 11.689 -3.007 -3.943 1.00 12.14 C ATOM 1003 CG2 ILE A 67 12.929 -5.122 -3.809 1.00 42.32 C ATOM 1004 CD1 ILE A 67 12.453 -2.175 -3.000 1.00 15.21 C ATOM 0 H ILE A 67 9.224 -3.635 -3.576 1.00 51.04 H new ATOM 0 HA ILE A 67 10.843 -5.442 -5.193 1.00 10.11 H new ATOM 0 HB ILE A 67 11.441 -4.466 -2.390 1.00 1.13 H new ATOM 0 HG12 ILE A 67 12.156 -2.971 -4.927 1.00 12.14 H new ATOM 0 HG13 ILE A 67 10.681 -2.607 -4.053 1.00 12.14 H new ATOM 0 HG21 ILE A 67 13.748 -4.620 -3.293 1.00 42.32 H new ATOM 0 HG22 ILE A 67 12.888 -6.165 -3.496 1.00 42.32 H new ATOM 0 HG23 ILE A 67 13.094 -5.073 -4.885 1.00 42.32 H new ATOM 0 HD11 ILE A 67 12.489 -1.149 -3.367 1.00 15.21 H new ATOM 0 HD12 ILE A 67 11.970 -2.195 -2.023 1.00 15.21 H new ATOM 0 HD13 ILE A 67 13.467 -2.564 -2.911 1.00 15.21 H new ATOM 1016 N THR A 68 10.111 -7.525 -4.021 1.00 20.11 N ATOM 1017 CA THR A 68 9.678 -8.737 -3.368 1.00 42.52 C ATOM 1018 C THR A 68 10.876 -9.529 -2.850 1.00 53.20 C ATOM 1019 O THR A 68 12.002 -9.312 -3.299 1.00 75.01 O ATOM 1020 CB THR A 68 8.825 -9.617 -4.335 1.00 14.21 C ATOM 1021 OG1 THR A 68 9.594 -10.001 -5.492 1.00 13.10 O ATOM 1022 CG2 THR A 68 7.594 -8.855 -4.804 1.00 11.00 C ATOM 0 H THR A 68 10.455 -7.652 -4.973 1.00 20.11 H new ATOM 0 HA THR A 68 9.054 -8.456 -2.519 1.00 42.52 H new ATOM 0 HB THR A 68 8.522 -10.509 -3.786 1.00 14.21 H new ATOM 0 HG1 THR A 68 9.862 -9.199 -5.988 1.00 13.10 H new ATOM 0 HG21 THR A 68 7.011 -9.484 -5.477 1.00 11.00 H new ATOM 0 HG22 THR A 68 6.984 -8.583 -3.942 1.00 11.00 H new ATOM 0 HG23 THR A 68 7.904 -7.951 -5.329 1.00 11.00 H new ATOM 1030 N GLY A 69 10.627 -10.436 -1.917 1.00 1.40 N ATOM 1031 CA GLY A 69 11.683 -11.262 -1.377 1.00 43.40 C ATOM 1032 C GLY A 69 12.456 -10.578 -0.279 1.00 73.05 C ATOM 1033 O GLY A 69 13.654 -10.797 -0.126 1.00 22.42 O ATOM 0 H GLY A 69 9.703 -10.614 -1.522 1.00 1.40 H new ATOM 0 HA2 GLY A 69 11.254 -12.187 -0.991 1.00 43.40 H new ATOM 0 HA3 GLY A 69 12.367 -11.539 -2.179 1.00 43.40 H new ATOM 1037 N VAL A 70 11.784 -9.752 0.495 1.00 21.11 N ATOM 1038 CA VAL A 70 12.442 -9.037 1.556 1.00 44.40 C ATOM 1039 C VAL A 70 12.203 -9.722 2.893 1.00 42.34 C ATOM 1040 O VAL A 70 11.066 -9.912 3.301 1.00 43.44 O ATOM 1041 CB VAL A 70 11.933 -7.574 1.633 1.00 45.33 C ATOM 1042 CG1 VAL A 70 12.648 -6.819 2.725 1.00 51.41 C ATOM 1043 CG2 VAL A 70 12.098 -6.874 0.287 1.00 64.10 C ATOM 0 H VAL A 70 10.786 -9.563 0.406 1.00 21.11 H new ATOM 0 HA VAL A 70 13.510 -9.032 1.339 1.00 44.40 H new ATOM 0 HB VAL A 70 10.870 -7.593 1.875 1.00 45.33 H new ATOM 0 HG11 VAL A 70 12.277 -5.795 2.763 1.00 51.41 H new ATOM 0 HG12 VAL A 70 12.467 -7.306 3.683 1.00 51.41 H new ATOM 0 HG13 VAL A 70 13.718 -6.809 2.520 1.00 51.41 H new ATOM 0 HG21 VAL A 70 11.735 -5.849 0.363 1.00 64.10 H new ATOM 0 HG22 VAL A 70 13.152 -6.866 0.008 1.00 64.10 H new ATOM 0 HG23 VAL A 70 11.525 -7.406 -0.473 1.00 64.10 H new ATOM 1053 N SER A 71 13.243 -10.101 3.572 1.00 52.41 N ATOM 1054 CA SER A 71 13.073 -10.673 4.875 1.00 44.45 C ATOM 1055 C SER A 71 12.836 -9.561 5.909 1.00 1.20 C ATOM 1056 O SER A 71 13.172 -8.399 5.665 1.00 65.12 O ATOM 1057 CB SER A 71 14.244 -11.576 5.234 1.00 63.01 C ATOM 1058 OG SER A 71 14.334 -12.654 4.315 1.00 1.25 O ATOM 0 H SER A 71 14.208 -10.026 3.251 1.00 52.41 H new ATOM 0 HA SER A 71 12.189 -11.311 4.876 1.00 44.45 H new ATOM 0 HB2 SER A 71 15.171 -11.002 5.224 1.00 63.01 H new ATOM 0 HB3 SER A 71 14.118 -11.961 6.246 1.00 63.01 H new ATOM 0 HG SER A 71 15.092 -13.227 4.556 1.00 1.25 H new ATOM 1064 N ASP A 72 12.244 -9.923 7.031 1.00 25.23 N ATOM 1065 CA ASP A 72 11.865 -8.954 8.109 1.00 32.51 C ATOM 1066 C ASP A 72 13.027 -8.058 8.550 1.00 25.20 C ATOM 1067 O ASP A 72 12.827 -6.883 8.861 1.00 30.42 O ATOM 1068 CB ASP A 72 11.304 -9.684 9.348 1.00 50.51 C ATOM 1069 CG ASP A 72 12.348 -10.459 10.124 1.00 53.13 C ATOM 1070 OD1 ASP A 72 12.839 -11.486 9.619 1.00 23.13 O ATOM 1071 OD2 ASP A 72 12.680 -10.060 11.254 1.00 53.10 O ATOM 0 H ASP A 72 12.001 -10.890 7.246 1.00 25.23 H new ATOM 0 HA ASP A 72 11.096 -8.319 7.669 1.00 32.51 H new ATOM 0 HB2 ASP A 72 10.841 -8.953 10.010 1.00 50.51 H new ATOM 0 HB3 ASP A 72 10.518 -10.369 9.030 1.00 50.51 H new ATOM 1076 N ALA A 73 14.227 -8.593 8.555 1.00 73.24 N ATOM 1077 CA ALA A 73 15.391 -7.825 8.990 1.00 30.15 C ATOM 1078 C ALA A 73 15.860 -6.901 7.892 1.00 23.11 C ATOM 1079 O ALA A 73 16.237 -5.760 8.137 1.00 21.40 O ATOM 1080 CB ALA A 73 16.515 -8.749 9.419 1.00 12.24 C ATOM 0 H ALA A 73 14.431 -9.550 8.266 1.00 73.24 H new ATOM 0 HA ALA A 73 15.096 -7.221 9.848 1.00 30.15 H new ATOM 0 HB1 ALA A 73 17.372 -8.156 9.739 1.00 12.24 H new ATOM 0 HB2 ALA A 73 16.177 -9.374 10.246 1.00 12.24 H new ATOM 0 HB3 ALA A 73 16.805 -9.383 8.581 1.00 12.24 H new ATOM 1086 N GLU A 74 15.781 -7.389 6.681 1.00 2.11 N ATOM 1087 CA GLU A 74 16.226 -6.675 5.486 1.00 34.31 C ATOM 1088 C GLU A 74 15.318 -5.488 5.241 1.00 74.15 C ATOM 1089 O GLU A 74 15.734 -4.454 4.718 1.00 1.03 O ATOM 1090 CB GLU A 74 16.130 -7.616 4.297 1.00 62.45 C ATOM 1091 CG GLU A 74 16.778 -8.971 4.512 1.00 33.41 C ATOM 1092 CD GLU A 74 18.231 -8.895 4.860 1.00 24.03 C ATOM 1093 OE1 GLU A 74 19.065 -8.726 3.945 1.00 64.11 O ATOM 1094 OE2 GLU A 74 18.560 -9.017 6.062 1.00 72.44 O ATOM 0 H GLU A 74 15.399 -8.313 6.481 1.00 2.11 H new ATOM 0 HA GLU A 74 17.252 -6.331 5.620 1.00 34.31 H new ATOM 0 HB2 GLU A 74 15.078 -7.765 4.052 1.00 62.45 H new ATOM 0 HB3 GLU A 74 16.594 -7.139 3.434 1.00 62.45 H new ATOM 0 HG2 GLU A 74 16.250 -9.494 5.309 1.00 33.41 H new ATOM 0 HG3 GLU A 74 16.661 -9.567 3.607 1.00 33.41 H new ATOM 1101 N LEU A 75 14.075 -5.660 5.647 1.00 74.13 N ATOM 1102 CA LEU A 75 13.027 -4.679 5.477 1.00 14.44 C ATOM 1103 C LEU A 75 13.421 -3.383 6.183 1.00 65.20 C ATOM 1104 O LEU A 75 13.148 -2.285 5.691 1.00 52.33 O ATOM 1105 CB LEU A 75 11.722 -5.270 6.062 1.00 4.32 C ATOM 1106 CG LEU A 75 10.358 -4.599 5.747 1.00 12.24 C ATOM 1107 CD1 LEU A 75 9.273 -5.419 6.381 1.00 74.23 C ATOM 1108 CD2 LEU A 75 10.262 -3.157 6.246 1.00 33.15 C ATOM 0 H LEU A 75 13.760 -6.509 6.116 1.00 74.13 H new ATOM 0 HA LEU A 75 12.873 -4.446 4.423 1.00 14.44 H new ATOM 0 HB2 LEU A 75 11.658 -6.306 5.730 1.00 4.32 H new ATOM 0 HB3 LEU A 75 11.832 -5.288 7.146 1.00 4.32 H new ATOM 0 HG LEU A 75 10.252 -4.559 4.663 1.00 12.24 H new ATOM 0 HD11 LEU A 75 8.304 -4.965 6.172 1.00 74.23 H new ATOM 0 HD12 LEU A 75 9.295 -6.430 5.973 1.00 74.23 H new ATOM 0 HD13 LEU A 75 9.430 -5.459 7.459 1.00 74.23 H new ATOM 0 HD21 LEU A 75 9.284 -2.749 5.993 1.00 33.15 H new ATOM 0 HD22 LEU A 75 10.395 -3.137 7.328 1.00 33.15 H new ATOM 0 HD23 LEU A 75 11.039 -2.556 5.774 1.00 33.15 H new ATOM 1120 N ASN A 76 14.107 -3.525 7.303 1.00 72.34 N ATOM 1121 CA ASN A 76 14.519 -2.391 8.109 1.00 0.35 C ATOM 1122 C ASN A 76 15.428 -1.455 7.312 1.00 31.44 C ATOM 1123 O ASN A 76 15.414 -0.251 7.526 1.00 52.31 O ATOM 1124 CB ASN A 76 15.235 -2.857 9.386 1.00 14.20 C ATOM 1125 CG ASN A 76 15.577 -1.717 10.358 1.00 31.42 C ATOM 1126 OD1 ASN A 76 16.591 -1.762 11.039 1.00 23.35 O ATOM 1127 ND2 ASN A 76 14.713 -0.727 10.470 1.00 62.20 N ATOM 0 H ASN A 76 14.394 -4.429 7.679 1.00 72.34 H new ATOM 0 HA ASN A 76 13.620 -1.844 8.393 1.00 0.35 H new ATOM 0 HB2 ASN A 76 14.605 -3.583 9.900 1.00 14.20 H new ATOM 0 HB3 ASN A 76 16.154 -3.373 9.108 1.00 14.20 H new ATOM 0 HD21 ASN A 76 14.883 0.025 11.137 1.00 62.20 H new ATOM 0 HD22 ASN A 76 13.874 -0.714 9.889 1.00 62.20 H new ATOM 1134 N ASN A 77 16.161 -2.003 6.334 1.00 24.21 N ATOM 1135 CA ASN A 77 17.115 -1.204 5.566 1.00 53.45 C ATOM 1136 C ASN A 77 16.334 -0.219 4.702 1.00 72.24 C ATOM 1137 O ASN A 77 16.785 0.898 4.463 1.00 53.44 O ATOM 1138 CB ASN A 77 18.034 -2.111 4.706 1.00 62.10 C ATOM 1139 CG ASN A 77 19.277 -1.416 4.065 1.00 54.41 C ATOM 1140 OD1 ASN A 77 20.308 -2.058 3.867 1.00 63.33 O ATOM 1141 ND2 ASN A 77 19.198 -0.140 3.734 1.00 53.42 N ATOM 0 H ASN A 77 16.111 -2.984 6.061 1.00 24.21 H new ATOM 0 HA ASN A 77 17.766 -0.652 6.244 1.00 53.45 H new ATOM 0 HB2 ASN A 77 18.384 -2.934 5.329 1.00 62.10 H new ATOM 0 HB3 ASN A 77 17.435 -2.548 3.907 1.00 62.10 H new ATOM 0 HD21 ASN A 77 19.999 0.327 3.308 1.00 53.42 H new ATOM 0 HD22 ASN A 77 18.336 0.379 3.904 1.00 53.42 H new ATOM 1148 N PHE A 78 15.135 -0.625 4.273 1.00 41.23 N ATOM 1149 CA PHE A 78 14.265 0.247 3.482 1.00 44.54 C ATOM 1150 C PHE A 78 13.779 1.387 4.312 1.00 11.44 C ATOM 1151 O PHE A 78 13.636 2.485 3.832 1.00 30.53 O ATOM 1152 CB PHE A 78 13.061 -0.496 2.905 1.00 43.13 C ATOM 1153 CG PHE A 78 13.427 -1.543 1.935 1.00 33.32 C ATOM 1154 CD1 PHE A 78 13.948 -1.197 0.712 1.00 41.04 C ATOM 1155 CD2 PHE A 78 13.274 -2.870 2.245 1.00 3.25 C ATOM 1156 CE1 PHE A 78 14.307 -2.157 -0.188 1.00 53.51 C ATOM 1157 CE2 PHE A 78 13.640 -3.838 1.345 1.00 73.24 C ATOM 1158 CZ PHE A 78 14.157 -3.479 0.125 1.00 42.12 C ATOM 0 H PHE A 78 14.747 -1.549 4.460 1.00 41.23 H new ATOM 0 HA PHE A 78 14.866 0.614 2.650 1.00 44.54 H new ATOM 0 HB2 PHE A 78 12.498 -0.949 3.721 1.00 43.13 H new ATOM 0 HB3 PHE A 78 12.399 0.222 2.421 1.00 43.13 H new ATOM 0 HD1 PHE A 78 14.075 -0.154 0.461 1.00 41.04 H new ATOM 0 HD2 PHE A 78 12.863 -3.154 3.203 1.00 3.25 H new ATOM 0 HE1 PHE A 78 14.710 -1.872 -1.149 1.00 53.51 H new ATOM 0 HE2 PHE A 78 13.522 -4.882 1.596 1.00 73.24 H new ATOM 0 HZ PHE A 78 14.445 -4.239 -0.586 1.00 42.12 H new ATOM 1168 N ASP A 79 13.546 1.121 5.566 1.00 4.45 N ATOM 1169 CA ASP A 79 13.062 2.133 6.485 1.00 15.14 C ATOM 1170 C ASP A 79 14.175 3.165 6.745 1.00 21.43 C ATOM 1171 O ASP A 79 13.930 4.368 6.859 1.00 41.03 O ATOM 1172 CB ASP A 79 12.628 1.463 7.796 1.00 74.44 C ATOM 1173 CG ASP A 79 11.997 2.416 8.779 1.00 44.44 C ATOM 1174 OD1 ASP A 79 12.724 3.086 9.527 1.00 71.10 O ATOM 1175 OD2 ASP A 79 10.763 2.475 8.843 1.00 44.14 O ATOM 0 H ASP A 79 13.683 0.202 5.987 1.00 4.45 H new ATOM 0 HA ASP A 79 12.204 2.648 6.053 1.00 15.14 H new ATOM 0 HB2 ASP A 79 11.920 0.665 7.570 1.00 74.44 H new ATOM 0 HB3 ASP A 79 13.496 0.996 8.261 1.00 74.44 H new ATOM 1180 N VAL A 80 15.405 2.669 6.789 1.00 2.14 N ATOM 1181 CA VAL A 80 16.600 3.480 7.049 1.00 71.13 C ATOM 1182 C VAL A 80 16.986 4.390 5.844 1.00 30.41 C ATOM 1183 O VAL A 80 17.614 5.443 6.047 1.00 54.53 O ATOM 1184 CB VAL A 80 17.814 2.560 7.451 1.00 74.23 C ATOM 1185 CG1 VAL A 80 19.083 3.362 7.709 1.00 42.15 C ATOM 1186 CG2 VAL A 80 17.472 1.734 8.682 1.00 74.34 C ATOM 0 H VAL A 80 15.609 1.680 6.644 1.00 2.14 H new ATOM 0 HA VAL A 80 16.356 4.141 7.881 1.00 71.13 H new ATOM 0 HB VAL A 80 18.003 1.897 6.607 1.00 74.23 H new ATOM 0 HG11 VAL A 80 19.892 2.685 7.983 1.00 42.15 H new ATOM 0 HG12 VAL A 80 19.357 3.909 6.807 1.00 42.15 H new ATOM 0 HG13 VAL A 80 18.909 4.067 8.522 1.00 42.15 H new ATOM 0 HG21 VAL A 80 18.322 1.104 8.945 1.00 74.34 H new ATOM 0 HG22 VAL A 80 17.242 2.399 9.514 1.00 74.34 H new ATOM 0 HG23 VAL A 80 16.607 1.106 8.470 1.00 74.34 H new ATOM 1196 N ILE A 81 16.572 3.994 4.613 1.00 2.52 N ATOM 1197 CA ILE A 81 16.937 4.715 3.346 1.00 60.43 C ATOM 1198 C ILE A 81 16.807 6.253 3.462 1.00 22.41 C ATOM 1199 O ILE A 81 17.827 6.951 3.556 1.00 64.41 O ATOM 1200 CB ILE A 81 16.125 4.191 2.103 1.00 73.11 C ATOM 1201 CG1 ILE A 81 16.394 2.697 1.852 1.00 15.21 C ATOM 1202 CG2 ILE A 81 16.431 5.002 0.841 1.00 53.22 C ATOM 1203 CD1 ILE A 81 17.840 2.355 1.533 1.00 3.32 C ATOM 0 H ILE A 81 15.982 3.176 4.461 1.00 2.52 H new ATOM 0 HA ILE A 81 17.991 4.489 3.185 1.00 60.43 H new ATOM 0 HB ILE A 81 15.068 4.320 2.338 1.00 73.11 H new ATOM 0 HG12 ILE A 81 16.088 2.134 2.734 1.00 15.21 H new ATOM 0 HG13 ILE A 81 15.766 2.363 1.027 1.00 15.21 H new ATOM 0 HG21 ILE A 81 15.851 4.609 0.006 1.00 53.22 H new ATOM 0 HG22 ILE A 81 16.166 6.046 1.007 1.00 53.22 H new ATOM 0 HG23 ILE A 81 17.494 4.929 0.610 1.00 53.22 H new ATOM 0 HD11 ILE A 81 17.933 1.281 1.372 1.00 3.32 H new ATOM 0 HD12 ILE A 81 18.149 2.885 0.632 1.00 3.32 H new ATOM 0 HD13 ILE A 81 18.477 2.653 2.366 1.00 3.32 H new ATOM 1215 N GLU A 82 15.587 6.773 3.453 1.00 30.43 N ATOM 1216 CA GLU A 82 15.366 8.220 3.612 1.00 1.24 C ATOM 1217 C GLU A 82 14.133 8.489 4.459 1.00 40.32 C ATOM 1218 O GLU A 82 13.593 9.600 4.470 1.00 75.14 O ATOM 1219 CB GLU A 82 15.264 8.967 2.249 1.00 0.21 C ATOM 1220 CG GLU A 82 16.561 8.981 1.436 1.00 31.00 C ATOM 1221 CD GLU A 82 16.504 9.875 0.215 1.00 44.33 C ATOM 1222 OE1 GLU A 82 16.117 9.404 -0.865 1.00 53.41 O ATOM 1223 OE2 GLU A 82 16.885 11.067 0.320 1.00 53.24 O ATOM 0 H GLU A 82 14.734 6.225 3.339 1.00 30.43 H new ATOM 0 HA GLU A 82 16.243 8.614 4.126 1.00 1.24 H new ATOM 0 HB2 GLU A 82 14.480 8.502 1.651 1.00 0.21 H new ATOM 0 HB3 GLU A 82 14.955 9.996 2.435 1.00 0.21 H new ATOM 0 HG2 GLU A 82 17.378 9.309 2.078 1.00 31.00 H new ATOM 0 HG3 GLU A 82 16.793 7.964 1.120 1.00 31.00 H new ATOM 1230 N GLY A 83 13.725 7.489 5.215 1.00 2.11 N ATOM 1231 CA GLY A 83 12.544 7.613 6.035 1.00 15.21 C ATOM 1232 C GLY A 83 12.827 8.198 7.404 1.00 71.44 C ATOM 1233 O GLY A 83 12.621 7.535 8.419 1.00 22.53 O ATOM 0 H GLY A 83 14.195 6.586 5.276 1.00 2.11 H new ATOM 0 HA2 GLY A 83 11.817 8.242 5.521 1.00 15.21 H new ATOM 0 HA3 GLY A 83 12.087 6.630 6.154 1.00 15.21 H new ATOM 1237 N ASN A 84 13.298 9.433 7.432 1.00 21.02 N ATOM 1238 CA ASN A 84 13.577 10.126 8.691 1.00 35.20 C ATOM 1239 C ASN A 84 12.303 10.719 9.245 1.00 62.11 C ATOM 1240 O ASN A 84 12.031 10.623 10.429 1.00 62.03 O ATOM 1241 CB ASN A 84 14.644 11.229 8.497 1.00 44.21 C ATOM 1242 CG ASN A 84 14.942 12.023 9.771 1.00 73.13 C ATOM 1243 OD1 ASN A 84 15.798 11.637 10.566 1.00 64.11 O ATOM 1244 ND2 ASN A 84 14.276 13.142 9.959 1.00 2.35 N ATOM 0 H ASN A 84 13.498 9.983 6.597 1.00 21.02 H new ATOM 0 HA ASN A 84 13.972 9.400 9.401 1.00 35.20 H new ATOM 0 HB2 ASN A 84 15.567 10.772 8.140 1.00 44.21 H new ATOM 0 HB3 ASN A 84 14.307 11.916 7.721 1.00 44.21 H new ATOM 0 HD21 ASN A 84 14.464 13.715 10.782 1.00 2.35 H new ATOM 0 HD22 ASN A 84 13.572 13.436 9.282 1.00 2.35 H new ATOM 1251 N ASP A 85 11.516 11.313 8.375 1.00 14.30 N ATOM 1252 CA ASP A 85 10.230 11.904 8.765 1.00 53.51 C ATOM 1253 C ASP A 85 9.109 11.153 8.111 1.00 62.23 C ATOM 1254 O ASP A 85 7.963 11.612 8.035 1.00 72.20 O ATOM 1255 CB ASP A 85 10.158 13.386 8.403 1.00 65.11 C ATOM 1256 CG ASP A 85 11.146 14.225 9.167 1.00 4.21 C ATOM 1257 OD1 ASP A 85 10.840 14.636 10.302 1.00 75.35 O ATOM 1258 OD2 ASP A 85 12.247 14.494 8.647 1.00 41.24 O ATOM 0 H ASP A 85 11.736 11.406 7.383 1.00 14.30 H new ATOM 0 HA ASP A 85 10.136 11.827 9.848 1.00 53.51 H new ATOM 0 HB2 ASP A 85 10.340 13.503 7.335 1.00 65.11 H new ATOM 0 HB3 ASP A 85 9.150 13.754 8.597 1.00 65.11 H new ATOM 1263 N TYR A 86 9.435 9.988 7.657 1.00 2.23 N ATOM 1264 CA TYR A 86 8.487 9.123 7.045 1.00 23.35 C ATOM 1265 C TYR A 86 8.371 7.906 7.902 1.00 11.21 C ATOM 1266 O TYR A 86 9.296 7.587 8.661 1.00 64.34 O ATOM 1267 CB TYR A 86 8.930 8.721 5.629 1.00 34.43 C ATOM 1268 CG TYR A 86 9.090 9.884 4.682 1.00 62.31 C ATOM 1269 CD1 TYR A 86 10.296 10.557 4.575 1.00 53.21 C ATOM 1270 CD2 TYR A 86 8.034 10.311 3.900 1.00 3.42 C ATOM 1271 CE1 TYR A 86 10.447 11.626 3.720 1.00 33.13 C ATOM 1272 CE2 TYR A 86 8.177 11.377 3.041 1.00 13.11 C ATOM 1273 CZ TYR A 86 9.387 12.033 2.956 1.00 45.23 C ATOM 1274 OH TYR A 86 9.531 13.103 2.104 1.00 60.32 O ATOM 0 H TYR A 86 10.380 9.607 7.702 1.00 2.23 H new ATOM 0 HA TYR A 86 7.529 9.634 6.954 1.00 23.35 H new ATOM 0 HB2 TYR A 86 9.877 8.186 5.694 1.00 34.43 H new ATOM 0 HB3 TYR A 86 8.199 8.026 5.215 1.00 34.43 H new ATOM 0 HD1 TYR A 86 11.135 10.237 5.175 1.00 53.21 H new ATOM 0 HD2 TYR A 86 7.084 9.802 3.964 1.00 3.42 H new ATOM 0 HE1 TYR A 86 11.395 12.139 3.653 1.00 33.13 H new ATOM 0 HE2 TYR A 86 7.343 11.699 2.435 1.00 13.11 H new ATOM 0 HH TYR A 86 8.796 13.735 2.246 1.00 60.32 H new ATOM 1284 N GLU A 87 7.283 7.232 7.807 1.00 20.33 N ATOM 1285 CA GLU A 87 7.097 6.045 8.556 1.00 51.35 C ATOM 1286 C GLU A 87 6.722 4.924 7.610 1.00 33.03 C ATOM 1287 O GLU A 87 6.030 5.141 6.602 1.00 73.41 O ATOM 1288 CB GLU A 87 6.052 6.232 9.678 1.00 40.02 C ATOM 1289 CG GLU A 87 4.652 6.561 9.195 1.00 43.15 C ATOM 1290 CD GLU A 87 3.639 6.686 10.309 1.00 0.11 C ATOM 1291 OE1 GLU A 87 3.273 5.654 10.914 1.00 52.23 O ATOM 1292 OE2 GLU A 87 3.182 7.804 10.592 1.00 74.11 O ATOM 0 H GLU A 87 6.498 7.488 7.208 1.00 20.33 H new ATOM 0 HA GLU A 87 8.029 5.787 9.059 1.00 51.35 H new ATOM 0 HB2 GLU A 87 6.011 5.319 10.273 1.00 40.02 H new ATOM 0 HB3 GLU A 87 6.389 7.029 10.340 1.00 40.02 H new ATOM 0 HG2 GLU A 87 4.681 7.496 8.635 1.00 43.15 H new ATOM 0 HG3 GLU A 87 4.324 5.785 8.503 1.00 43.15 H new ATOM 1299 N ARG A 88 7.223 3.767 7.890 1.00 13.11 N ATOM 1300 CA ARG A 88 6.971 2.612 7.087 1.00 43.22 C ATOM 1301 C ARG A 88 5.701 1.915 7.567 1.00 55.54 C ATOM 1302 O ARG A 88 5.616 1.480 8.706 1.00 31.12 O ATOM 1303 CB ARG A 88 8.246 1.716 7.077 1.00 20.44 C ATOM 1304 CG ARG A 88 8.158 0.367 6.361 1.00 73.34 C ATOM 1305 CD ARG A 88 7.502 -0.695 7.226 1.00 51.41 C ATOM 1306 NE ARG A 88 8.274 -0.951 8.457 1.00 40.14 N ATOM 1307 CZ ARG A 88 8.128 -2.026 9.238 1.00 22.40 C ATOM 1308 NH1 ARG A 88 7.202 -2.941 8.962 1.00 30.40 N ATOM 1309 NH2 ARG A 88 8.912 -2.182 10.301 1.00 23.14 N ATOM 0 H ARG A 88 7.827 3.592 8.693 1.00 13.11 H new ATOM 0 HA ARG A 88 6.777 2.879 6.048 1.00 43.22 H new ATOM 0 HB2 ARG A 88 9.054 2.287 6.620 1.00 20.44 H new ATOM 0 HB3 ARG A 88 8.533 1.529 8.112 1.00 20.44 H new ATOM 0 HG2 ARG A 88 7.591 0.483 5.437 1.00 73.34 H new ATOM 0 HG3 ARG A 88 9.159 0.039 6.081 1.00 73.34 H new ATOM 0 HD2 ARG A 88 6.493 -0.378 7.489 1.00 51.41 H new ATOM 0 HD3 ARG A 88 7.407 -1.620 6.657 1.00 51.41 H new ATOM 0 HE ARG A 88 8.970 -0.257 8.732 1.00 40.14 H new ATOM 0 HH11 ARG A 88 6.597 -2.825 8.149 1.00 30.40 H new ATOM 0 HH12 ARG A 88 7.097 -3.758 9.563 1.00 30.40 H new ATOM 0 HH21 ARG A 88 9.622 -1.483 10.518 1.00 23.14 H new ATOM 0 HH22 ARG A 88 8.803 -3.001 10.899 1.00 23.14 H new ATOM 1323 N VAL A 89 4.715 1.846 6.692 1.00 1.44 N ATOM 1324 CA VAL A 89 3.395 1.267 7.002 1.00 65.20 C ATOM 1325 C VAL A 89 3.007 0.195 6.015 1.00 62.45 C ATOM 1326 O VAL A 89 3.556 0.132 4.917 1.00 4.55 O ATOM 1327 CB VAL A 89 2.273 2.327 7.021 1.00 52.14 C ATOM 1328 CG1 VAL A 89 2.469 3.299 8.165 1.00 0.04 C ATOM 1329 CG2 VAL A 89 2.223 3.071 5.691 1.00 55.25 C ATOM 0 H VAL A 89 4.795 2.189 5.735 1.00 1.44 H new ATOM 0 HA VAL A 89 3.499 0.836 7.998 1.00 65.20 H new ATOM 0 HB VAL A 89 1.322 1.815 7.170 1.00 52.14 H new ATOM 0 HG11 VAL A 89 1.666 4.036 8.158 1.00 0.04 H new ATOM 0 HG12 VAL A 89 2.455 2.756 9.110 1.00 0.04 H new ATOM 0 HG13 VAL A 89 3.428 3.805 8.052 1.00 0.04 H new ATOM 0 HG21 VAL A 89 1.427 3.815 5.720 1.00 55.25 H new ATOM 0 HG22 VAL A 89 3.177 3.567 5.516 1.00 55.25 H new ATOM 0 HG23 VAL A 89 2.029 2.363 4.885 1.00 55.25 H new ATOM 1339 N THR A 90 2.069 -0.638 6.409 1.00 52.14 N ATOM 1340 CA THR A 90 1.569 -1.677 5.556 1.00 42.04 C ATOM 1341 C THR A 90 0.389 -1.141 4.730 1.00 32.14 C ATOM 1342 O THR A 90 -0.549 -0.543 5.270 1.00 63.54 O ATOM 1343 CB THR A 90 1.066 -2.875 6.383 1.00 15.34 C ATOM 1344 OG1 THR A 90 2.080 -3.279 7.317 1.00 4.20 O ATOM 1345 CG2 THR A 90 0.726 -4.049 5.465 1.00 5.13 C ATOM 0 H THR A 90 1.635 -0.609 7.332 1.00 52.14 H new ATOM 0 HA THR A 90 2.383 -1.999 4.907 1.00 42.04 H new ATOM 0 HB THR A 90 0.168 -2.574 6.923 1.00 15.34 H new ATOM 0 HG1 THR A 90 2.790 -3.759 6.842 1.00 4.20 H new ATOM 0 HG21 THR A 90 0.372 -4.888 6.064 1.00 5.13 H new ATOM 0 HG22 THR A 90 -0.053 -3.749 4.764 1.00 5.13 H new ATOM 0 HG23 THR A 90 1.616 -4.348 4.912 1.00 5.13 H new ATOM 1353 N VAL A 91 0.449 -1.349 3.456 1.00 63.11 N ATOM 1354 CA VAL A 91 -0.580 -0.942 2.523 1.00 12.44 C ATOM 1355 C VAL A 91 -0.811 -2.102 1.568 1.00 65.34 C ATOM 1356 O VAL A 91 -0.071 -3.082 1.613 1.00 4.01 O ATOM 1357 CB VAL A 91 -0.156 0.334 1.739 1.00 34.20 C ATOM 1358 CG1 VAL A 91 0.034 1.503 2.697 1.00 14.10 C ATOM 1359 CG2 VAL A 91 1.114 0.074 0.956 1.00 3.24 C ATOM 0 H VAL A 91 1.235 -1.821 3.010 1.00 63.11 H new ATOM 0 HA VAL A 91 -1.496 -0.695 3.060 1.00 12.44 H new ATOM 0 HB VAL A 91 -0.947 0.591 1.034 1.00 34.20 H new ATOM 0 HG11 VAL A 91 0.330 2.389 2.136 1.00 14.10 H new ATOM 0 HG12 VAL A 91 -0.902 1.701 3.220 1.00 14.10 H new ATOM 0 HG13 VAL A 91 0.810 1.257 3.422 1.00 14.10 H new ATOM 0 HG21 VAL A 91 1.398 0.976 0.413 1.00 3.24 H new ATOM 0 HG22 VAL A 91 1.914 -0.203 1.642 1.00 3.24 H new ATOM 0 HG23 VAL A 91 0.945 -0.738 0.248 1.00 3.24 H new ATOM 1369 N GLU A 92 -1.798 -2.033 0.734 1.00 44.31 N ATOM 1370 CA GLU A 92 -2.055 -3.144 -0.150 1.00 22.02 C ATOM 1371 C GLU A 92 -2.034 -2.652 -1.590 1.00 11.14 C ATOM 1372 O GLU A 92 -2.703 -1.671 -1.929 1.00 4.34 O ATOM 1373 CB GLU A 92 -3.399 -3.758 0.175 1.00 31.32 C ATOM 1374 CG GLU A 92 -3.581 -5.153 -0.364 1.00 31.53 C ATOM 1375 CD GLU A 92 -5.002 -5.624 -0.219 1.00 41.31 C ATOM 1376 OE1 GLU A 92 -5.872 -5.189 -0.990 1.00 71.02 O ATOM 1377 OE2 GLU A 92 -5.272 -6.430 0.678 1.00 74.34 O ATOM 0 H GLU A 92 -2.433 -1.240 0.640 1.00 44.31 H new ATOM 0 HA GLU A 92 -1.285 -3.904 -0.019 1.00 22.02 H new ATOM 0 HB2 GLU A 92 -3.526 -3.778 1.257 1.00 31.32 H new ATOM 0 HB3 GLU A 92 -4.186 -3.119 -0.226 1.00 31.32 H new ATOM 0 HG2 GLU A 92 -3.295 -5.177 -1.416 1.00 31.53 H new ATOM 0 HG3 GLU A 92 -2.915 -5.837 0.163 1.00 31.53 H new ATOM 1384 N VAL A 93 -1.292 -3.321 -2.435 1.00 32.01 N ATOM 1385 CA VAL A 93 -1.139 -2.877 -3.800 1.00 3.44 C ATOM 1386 C VAL A 93 -1.472 -3.996 -4.769 1.00 51.34 C ATOM 1387 O VAL A 93 -1.625 -5.155 -4.375 1.00 73.32 O ATOM 1388 CB VAL A 93 0.307 -2.383 -4.106 1.00 12.54 C ATOM 1389 CG1 VAL A 93 0.743 -1.317 -3.140 1.00 32.41 C ATOM 1390 CG2 VAL A 93 1.295 -3.520 -4.116 1.00 2.25 C ATOM 0 H VAL A 93 -0.784 -4.175 -2.204 1.00 32.01 H new ATOM 0 HA VAL A 93 -1.829 -2.043 -3.927 1.00 3.44 H new ATOM 0 HB VAL A 93 0.285 -1.948 -5.105 1.00 12.54 H new ATOM 0 HG11 VAL A 93 1.756 -0.997 -3.384 1.00 32.41 H new ATOM 0 HG12 VAL A 93 0.067 -0.465 -3.209 1.00 32.41 H new ATOM 0 HG13 VAL A 93 0.723 -1.715 -2.125 1.00 32.41 H new ATOM 0 HG21 VAL A 93 2.291 -3.134 -4.333 1.00 2.25 H new ATOM 0 HG22 VAL A 93 1.299 -4.007 -3.141 1.00 2.25 H new ATOM 0 HG23 VAL A 93 1.011 -4.242 -4.881 1.00 2.25 H new ATOM 1400 N VAL A 94 -1.592 -3.649 -6.013 1.00 23.00 N ATOM 1401 CA VAL A 94 -1.873 -4.602 -7.055 1.00 74.44 C ATOM 1402 C VAL A 94 -0.707 -4.719 -8.008 1.00 50.34 C ATOM 1403 O VAL A 94 -0.289 -3.734 -8.599 1.00 53.33 O ATOM 1404 CB VAL A 94 -3.144 -4.213 -7.831 1.00 15.52 C ATOM 1405 CG1 VAL A 94 -3.332 -5.098 -9.061 1.00 14.34 C ATOM 1406 CG2 VAL A 94 -4.343 -4.330 -6.923 1.00 53.13 C ATOM 0 H VAL A 94 -1.498 -2.688 -6.342 1.00 23.00 H new ATOM 0 HA VAL A 94 -2.036 -5.569 -6.580 1.00 74.44 H new ATOM 0 HB VAL A 94 -3.040 -3.183 -8.171 1.00 15.52 H new ATOM 0 HG11 VAL A 94 -4.238 -4.800 -9.589 1.00 14.34 H new ATOM 0 HG12 VAL A 94 -2.473 -4.988 -9.723 1.00 14.34 H new ATOM 0 HG13 VAL A 94 -3.419 -6.139 -8.750 1.00 14.34 H new ATOM 0 HG21 VAL A 94 -5.243 -4.055 -7.472 1.00 53.13 H new ATOM 0 HG22 VAL A 94 -4.433 -5.357 -6.570 1.00 53.13 H new ATOM 0 HG23 VAL A 94 -4.220 -3.663 -6.070 1.00 53.13 H new ATOM 1416 N ARG A 95 -0.198 -5.926 -8.145 1.00 23.03 N ATOM 1417 CA ARG A 95 0.880 -6.234 -9.057 1.00 52.13 C ATOM 1418 C ARG A 95 0.332 -6.155 -10.473 1.00 74.55 C ATOM 1419 O ARG A 95 -0.345 -7.057 -10.931 1.00 20.24 O ATOM 1420 CB ARG A 95 1.420 -7.631 -8.764 1.00 24.32 C ATOM 1421 CG ARG A 95 2.554 -8.105 -9.658 1.00 44.11 C ATOM 1422 CD ARG A 95 2.954 -9.520 -9.281 1.00 14.44 C ATOM 1423 NE ARG A 95 4.052 -10.044 -10.094 1.00 23.44 N ATOM 1424 CZ ARG A 95 4.416 -11.338 -10.135 1.00 31.24 C ATOM 1425 NH1 ARG A 95 3.671 -12.271 -9.535 1.00 63.32 N ATOM 1426 NH2 ARG A 95 5.493 -11.699 -10.816 1.00 2.12 N ATOM 0 H ARG A 95 -0.529 -6.733 -7.616 1.00 23.03 H new ATOM 0 HA ARG A 95 1.700 -5.525 -8.939 1.00 52.13 H new ATOM 0 HB2 ARG A 95 1.763 -7.657 -7.730 1.00 24.32 H new ATOM 0 HB3 ARG A 95 0.598 -8.342 -8.845 1.00 24.32 H new ATOM 0 HG2 ARG A 95 2.243 -8.072 -10.702 1.00 44.11 H new ATOM 0 HG3 ARG A 95 3.410 -7.437 -9.559 1.00 44.11 H new ATOM 0 HD2 ARG A 95 3.246 -9.541 -8.231 1.00 14.44 H new ATOM 0 HD3 ARG A 95 2.089 -10.175 -9.384 1.00 14.44 H new ATOM 0 HE ARG A 95 4.576 -9.384 -10.668 1.00 23.44 H new ATOM 0 HH11 ARG A 95 2.819 -12.004 -9.041 1.00 63.32 H new ATOM 0 HH12 ARG A 95 3.954 -13.250 -9.571 1.00 63.32 H new ATOM 0 HH21 ARG A 95 6.045 -10.996 -11.308 1.00 2.12 H new ATOM 0 HH22 ARG A 95 5.771 -12.680 -10.848 1.00 2.12 H new ATOM 1440 N MET A 96 0.644 -5.063 -11.111 1.00 33.12 N ATOM 1441 CA MET A 96 0.123 -4.624 -12.420 1.00 14.01 C ATOM 1442 C MET A 96 0.118 -5.781 -13.445 1.00 72.34 C ATOM 1443 O MET A 96 -0.940 -6.188 -13.919 1.00 62.34 O ATOM 1444 CB MET A 96 1.032 -3.472 -12.903 1.00 24.25 C ATOM 1445 CG MET A 96 0.508 -2.478 -13.974 1.00 3.41 C ATOM 1446 SD MET A 96 -0.035 -3.181 -15.559 1.00 31.02 S ATOM 1447 CE MET A 96 -1.760 -3.570 -15.227 1.00 12.11 C ATOM 0 H MET A 96 1.312 -4.396 -10.724 1.00 33.12 H new ATOM 0 HA MET A 96 -0.911 -4.293 -12.322 1.00 14.01 H new ATOM 0 HB2 MET A 96 1.312 -2.888 -12.026 1.00 24.25 H new ATOM 0 HB3 MET A 96 1.946 -3.920 -13.293 1.00 24.25 H new ATOM 0 HG2 MET A 96 -0.328 -1.927 -13.544 1.00 3.41 H new ATOM 0 HG3 MET A 96 1.296 -1.753 -14.178 1.00 3.41 H new ATOM 0 HE1 MET A 96 -1.979 -4.579 -15.577 1.00 12.11 H new ATOM 0 HE2 MET A 96 -1.947 -3.509 -14.155 1.00 12.11 H new ATOM 0 HE3 MET A 96 -2.400 -2.858 -15.748 1.00 12.11 H new ATOM 1457 N ASP A 97 1.294 -6.335 -13.721 1.00 70.02 N ATOM 1458 CA ASP A 97 1.460 -7.390 -14.757 1.00 71.13 C ATOM 1459 C ASP A 97 0.543 -8.612 -14.553 1.00 34.14 C ATOM 1460 O ASP A 97 0.081 -9.212 -15.515 1.00 0.42 O ATOM 1461 CB ASP A 97 2.930 -7.831 -14.860 1.00 34.13 C ATOM 1462 CG ASP A 97 3.159 -8.946 -15.884 1.00 71.54 C ATOM 1463 OD1 ASP A 97 3.223 -8.656 -17.101 1.00 2.22 O ATOM 1464 OD2 ASP A 97 3.297 -10.113 -15.482 1.00 24.54 O ATOM 0 H ASP A 97 2.161 -6.080 -13.247 1.00 70.02 H new ATOM 0 HA ASP A 97 1.152 -6.933 -15.697 1.00 71.13 H new ATOM 0 HB2 ASP A 97 3.542 -6.970 -15.128 1.00 34.13 H new ATOM 0 HB3 ASP A 97 3.269 -8.171 -13.881 1.00 34.13 H new ATOM 1469 N ASN A 98 0.248 -8.951 -13.318 1.00 2.33 N ATOM 1470 CA ASN A 98 -0.579 -10.136 -13.057 1.00 12.12 C ATOM 1471 C ASN A 98 -1.955 -9.800 -12.527 1.00 51.04 C ATOM 1472 O ASN A 98 -2.808 -10.680 -12.412 1.00 55.21 O ATOM 1473 CB ASN A 98 0.125 -11.157 -12.147 1.00 41.15 C ATOM 1474 CG ASN A 98 1.277 -11.856 -12.839 1.00 24.00 C ATOM 1475 OD1 ASN A 98 1.086 -12.888 -13.482 1.00 4.15 O ATOM 1476 ND2 ASN A 98 2.467 -11.326 -12.715 1.00 62.22 N ATOM 0 H ASN A 98 0.554 -8.444 -12.487 1.00 2.33 H new ATOM 0 HA ASN A 98 -0.721 -10.602 -14.032 1.00 12.12 H new ATOM 0 HB2 ASN A 98 0.495 -10.650 -11.256 1.00 41.15 H new ATOM 0 HB3 ASN A 98 -0.599 -11.901 -11.813 1.00 41.15 H new ATOM 0 HD21 ASN A 98 3.271 -11.769 -13.159 1.00 62.22 H new ATOM 0 HD22 ASN A 98 2.590 -10.470 -12.175 1.00 62.22 H new ATOM 1483 N SER A 99 -2.161 -8.527 -12.202 1.00 30.12 N ATOM 1484 CA SER A 99 -3.427 -8.011 -11.680 1.00 53.21 C ATOM 1485 C SER A 99 -3.751 -8.660 -10.314 1.00 74.41 C ATOM 1486 O SER A 99 -4.905 -8.707 -9.886 1.00 44.23 O ATOM 1487 CB SER A 99 -4.563 -8.246 -12.715 1.00 34.34 C ATOM 1488 OG SER A 99 -5.781 -7.617 -12.334 1.00 53.12 O ATOM 0 H SER A 99 -1.441 -7.810 -12.295 1.00 30.12 H new ATOM 0 HA SER A 99 -3.340 -6.937 -11.518 1.00 53.21 H new ATOM 0 HB2 SER A 99 -4.249 -7.866 -13.687 1.00 34.34 H new ATOM 0 HB3 SER A 99 -4.730 -9.317 -12.830 1.00 34.34 H new ATOM 0 HG SER A 99 -5.934 -7.753 -11.376 1.00 53.12 H new ATOM 1494 N GLU A 100 -2.722 -9.100 -9.605 1.00 35.15 N ATOM 1495 CA GLU A 100 -2.934 -9.753 -8.343 1.00 72.43 C ATOM 1496 C GLU A 100 -2.711 -8.758 -7.237 1.00 10.14 C ATOM 1497 O GLU A 100 -2.048 -7.745 -7.432 1.00 5.54 O ATOM 1498 CB GLU A 100 -1.995 -10.940 -8.158 1.00 33.30 C ATOM 1499 CG GLU A 100 -0.550 -10.540 -8.023 1.00 10.04 C ATOM 1500 CD GLU A 100 0.382 -11.701 -7.817 1.00 62.12 C ATOM 1501 OE1 GLU A 100 0.449 -12.227 -6.696 1.00 14.24 O ATOM 1502 OE2 GLU A 100 1.084 -12.078 -8.763 1.00 22.53 O ATOM 0 H GLU A 100 -1.746 -9.013 -9.887 1.00 35.15 H new ATOM 0 HA GLU A 100 -3.956 -10.131 -8.318 1.00 72.43 H new ATOM 0 HB2 GLU A 100 -2.295 -11.497 -7.270 1.00 33.30 H new ATOM 0 HB3 GLU A 100 -2.100 -11.614 -9.008 1.00 33.30 H new ATOM 0 HG2 GLU A 100 -0.247 -9.997 -8.918 1.00 10.04 H new ATOM 0 HG3 GLU A 100 -0.450 -9.852 -7.184 1.00 10.04 H new ATOM 1509 N LYS A 101 -3.224 -9.043 -6.100 1.00 72.15 N ATOM 1510 CA LYS A 101 -3.101 -8.136 -4.992 1.00 12.52 C ATOM 1511 C LYS A 101 -2.078 -8.666 -4.015 1.00 21.22 C ATOM 1512 O LYS A 101 -2.034 -9.878 -3.740 1.00 0.00 O ATOM 1513 CB LYS A 101 -4.441 -7.952 -4.286 1.00 41.01 C ATOM 1514 CG LYS A 101 -5.586 -7.584 -5.206 1.00 73.11 C ATOM 1515 CD LYS A 101 -6.864 -7.404 -4.433 1.00 61.42 C ATOM 1516 CE LYS A 101 -8.021 -7.045 -5.344 1.00 74.14 C ATOM 1517 NZ LYS A 101 -9.263 -6.829 -4.582 1.00 30.12 N ATOM 0 H LYS A 101 -3.739 -9.900 -5.898 1.00 72.15 H new ATOM 0 HA LYS A 101 -2.779 -7.167 -5.373 1.00 12.52 H new ATOM 0 HB2 LYS A 101 -4.693 -8.875 -3.764 1.00 41.01 H new ATOM 0 HB3 LYS A 101 -4.335 -7.176 -3.528 1.00 41.01 H new ATOM 0 HG2 LYS A 101 -5.347 -6.664 -5.739 1.00 73.11 H new ATOM 0 HG3 LYS A 101 -5.718 -8.363 -5.957 1.00 73.11 H new ATOM 0 HD2 LYS A 101 -7.096 -8.322 -3.894 1.00 61.42 H new ATOM 0 HD3 LYS A 101 -6.731 -6.621 -3.687 1.00 61.42 H new ATOM 0 HE2 LYS A 101 -7.777 -6.144 -5.906 1.00 74.14 H new ATOM 0 HE3 LYS A 101 -8.173 -7.842 -6.071 1.00 74.14 H new ATOM 0 HZ1 LYS A 101 -10.034 -6.585 -5.236 1.00 30.12 H new ATOM 0 HZ2 LYS A 101 -9.509 -7.698 -4.066 1.00 30.12 H new ATOM 0 HZ3 LYS A 101 -9.124 -6.051 -3.905 1.00 30.12 H new ATOM 1531 N VAL A 102 -1.246 -7.792 -3.522 1.00 52.24 N ATOM 1532 CA VAL A 102 -0.239 -8.136 -2.555 1.00 41.34 C ATOM 1533 C VAL A 102 -0.200 -7.082 -1.457 1.00 11.43 C ATOM 1534 O VAL A 102 -0.359 -5.880 -1.718 1.00 55.25 O ATOM 1535 CB VAL A 102 1.188 -8.303 -3.188 1.00 22.00 C ATOM 1536 CG1 VAL A 102 1.234 -9.483 -4.150 1.00 42.43 C ATOM 1537 CG2 VAL A 102 1.622 -7.036 -3.907 1.00 24.53 C ATOM 0 H VAL A 102 -1.247 -6.806 -3.784 1.00 52.24 H new ATOM 0 HA VAL A 102 -0.514 -9.105 -2.139 1.00 41.34 H new ATOM 0 HB VAL A 102 1.881 -8.496 -2.369 1.00 22.00 H new ATOM 0 HG11 VAL A 102 2.236 -9.571 -4.571 1.00 42.43 H new ATOM 0 HG12 VAL A 102 0.984 -10.399 -3.615 1.00 42.43 H new ATOM 0 HG13 VAL A 102 0.515 -9.325 -4.954 1.00 42.43 H new ATOM 0 HG21 VAL A 102 2.614 -7.182 -4.335 1.00 24.53 H new ATOM 0 HG22 VAL A 102 0.913 -6.808 -4.703 1.00 24.53 H new ATOM 0 HG23 VAL A 102 1.651 -6.208 -3.199 1.00 24.53 H new ATOM 1547 N LYS A 103 -0.025 -7.520 -0.250 1.00 24.22 N ATOM 1548 CA LYS A 103 0.050 -6.621 0.874 1.00 14.31 C ATOM 1549 C LYS A 103 1.526 -6.256 1.066 1.00 42.22 C ATOM 1550 O LYS A 103 2.391 -7.151 1.138 1.00 43.34 O ATOM 1551 CB LYS A 103 -0.502 -7.316 2.105 1.00 70.22 C ATOM 1552 CG LYS A 103 -0.762 -6.396 3.261 1.00 21.53 C ATOM 1553 CD LYS A 103 -2.001 -5.546 3.076 1.00 45.54 C ATOM 1554 CE LYS A 103 -3.262 -6.390 3.221 1.00 71.12 C ATOM 1555 NZ LYS A 103 -4.486 -5.582 3.158 1.00 22.01 N ATOM 0 H LYS A 103 0.070 -8.507 -0.009 1.00 24.22 H new ATOM 0 HA LYS A 103 -0.536 -5.717 0.706 1.00 14.31 H new ATOM 0 HB2 LYS A 103 -1.431 -7.820 1.839 1.00 70.22 H new ATOM 0 HB3 LYS A 103 0.200 -8.088 2.419 1.00 70.22 H new ATOM 0 HG2 LYS A 103 -0.866 -6.986 4.171 1.00 21.53 H new ATOM 0 HG3 LYS A 103 0.101 -5.745 3.401 1.00 21.53 H new ATOM 0 HD2 LYS A 103 -2.009 -4.742 3.812 1.00 45.54 H new ATOM 0 HD3 LYS A 103 -1.983 -5.077 2.092 1.00 45.54 H new ATOM 0 HE2 LYS A 103 -3.285 -7.142 2.432 1.00 71.12 H new ATOM 0 HE3 LYS A 103 -3.231 -6.925 4.170 1.00 71.12 H new ATOM 0 HZ1 LYS A 103 -5.122 -5.854 3.935 1.00 22.01 H new ATOM 0 HZ2 LYS A 103 -4.242 -4.575 3.246 1.00 22.01 H new ATOM 0 HZ3 LYS A 103 -4.963 -5.744 2.248 1.00 22.01 H new ATOM 1569 N VAL A 104 1.823 -4.976 1.128 1.00 12.44 N ATOM 1570 CA VAL A 104 3.205 -4.504 1.114 1.00 22.51 C ATOM 1571 C VAL A 104 3.463 -3.443 2.188 1.00 70.44 C ATOM 1572 O VAL A 104 2.545 -2.969 2.837 1.00 13.04 O ATOM 1573 CB VAL A 104 3.537 -3.861 -0.271 1.00 75.01 C ATOM 1574 CG1 VAL A 104 3.335 -4.841 -1.406 1.00 64.41 C ATOM 1575 CG2 VAL A 104 2.684 -2.639 -0.498 1.00 3.00 C ATOM 0 H VAL A 104 1.126 -4.234 1.189 1.00 12.44 H new ATOM 0 HA VAL A 104 3.834 -5.373 1.309 1.00 22.51 H new ATOM 0 HB VAL A 104 4.589 -3.574 -0.254 1.00 75.01 H new ATOM 0 HG11 VAL A 104 3.576 -4.357 -2.352 1.00 64.41 H new ATOM 0 HG12 VAL A 104 3.987 -5.703 -1.263 1.00 64.41 H new ATOM 0 HG13 VAL A 104 2.296 -5.171 -1.421 1.00 64.41 H new ATOM 0 HG21 VAL A 104 2.926 -2.201 -1.466 1.00 3.00 H new ATOM 0 HG22 VAL A 104 1.631 -2.922 -0.480 1.00 3.00 H new ATOM 0 HG23 VAL A 104 2.877 -1.909 0.288 1.00 3.00 H new ATOM 1585 N GLU A 105 4.719 -3.090 2.347 1.00 2.32 N ATOM 1586 CA GLU A 105 5.134 -2.005 3.225 1.00 3.32 C ATOM 1587 C GLU A 105 5.485 -0.811 2.336 1.00 30.23 C ATOM 1588 O GLU A 105 5.835 -1.005 1.172 1.00 22.24 O ATOM 1589 CB GLU A 105 6.363 -2.403 4.035 1.00 21.33 C ATOM 1590 CG GLU A 105 6.197 -3.636 4.914 1.00 30.21 C ATOM 1591 CD GLU A 105 5.134 -3.506 5.989 1.00 43.31 C ATOM 1592 OE1 GLU A 105 5.369 -2.815 6.997 1.00 74.04 O ATOM 1593 OE2 GLU A 105 4.085 -4.142 5.872 1.00 31.13 O ATOM 0 H GLU A 105 5.493 -3.549 1.868 1.00 2.32 H new ATOM 0 HA GLU A 105 4.332 -1.764 3.923 1.00 3.32 H new ATOM 0 HB2 GLU A 105 7.190 -2.578 3.346 1.00 21.33 H new ATOM 0 HB3 GLU A 105 6.647 -1.562 4.668 1.00 21.33 H new ATOM 0 HG2 GLU A 105 5.952 -4.488 4.280 1.00 30.21 H new ATOM 0 HG3 GLU A 105 7.152 -3.858 5.390 1.00 30.21 H new ATOM 1600 N THR A 106 5.383 0.397 2.847 1.00 40.22 N ATOM 1601 CA THR A 106 5.636 1.575 2.042 1.00 35.14 C ATOM 1602 C THR A 106 6.042 2.772 2.954 1.00 31.13 C ATOM 1603 O THR A 106 6.068 2.630 4.184 1.00 32.31 O ATOM 1604 CB THR A 106 4.375 1.952 1.218 1.00 10.43 C ATOM 1605 OG1 THR A 106 4.699 2.958 0.248 1.00 74.15 O ATOM 1606 CG2 THR A 106 3.285 2.479 2.136 1.00 65.43 C ATOM 0 H THR A 106 5.127 0.590 3.815 1.00 40.22 H new ATOM 0 HA THR A 106 6.453 1.352 1.356 1.00 35.14 H new ATOM 0 HB THR A 106 4.019 1.057 0.708 1.00 10.43 H new ATOM 0 HG1 THR A 106 5.348 2.598 -0.392 1.00 74.15 H new ATOM 0 HG21 THR A 106 2.407 2.740 1.546 1.00 65.43 H new ATOM 0 HG22 THR A 106 3.019 1.712 2.863 1.00 65.43 H new ATOM 0 HG23 THR A 106 3.646 3.364 2.659 1.00 65.43 H new ATOM 1614 N TYR A 107 6.352 3.922 2.346 1.00 22.44 N ATOM 1615 CA TYR A 107 6.703 5.142 3.080 1.00 41.52 C ATOM 1616 C TYR A 107 5.536 6.100 3.070 1.00 22.20 C ATOM 1617 O TYR A 107 5.095 6.544 2.009 1.00 15.01 O ATOM 1618 CB TYR A 107 7.834 5.950 2.408 1.00 74.45 C ATOM 1619 CG TYR A 107 9.277 5.594 2.657 1.00 32.44 C ATOM 1620 CD1 TYR A 107 9.738 5.223 3.913 1.00 13.02 C ATOM 1621 CD2 TYR A 107 10.205 5.747 1.637 1.00 34.44 C ATOM 1622 CE1 TYR A 107 11.086 5.012 4.135 1.00 52.21 C ATOM 1623 CE2 TYR A 107 11.543 5.521 1.845 1.00 4.44 C ATOM 1624 CZ TYR A 107 11.981 5.161 3.091 1.00 63.43 C ATOM 1625 OH TYR A 107 13.325 4.983 3.308 1.00 30.43 O ATOM 0 H TYR A 107 6.367 4.033 1.332 1.00 22.44 H new ATOM 0 HA TYR A 107 6.997 4.799 4.072 1.00 41.52 H new ATOM 0 HB2 TYR A 107 7.671 5.899 1.332 1.00 74.45 H new ATOM 0 HB3 TYR A 107 7.704 6.992 2.701 1.00 74.45 H new ATOM 0 HD1 TYR A 107 9.036 5.098 4.725 1.00 13.02 H new ATOM 0 HD2 TYR A 107 9.867 6.051 0.657 1.00 34.44 H new ATOM 0 HE1 TYR A 107 11.438 4.733 5.117 1.00 52.21 H new ATOM 0 HE2 TYR A 107 12.245 5.626 1.031 1.00 4.44 H new ATOM 0 HH TYR A 107 13.476 4.110 3.727 1.00 30.43 H new ATOM 1635 N VAL A 108 5.058 6.426 4.227 1.00 52.34 N ATOM 1636 CA VAL A 108 4.036 7.423 4.363 1.00 22.22 C ATOM 1637 C VAL A 108 4.619 8.543 5.241 1.00 73.32 C ATOM 1638 O VAL A 108 5.602 8.326 5.953 1.00 24.24 O ATOM 1639 CB VAL A 108 2.719 6.827 4.968 1.00 63.32 C ATOM 1640 CG1 VAL A 108 2.913 6.357 6.375 1.00 2.23 C ATOM 1641 CG2 VAL A 108 1.542 7.785 4.869 1.00 3.45 C ATOM 0 H VAL A 108 5.363 6.011 5.107 1.00 52.34 H new ATOM 0 HA VAL A 108 3.752 7.816 3.387 1.00 22.22 H new ATOM 0 HB VAL A 108 2.474 5.958 4.357 1.00 63.32 H new ATOM 0 HG11 VAL A 108 1.976 5.951 6.756 1.00 2.23 H new ATOM 0 HG12 VAL A 108 3.679 5.582 6.397 1.00 2.23 H new ATOM 0 HG13 VAL A 108 3.226 7.195 6.999 1.00 2.23 H new ATOM 0 HG21 VAL A 108 0.657 7.320 5.303 1.00 3.45 H new ATOM 0 HG22 VAL A 108 1.773 8.702 5.411 1.00 3.45 H new ATOM 0 HG23 VAL A 108 1.351 8.020 3.822 1.00 3.45 H new ATOM 1651 N TRP A 109 4.052 9.704 5.180 1.00 35.22 N ATOM 1652 CA TRP A 109 4.557 10.859 5.897 1.00 44.33 C ATOM 1653 C TRP A 109 4.011 10.821 7.345 1.00 61.11 C ATOM 1654 O TRP A 109 2.860 10.551 7.532 1.00 75.33 O ATOM 1655 CB TRP A 109 4.075 12.085 5.091 1.00 30.01 C ATOM 1656 CG TRP A 109 4.499 13.440 5.538 1.00 34.24 C ATOM 1657 CD1 TRP A 109 3.680 14.465 5.876 1.00 64.12 C ATOM 1658 CD2 TRP A 109 5.833 13.935 5.667 1.00 73.43 C ATOM 1659 NE1 TRP A 109 4.415 15.568 6.203 1.00 64.22 N ATOM 1660 CE2 TRP A 109 5.741 15.269 6.092 1.00 21.22 C ATOM 1661 CE3 TRP A 109 7.089 13.383 5.473 1.00 3.35 C ATOM 1662 CZ2 TRP A 109 6.863 16.058 6.322 1.00 71.52 C ATOM 1663 CZ3 TRP A 109 8.199 14.159 5.697 1.00 51.13 C ATOM 1664 CH2 TRP A 109 8.083 15.485 6.120 1.00 43.22 C ATOM 0 H TRP A 109 3.215 9.893 4.628 1.00 35.22 H new ATOM 0 HA TRP A 109 5.643 10.888 5.984 1.00 44.33 H new ATOM 0 HB2 TRP A 109 4.408 11.956 4.061 1.00 30.01 H new ATOM 0 HB3 TRP A 109 2.985 12.066 5.078 1.00 30.01 H new ATOM 0 HD1 TRP A 109 2.601 14.416 5.885 1.00 64.12 H new ATOM 0 HE1 TRP A 109 4.034 16.471 6.485 1.00 64.22 H new ATOM 0 HE3 TRP A 109 7.193 12.358 5.150 1.00 3.35 H new ATOM 0 HZ2 TRP A 109 6.771 17.084 6.648 1.00 71.52 H new ATOM 0 HZ3 TRP A 109 9.181 13.736 5.543 1.00 51.13 H new ATOM 0 HH2 TRP A 109 8.977 16.067 6.290 1.00 43.22 H new ATOM 1675 N VAL A 110 4.856 11.058 8.368 1.00 42.23 N ATOM 1676 CA VAL A 110 4.386 10.990 9.771 1.00 4.35 C ATOM 1677 C VAL A 110 3.489 12.170 10.143 1.00 10.32 C ATOM 1678 O VAL A 110 2.705 12.106 11.074 1.00 54.44 O ATOM 1679 CB VAL A 110 5.545 10.877 10.786 1.00 11.15 C ATOM 1680 CG1 VAL A 110 6.313 9.601 10.586 1.00 34.03 C ATOM 1681 CG2 VAL A 110 6.469 12.061 10.719 1.00 35.52 C ATOM 0 H VAL A 110 5.843 11.292 8.258 1.00 42.23 H new ATOM 0 HA VAL A 110 3.796 10.075 9.828 1.00 4.35 H new ATOM 0 HB VAL A 110 5.098 10.863 11.780 1.00 11.15 H new ATOM 0 HG11 VAL A 110 7.123 9.546 11.313 1.00 34.03 H new ATOM 0 HG12 VAL A 110 5.646 8.750 10.721 1.00 34.03 H new ATOM 0 HG13 VAL A 110 6.728 9.580 9.578 1.00 34.03 H new ATOM 0 HG21 VAL A 110 7.269 11.940 11.449 1.00 35.52 H new ATOM 0 HG22 VAL A 110 6.898 12.132 9.719 1.00 35.52 H new ATOM 0 HG23 VAL A 110 5.911 12.971 10.940 1.00 35.52 H new ATOM 1691 N ASN A 111 3.612 13.209 9.383 1.00 3.44 N ATOM 1692 CA ASN A 111 2.864 14.454 9.528 1.00 10.11 C ATOM 1693 C ASN A 111 1.587 14.380 8.653 1.00 42.53 C ATOM 1694 O ASN A 111 0.912 15.356 8.415 1.00 54.54 O ATOM 1695 CB ASN A 111 3.809 15.627 9.168 1.00 32.35 C ATOM 1696 CG ASN A 111 3.194 17.018 9.153 1.00 3.52 C ATOM 1697 OD1 ASN A 111 2.730 17.486 8.114 1.00 42.44 O ATOM 1698 ND2 ASN A 111 3.231 17.697 10.269 1.00 24.23 N ATOM 0 H ASN A 111 4.265 13.232 8.600 1.00 3.44 H new ATOM 0 HA ASN A 111 2.523 14.617 10.550 1.00 10.11 H new ATOM 0 HB2 ASN A 111 4.636 15.628 9.878 1.00 32.35 H new ATOM 0 HB3 ASN A 111 4.234 15.432 8.183 1.00 32.35 H new ATOM 0 HD21 ASN A 111 2.867 18.649 10.299 1.00 24.23 H new ATOM 0 HD22 ASN A 111 3.624 17.274 11.110 1.00 24.23 H new ATOM 1705 N LYS A 112 1.272 13.142 8.240 1.00 43.22 N ATOM 1706 CA LYS A 112 0.177 12.754 7.307 1.00 65.23 C ATOM 1707 C LYS A 112 -1.194 13.359 7.584 1.00 22.12 C ATOM 1708 O LYS A 112 -2.074 13.305 6.718 1.00 15.13 O ATOM 1709 CB LYS A 112 0.053 11.248 7.324 1.00 71.44 C ATOM 1710 CG LYS A 112 -0.071 10.723 8.716 1.00 53.02 C ATOM 1711 CD LYS A 112 0.072 9.242 8.784 1.00 13.12 C ATOM 1712 CE LYS A 112 0.095 8.846 10.219 1.00 54.24 C ATOM 1713 NZ LYS A 112 0.365 7.406 10.411 1.00 35.42 N ATOM 0 H LYS A 112 1.800 12.330 8.561 1.00 43.22 H new ATOM 0 HA LYS A 112 0.469 13.156 6.337 1.00 65.23 H new ATOM 0 HB2 LYS A 112 -0.818 10.947 6.742 1.00 71.44 H new ATOM 0 HB3 LYS A 112 0.925 10.805 6.844 1.00 71.44 H new ATOM 0 HG2 LYS A 112 0.689 11.187 9.344 1.00 53.02 H new ATOM 0 HG3 LYS A 112 -1.040 11.010 9.124 1.00 53.02 H new ATOM 0 HD2 LYS A 112 -0.756 8.755 8.268 1.00 13.12 H new ATOM 0 HD3 LYS A 112 0.989 8.925 8.287 1.00 13.12 H new ATOM 0 HE2 LYS A 112 0.857 9.426 10.739 1.00 54.24 H new ATOM 0 HE3 LYS A 112 -0.863 9.096 10.676 1.00 54.24 H new ATOM 0 HZ1 LYS A 112 -0.375 6.991 11.012 1.00 35.42 H new ATOM 0 HZ2 LYS A 112 0.370 6.928 9.488 1.00 35.42 H new ATOM 0 HZ3 LYS A 112 1.291 7.284 10.869 1.00 35.42 H new ATOM 1727 N ASP A 113 -1.401 13.910 8.759 1.00 1.22 N ATOM 1728 CA ASP A 113 -2.678 14.576 9.018 1.00 61.42 C ATOM 1729 C ASP A 113 -2.759 15.897 8.316 1.00 0.45 C ATOM 1730 O ASP A 113 -3.852 16.433 8.086 1.00 12.12 O ATOM 1731 CB ASP A 113 -3.070 14.668 10.487 1.00 3.24 C ATOM 1732 CG ASP A 113 -3.707 13.400 10.993 1.00 11.44 C ATOM 1733 OD1 ASP A 113 -2.987 12.471 11.418 1.00 24.43 O ATOM 1734 OD2 ASP A 113 -4.954 13.315 10.979 1.00 34.53 O ATOM 0 H ASP A 113 -0.735 13.918 9.531 1.00 1.22 H new ATOM 0 HA ASP A 113 -3.435 13.919 8.588 1.00 61.42 H new ATOM 0 HB2 ASP A 113 -2.185 14.889 11.083 1.00 3.24 H new ATOM 0 HB3 ASP A 113 -3.762 15.499 10.624 1.00 3.24 H new ATOM 1739 N ASP A 114 -1.616 16.427 7.964 1.00 44.51 N ATOM 1740 CA ASP A 114 -1.568 17.577 7.120 1.00 51.31 C ATOM 1741 C ASP A 114 -1.329 17.098 5.714 1.00 64.32 C ATOM 1742 O ASP A 114 -0.358 16.375 5.461 1.00 4.44 O ATOM 1743 CB ASP A 114 -0.452 18.560 7.528 1.00 74.05 C ATOM 1744 CG ASP A 114 -0.723 19.275 8.826 1.00 11.23 C ATOM 1745 OD1 ASP A 114 -1.616 20.155 8.842 1.00 32.12 O ATOM 1746 OD2 ASP A 114 -0.054 18.994 9.855 1.00 12.33 O ATOM 0 H ASP A 114 -0.705 16.073 8.255 1.00 44.51 H new ATOM 0 HA ASP A 114 -2.511 18.117 7.207 1.00 51.31 H new ATOM 0 HB2 ASP A 114 0.488 18.015 7.613 1.00 74.05 H new ATOM 0 HB3 ASP A 114 -0.322 19.298 6.736 1.00 74.05 H new ATOM 1751 N PRO A 115 -2.191 17.460 4.767 1.00 45.32 N ATOM 1752 CA PRO A 115 -2.014 17.058 3.403 1.00 1.02 C ATOM 1753 C PRO A 115 -0.984 17.920 2.714 1.00 73.44 C ATOM 1754 O PRO A 115 -1.250 19.084 2.377 1.00 52.41 O ATOM 1755 CB PRO A 115 -3.397 17.245 2.754 1.00 55.40 C ATOM 1756 CG PRO A 115 -4.293 17.769 3.835 1.00 50.21 C ATOM 1757 CD PRO A 115 -3.406 18.258 4.944 1.00 53.41 C ATOM 0 HA PRO A 115 -1.656 16.032 3.325 1.00 1.02 H new ATOM 0 HB2 PRO A 115 -3.345 17.943 1.918 1.00 55.40 H new ATOM 0 HB3 PRO A 115 -3.773 16.302 2.359 1.00 55.40 H new ATOM 0 HG2 PRO A 115 -4.920 18.577 3.458 1.00 50.21 H new ATOM 0 HG3 PRO A 115 -4.963 16.987 4.193 1.00 50.21 H new ATOM 0 HD2 PRO A 115 -3.204 19.326 4.859 1.00 53.41 H new ATOM 0 HD3 PRO A 115 -3.857 18.096 5.923 1.00 53.41 H new ATOM 1765 N ARG A 116 0.206 17.392 2.561 1.00 72.22 N ATOM 1766 CA ARG A 116 1.226 18.119 1.873 1.00 44.13 C ATOM 1767 C ARG A 116 0.997 17.951 0.396 1.00 44.41 C ATOM 1768 O ARG A 116 1.174 16.856 -0.143 1.00 33.23 O ATOM 1769 CB ARG A 116 2.628 17.628 2.274 1.00 52.32 C ATOM 1770 CG ARG A 116 2.939 17.758 3.765 1.00 21.24 C ATOM 1771 CD ARG A 116 2.787 19.194 4.237 1.00 12.31 C ATOM 1772 NE ARG A 116 3.141 19.370 5.649 1.00 62.54 N ATOM 1773 CZ ARG A 116 2.717 20.378 6.427 1.00 33.22 C ATOM 1774 NH1 ARG A 116 1.833 21.267 5.959 1.00 65.25 N ATOM 1775 NH2 ARG A 116 3.163 20.476 7.678 1.00 1.05 N ATOM 0 H ARG A 116 0.483 16.471 2.902 1.00 72.22 H new ATOM 0 HA ARG A 116 1.175 19.174 2.142 1.00 44.13 H new ATOM 0 HB2 ARG A 116 2.731 16.582 1.984 1.00 52.32 H new ATOM 0 HB3 ARG A 116 3.372 18.190 1.710 1.00 52.32 H new ATOM 0 HG2 ARG A 116 2.271 17.113 4.336 1.00 21.24 H new ATOM 0 HG3 ARG A 116 3.955 17.415 3.958 1.00 21.24 H new ATOM 0 HD2 ARG A 116 3.417 19.841 3.626 1.00 12.31 H new ATOM 0 HD3 ARG A 116 1.757 19.515 4.083 1.00 12.31 H new ATOM 0 HE ARG A 116 3.756 18.674 6.072 1.00 62.54 H new ATOM 0 HH11 ARG A 116 1.478 21.180 5.007 1.00 65.25 H new ATOM 0 HH12 ARG A 116 1.514 22.031 6.555 1.00 65.25 H new ATOM 0 HH21 ARG A 116 3.823 19.787 8.040 1.00 1.05 H new ATOM 0 HH22 ARG A 116 2.845 21.240 8.275 1.00 1.05 H new ATOM 1789 N MET A 117 0.622 19.059 -0.244 1.00 64.13 N ATOM 1790 CA MET A 117 0.243 19.117 -1.663 1.00 73.03 C ATOM 1791 C MET A 117 -1.074 18.368 -1.911 1.00 11.11 C ATOM 1792 O MET A 117 -1.400 17.406 -1.221 1.00 40.31 O ATOM 1793 CB MET A 117 1.360 18.612 -2.587 1.00 20.44 C ATOM 1794 CG MET A 117 2.660 19.373 -2.431 1.00 73.42 C ATOM 1795 SD MET A 117 2.461 21.143 -2.701 1.00 10.41 S ATOM 1796 CE MET A 117 4.126 21.714 -2.384 1.00 44.13 C ATOM 0 H MET A 117 0.571 19.966 0.219 1.00 64.13 H new ATOM 0 HA MET A 117 0.086 20.167 -1.911 1.00 73.03 H new ATOM 0 HB2 MET A 117 1.539 17.556 -2.384 1.00 20.44 H new ATOM 0 HB3 MET A 117 1.026 18.686 -3.622 1.00 20.44 H new ATOM 0 HG2 MET A 117 3.058 19.204 -1.430 1.00 73.42 H new ATOM 0 HG3 MET A 117 3.393 18.981 -3.136 1.00 73.42 H new ATOM 0 HE1 MET A 117 4.273 22.687 -2.854 1.00 44.13 H new ATOM 0 HE2 MET A 117 4.282 21.803 -1.309 1.00 44.13 H new ATOM 0 HE3 MET A 117 4.840 21.001 -2.796 1.00 44.13 H new ATOM 1920 N GLU A 125 9.011 11.379 -13.378 1.00 32.45 N ATOM 1921 CA GLU A 125 8.148 10.220 -13.130 1.00 53.01 C ATOM 1922 C GLU A 125 7.380 9.852 -14.392 1.00 14.43 C ATOM 1923 O GLU A 125 7.203 8.666 -14.703 1.00 13.14 O ATOM 1924 CB GLU A 125 7.151 10.572 -12.022 1.00 11.24 C ATOM 1925 CG GLU A 125 6.091 9.514 -11.747 1.00 63.04 C ATOM 1926 CD GLU A 125 5.104 9.959 -10.703 1.00 35.33 C ATOM 1927 OE1 GLU A 125 4.190 10.769 -11.027 1.00 61.45 O ATOM 1928 OE2 GLU A 125 5.236 9.547 -9.543 1.00 44.34 O ATOM 0 HA GLU A 125 8.765 9.373 -12.831 1.00 53.01 H new ATOM 0 HB2 GLU A 125 7.705 10.757 -11.102 1.00 11.24 H new ATOM 0 HB3 GLU A 125 6.652 11.504 -12.286 1.00 11.24 H new ATOM 0 HG2 GLU A 125 5.561 9.284 -12.671 1.00 63.04 H new ATOM 0 HG3 GLU A 125 6.575 8.594 -11.419 1.00 63.04 H new ATOM 1935 N TRP A 126 6.964 10.885 -15.128 1.00 24.12 N ATOM 1936 CA TRP A 126 6.181 10.741 -16.345 1.00 23.32 C ATOM 1937 C TRP A 126 6.835 9.759 -17.316 1.00 42.12 C ATOM 1938 O TRP A 126 6.217 8.762 -17.715 1.00 73.44 O ATOM 1939 CB TRP A 126 5.996 12.117 -17.010 1.00 4.22 C ATOM 1940 CG TRP A 126 5.195 12.099 -18.280 1.00 50.11 C ATOM 1941 CD1 TRP A 126 5.678 12.038 -19.559 1.00 73.15 C ATOM 1942 CD2 TRP A 126 3.771 12.150 -18.392 1.00 23.21 C ATOM 1943 NE1 TRP A 126 4.640 12.041 -20.452 1.00 42.51 N ATOM 1944 CE2 TRP A 126 3.459 12.114 -19.763 1.00 21.31 C ATOM 1945 CE3 TRP A 126 2.730 12.224 -17.465 1.00 32.34 C ATOM 1946 CZ2 TRP A 126 2.152 12.147 -20.228 1.00 32.31 C ATOM 1947 CZ3 TRP A 126 1.431 12.256 -17.930 1.00 4.31 C ATOM 1948 CH2 TRP A 126 1.153 12.218 -19.298 1.00 62.22 C ATOM 0 H TRP A 126 7.167 11.855 -14.888 1.00 24.12 H new ATOM 0 HA TRP A 126 5.204 10.337 -16.079 1.00 23.32 H new ATOM 0 HB2 TRP A 126 5.510 12.786 -16.300 1.00 4.22 H new ATOM 0 HB3 TRP A 126 6.979 12.537 -17.223 1.00 4.22 H new ATOM 0 HD1 TRP A 126 6.724 11.994 -19.825 1.00 73.15 H new ATOM 0 HE1 TRP A 126 4.732 11.996 -21.467 1.00 42.51 H new ATOM 0 HE3 TRP A 126 2.937 12.256 -16.405 1.00 32.34 H new ATOM 0 HZ2 TRP A 126 1.932 12.118 -21.285 1.00 32.31 H new ATOM 0 HZ3 TRP A 126 0.616 12.311 -17.224 1.00 4.31 H new ATOM 0 HH2 TRP A 126 0.125 12.245 -19.629 1.00 62.22 H new ATOM 1959 N ARG A 127 8.073 10.030 -17.692 1.00 35.00 N ATOM 1960 CA ARG A 127 8.748 9.167 -18.628 1.00 33.12 C ATOM 1961 C ARG A 127 9.159 7.846 -17.986 1.00 61.12 C ATOM 1962 O ARG A 127 9.116 6.817 -18.629 1.00 73.34 O ATOM 1963 CB ARG A 127 9.941 9.848 -19.313 1.00 44.13 C ATOM 1964 CG ARG A 127 11.133 10.158 -18.419 1.00 61.23 C ATOM 1965 CD ARG A 127 12.224 10.803 -19.237 1.00 13.51 C ATOM 1966 NE ARG A 127 13.470 10.991 -18.499 1.00 62.22 N ATOM 1967 CZ ARG A 127 14.568 11.537 -19.033 1.00 52.44 C ATOM 1968 NH1 ARG A 127 14.502 12.144 -20.215 1.00 3.53 N ATOM 1969 NH2 ARG A 127 15.715 11.517 -18.367 1.00 35.35 N ATOM 0 H ARG A 127 8.618 10.828 -17.367 1.00 35.00 H new ATOM 0 HA ARG A 127 8.023 8.946 -19.411 1.00 33.12 H new ATOM 0 HB2 ARG A 127 10.280 9.209 -20.129 1.00 44.13 H new ATOM 0 HB3 ARG A 127 9.595 10.780 -19.760 1.00 44.13 H new ATOM 0 HG2 ARG A 127 10.830 10.822 -17.609 1.00 61.23 H new ATOM 0 HG3 ARG A 127 11.503 9.242 -17.958 1.00 61.23 H new ATOM 0 HD2 ARG A 127 12.420 10.188 -20.116 1.00 13.51 H new ATOM 0 HD3 ARG A 127 11.874 11.771 -19.597 1.00 13.51 H new ATOM 0 HE ARG A 127 13.505 10.690 -17.525 1.00 62.22 H new ATOM 0 HH11 ARG A 127 13.614 12.193 -20.714 1.00 3.53 H new ATOM 0 HH12 ARG A 127 15.340 12.560 -20.622 1.00 3.53 H new ATOM 0 HH21 ARG A 127 15.762 11.084 -17.445 1.00 35.35 H new ATOM 0 HH22 ARG A 127 16.550 11.934 -18.777 1.00 35.35 H new ATOM 1983 N VAL A 128 9.517 7.887 -16.703 1.00 74.11 N ATOM 1984 CA VAL A 128 9.992 6.697 -15.982 1.00 35.51 C ATOM 1985 C VAL A 128 8.927 5.601 -15.893 1.00 44.22 C ATOM 1986 O VAL A 128 9.197 4.444 -16.222 1.00 3.41 O ATOM 1987 CB VAL A 128 10.534 7.055 -14.560 1.00 42.45 C ATOM 1988 CG1 VAL A 128 10.872 5.808 -13.756 1.00 60.32 C ATOM 1989 CG2 VAL A 128 11.774 7.926 -14.677 1.00 62.32 C ATOM 0 H VAL A 128 9.488 8.734 -16.135 1.00 74.11 H new ATOM 0 HA VAL A 128 10.820 6.300 -16.570 1.00 35.51 H new ATOM 0 HB VAL A 128 9.746 7.597 -14.038 1.00 42.45 H new ATOM 0 HG11 VAL A 128 11.245 6.098 -12.774 1.00 60.32 H new ATOM 0 HG12 VAL A 128 9.977 5.198 -13.638 1.00 60.32 H new ATOM 0 HG13 VAL A 128 11.636 5.234 -14.279 1.00 60.32 H new ATOM 0 HG21 VAL A 128 12.143 8.169 -13.681 1.00 62.32 H new ATOM 0 HG22 VAL A 128 12.545 7.389 -15.228 1.00 62.32 H new ATOM 0 HG23 VAL A 128 11.524 8.846 -15.206 1.00 62.32 H new ATOM 1999 N VAL A 129 7.710 5.966 -15.511 1.00 30.12 N ATOM 2000 CA VAL A 129 6.644 4.970 -15.372 1.00 72.21 C ATOM 2001 C VAL A 129 6.262 4.421 -16.747 1.00 33.34 C ATOM 2002 O VAL A 129 5.958 3.232 -16.908 1.00 61.01 O ATOM 2003 CB VAL A 129 5.387 5.546 -14.625 1.00 3.13 C ATOM 2004 CG1 VAL A 129 4.725 6.694 -15.388 1.00 20.32 C ATOM 2005 CG2 VAL A 129 4.381 4.447 -14.302 1.00 54.31 C ATOM 0 H VAL A 129 7.435 6.924 -15.294 1.00 30.12 H new ATOM 0 HA VAL A 129 7.026 4.155 -14.757 1.00 72.21 H new ATOM 0 HB VAL A 129 5.748 5.961 -13.684 1.00 3.13 H new ATOM 0 HG11 VAL A 129 3.862 7.054 -14.827 1.00 20.32 H new ATOM 0 HG12 VAL A 129 5.440 7.507 -15.515 1.00 20.32 H new ATOM 0 HG13 VAL A 129 4.400 6.341 -16.367 1.00 20.32 H new ATOM 0 HG21 VAL A 129 3.524 4.879 -13.786 1.00 54.31 H new ATOM 0 HG22 VAL A 129 4.048 3.975 -15.227 1.00 54.31 H new ATOM 0 HG23 VAL A 129 4.851 3.700 -13.663 1.00 54.31 H new ATOM 2015 N HIS A 130 6.343 5.288 -17.733 1.00 61.31 N ATOM 2016 CA HIS A 130 6.037 4.947 -19.106 1.00 15.14 C ATOM 2017 C HIS A 130 7.111 4.014 -19.660 1.00 63.55 C ATOM 2018 O HIS A 130 6.807 3.001 -20.281 1.00 60.41 O ATOM 2019 CB HIS A 130 5.938 6.240 -19.938 1.00 35.43 C ATOM 2020 CG HIS A 130 5.607 6.070 -21.390 1.00 32.55 C ATOM 2021 ND1 HIS A 130 6.562 5.951 -22.375 1.00 62.30 N ATOM 2022 CD2 HIS A 130 4.417 6.031 -22.024 1.00 43.14 C ATOM 2023 CE1 HIS A 130 5.972 5.852 -23.544 1.00 65.44 C ATOM 2024 NE2 HIS A 130 4.674 5.894 -23.360 1.00 64.10 N ATOM 0 H HIS A 130 6.626 6.259 -17.603 1.00 61.31 H new ATOM 0 HA HIS A 130 5.081 4.426 -19.157 1.00 15.14 H new ATOM 0 HB2 HIS A 130 5.180 6.880 -19.487 1.00 35.43 H new ATOM 0 HB3 HIS A 130 6.888 6.769 -19.863 1.00 35.43 H new ATOM 0 HD2 HIS A 130 3.443 6.096 -21.562 1.00 43.14 H new ATOM 0 HE1 HIS A 130 6.471 5.753 -24.496 1.00 65.44 H new ATOM 0 HE2 HIS A 130 3.970 5.834 -24.095 1.00 64.10 H new ATOM 2033 N ALA A 131 8.356 4.356 -19.410 1.00 5.33 N ATOM 2034 CA ALA A 131 9.484 3.580 -19.877 1.00 11.21 C ATOM 2035 C ALA A 131 9.456 2.187 -19.304 1.00 10.33 C ATOM 2036 O ALA A 131 9.471 1.222 -20.048 1.00 52.11 O ATOM 2037 CB ALA A 131 10.792 4.266 -19.528 1.00 15.43 C ATOM 0 H ALA A 131 8.616 5.184 -18.874 1.00 5.33 H new ATOM 0 HA ALA A 131 9.410 3.506 -20.962 1.00 11.21 H new ATOM 0 HB1 ALA A 131 11.626 3.664 -19.889 1.00 15.43 H new ATOM 0 HB2 ALA A 131 10.824 5.249 -19.998 1.00 15.43 H new ATOM 0 HB3 ALA A 131 10.867 4.378 -18.446 1.00 15.43 H new ATOM 2043 N GLU A 132 9.353 2.091 -17.986 1.00 32.25 N ATOM 2044 CA GLU A 132 9.368 0.803 -17.290 1.00 54.41 C ATOM 2045 C GLU A 132 8.325 -0.136 -17.842 1.00 22.15 C ATOM 2046 O GLU A 132 8.618 -1.305 -18.134 1.00 55.23 O ATOM 2047 CB GLU A 132 9.163 0.992 -15.789 1.00 62.11 C ATOM 2048 CG GLU A 132 10.314 1.688 -15.088 1.00 3.52 C ATOM 2049 CD GLU A 132 11.588 0.889 -15.170 1.00 62.41 C ATOM 2050 OE1 GLU A 132 11.751 -0.058 -14.384 1.00 4.41 O ATOM 2051 OE2 GLU A 132 12.439 1.188 -16.016 1.00 72.11 O ATOM 0 H GLU A 132 9.257 2.897 -17.368 1.00 32.25 H new ATOM 0 HA GLU A 132 10.348 0.356 -17.456 1.00 54.41 H new ATOM 0 HB2 GLU A 132 8.252 1.568 -15.628 1.00 62.11 H new ATOM 0 HB3 GLU A 132 9.009 0.016 -15.329 1.00 62.11 H new ATOM 0 HG2 GLU A 132 10.472 2.669 -15.536 1.00 3.52 H new ATOM 0 HG3 GLU A 132 10.056 1.853 -14.042 1.00 3.52 H new ATOM 2058 N LYS A 133 7.137 0.399 -18.028 1.00 23.44 N ATOM 2059 CA LYS A 133 6.006 -0.337 -18.527 1.00 4.15 C ATOM 2060 C LYS A 133 6.258 -0.886 -19.935 1.00 73.11 C ATOM 2061 O LYS A 133 6.125 -2.092 -20.186 1.00 54.34 O ATOM 2062 CB LYS A 133 4.783 0.583 -18.535 1.00 24.10 C ATOM 2063 CG LYS A 133 3.534 -0.061 -19.085 1.00 43.35 C ATOM 2064 CD LYS A 133 3.122 -1.267 -18.266 1.00 15.44 C ATOM 2065 CE LYS A 133 1.952 -1.950 -18.902 1.00 43.53 C ATOM 2066 NZ LYS A 133 1.504 -3.120 -18.134 1.00 22.41 N ATOM 0 H LYS A 133 6.931 1.378 -17.831 1.00 23.44 H new ATOM 0 HA LYS A 133 5.834 -1.192 -17.873 1.00 4.15 H new ATOM 0 HB2 LYS A 133 4.588 0.920 -17.517 1.00 24.10 H new ATOM 0 HB3 LYS A 133 5.012 1.470 -19.125 1.00 24.10 H new ATOM 0 HG2 LYS A 133 2.723 0.667 -19.095 1.00 43.35 H new ATOM 0 HG3 LYS A 133 3.704 -0.363 -20.118 1.00 43.35 H new ATOM 0 HD2 LYS A 133 3.957 -1.962 -18.184 1.00 15.44 H new ATOM 0 HD3 LYS A 133 2.865 -0.957 -17.253 1.00 15.44 H new ATOM 0 HE2 LYS A 133 1.128 -1.243 -18.996 1.00 43.53 H new ATOM 0 HE3 LYS A 133 2.221 -2.262 -19.911 1.00 43.53 H new ATOM 0 HZ1 LYS A 133 0.737 -3.599 -18.647 1.00 22.41 H new ATOM 0 HZ2 LYS A 133 2.300 -3.778 -18.008 1.00 22.41 H new ATOM 0 HZ3 LYS A 133 1.158 -2.812 -17.203 1.00 22.41 H new ATOM 2080 N PHE A 134 6.630 -0.021 -20.842 1.00 53.34 N ATOM 2081 CA PHE A 134 6.804 -0.427 -22.218 1.00 32.40 C ATOM 2082 C PHE A 134 8.066 -1.226 -22.464 1.00 4.51 C ATOM 2083 O PHE A 134 8.067 -2.105 -23.323 1.00 32.23 O ATOM 2084 CB PHE A 134 6.649 0.734 -23.192 1.00 31.35 C ATOM 2085 CG PHE A 134 5.246 1.273 -23.234 1.00 61.42 C ATOM 2086 CD1 PHE A 134 4.305 0.725 -24.092 1.00 1.31 C ATOM 2087 CD2 PHE A 134 4.865 2.308 -22.414 1.00 30.13 C ATOM 2088 CE1 PHE A 134 3.014 1.206 -24.123 1.00 33.24 C ATOM 2089 CE2 PHE A 134 3.583 2.797 -22.433 1.00 71.44 C ATOM 2090 CZ PHE A 134 2.649 2.247 -23.290 1.00 24.31 C ATOM 0 H PHE A 134 6.818 0.964 -20.658 1.00 53.34 H new ATOM 0 HA PHE A 134 5.985 -1.117 -22.419 1.00 32.40 H new ATOM 0 HB2 PHE A 134 7.333 1.534 -22.909 1.00 31.35 H new ATOM 0 HB3 PHE A 134 6.938 0.406 -24.191 1.00 31.35 H new ATOM 0 HD1 PHE A 134 4.587 -0.089 -24.744 1.00 1.31 H new ATOM 0 HD2 PHE A 134 5.589 2.745 -21.742 1.00 30.13 H new ATOM 0 HE1 PHE A 134 2.290 0.771 -24.796 1.00 33.24 H new ATOM 0 HE2 PHE A 134 3.305 3.610 -21.779 1.00 71.44 H new ATOM 0 HZ PHE A 134 1.639 2.629 -23.309 1.00 24.31 H new ATOM 2100 N VAL A 135 9.122 -0.956 -21.707 1.00 2.11 N ATOM 2101 CA VAL A 135 10.369 -1.697 -21.860 1.00 24.23 C ATOM 2102 C VAL A 135 10.183 -3.174 -21.514 1.00 23.23 C ATOM 2103 O VAL A 135 10.615 -4.045 -22.272 1.00 24.44 O ATOM 2104 CB VAL A 135 11.543 -1.085 -21.037 1.00 54.13 C ATOM 2105 CG1 VAL A 135 12.784 -1.965 -21.118 1.00 33.01 C ATOM 2106 CG2 VAL A 135 11.880 0.308 -21.552 1.00 42.21 C ATOM 0 H VAL A 135 9.141 -0.235 -20.986 1.00 2.11 H new ATOM 0 HA VAL A 135 10.643 -1.616 -22.912 1.00 24.23 H new ATOM 0 HB VAL A 135 11.223 -1.022 -19.997 1.00 54.13 H new ATOM 0 HG11 VAL A 135 13.588 -1.515 -20.535 1.00 33.01 H new ATOM 0 HG12 VAL A 135 12.556 -2.953 -20.719 1.00 33.01 H new ATOM 0 HG13 VAL A 135 13.097 -2.057 -22.158 1.00 33.01 H new ATOM 0 HG21 VAL A 135 12.701 0.723 -20.968 1.00 42.21 H new ATOM 0 HG22 VAL A 135 12.174 0.247 -22.600 1.00 42.21 H new ATOM 0 HG23 VAL A 135 11.006 0.952 -21.457 1.00 42.21 H new ATOM 2116 N GLU A 136 9.511 -3.470 -20.398 1.00 40.34 N ATOM 2117 CA GLU A 136 9.301 -4.865 -20.039 1.00 71.11 C ATOM 2118 C GLU A 136 8.367 -5.542 -21.021 1.00 40.12 C ATOM 2119 O GLU A 136 8.572 -6.697 -21.386 1.00 22.42 O ATOM 2120 CB GLU A 136 8.855 -5.053 -18.593 1.00 43.30 C ATOM 2121 CG GLU A 136 7.564 -4.394 -18.233 1.00 62.14 C ATOM 2122 CD GLU A 136 7.196 -4.637 -16.791 1.00 21.15 C ATOM 2123 OE1 GLU A 136 7.763 -3.958 -15.902 1.00 2.21 O ATOM 2124 OE2 GLU A 136 6.355 -5.527 -16.518 1.00 64.33 O ATOM 0 H GLU A 136 9.118 -2.786 -19.751 1.00 40.34 H new ATOM 0 HA GLU A 136 10.271 -5.357 -20.107 1.00 71.11 H new ATOM 0 HB2 GLU A 136 8.767 -6.121 -18.393 1.00 43.30 H new ATOM 0 HB3 GLU A 136 9.636 -4.669 -17.936 1.00 43.30 H new ATOM 0 HG2 GLU A 136 7.640 -3.322 -18.413 1.00 62.14 H new ATOM 0 HG3 GLU A 136 6.771 -4.770 -18.879 1.00 62.14 H new ATOM 2131 N THR A 137 7.373 -4.796 -21.485 1.00 43.11 N ATOM 2132 CA THR A 137 6.451 -5.284 -22.484 1.00 73.13 C ATOM 2133 C THR A 137 7.224 -5.635 -23.767 1.00 45.42 C ATOM 2134 O THR A 137 7.058 -6.719 -24.323 1.00 54.41 O ATOM 2135 CB THR A 137 5.364 -4.227 -22.790 1.00 34.32 C ATOM 2136 OG1 THR A 137 4.656 -3.899 -21.572 1.00 72.41 O ATOM 2137 CG2 THR A 137 4.371 -4.749 -23.827 1.00 30.01 C ATOM 0 H THR A 137 7.189 -3.841 -21.177 1.00 43.11 H new ATOM 0 HA THR A 137 5.958 -6.177 -22.101 1.00 73.13 H new ATOM 0 HB THR A 137 5.850 -3.338 -23.192 1.00 34.32 H new ATOM 0 HG1 THR A 137 5.175 -3.247 -21.057 1.00 72.41 H new ATOM 0 HG21 THR A 137 3.617 -3.987 -24.025 1.00 30.01 H new ATOM 0 HG22 THR A 137 4.900 -4.985 -24.751 1.00 30.01 H new ATOM 0 HG23 THR A 137 3.887 -5.648 -23.447 1.00 30.01 H new ATOM 2145 N PHE A 138 8.096 -4.720 -24.188 1.00 33.22 N ATOM 2146 CA PHE A 138 8.918 -4.891 -25.373 1.00 4.13 C ATOM 2147 C PHE A 138 9.784 -6.126 -25.230 1.00 74.12 C ATOM 2148 O PHE A 138 9.828 -6.966 -26.126 1.00 51.12 O ATOM 2149 CB PHE A 138 9.783 -3.635 -25.582 1.00 24.35 C ATOM 2150 CG PHE A 138 10.693 -3.661 -26.781 1.00 62.22 C ATOM 2151 CD1 PHE A 138 10.187 -3.508 -28.060 1.00 34.24 C ATOM 2152 CD2 PHE A 138 12.058 -3.808 -26.624 1.00 13.31 C ATOM 2153 CE1 PHE A 138 11.028 -3.508 -29.159 1.00 32.33 C ATOM 2154 CE2 PHE A 138 12.903 -3.810 -27.715 1.00 44.10 C ATOM 2155 CZ PHE A 138 12.387 -3.659 -28.984 1.00 3.32 C ATOM 0 H PHE A 138 8.249 -3.833 -23.708 1.00 33.22 H new ATOM 0 HA PHE A 138 8.279 -5.025 -26.246 1.00 4.13 H new ATOM 0 HB2 PHE A 138 9.123 -2.772 -25.669 1.00 24.35 H new ATOM 0 HB3 PHE A 138 10.391 -3.483 -24.690 1.00 24.35 H new ATOM 0 HD1 PHE A 138 9.123 -3.387 -28.202 1.00 34.24 H new ATOM 0 HD2 PHE A 138 12.470 -3.923 -25.632 1.00 13.31 H new ATOM 0 HE1 PHE A 138 10.620 -3.390 -30.152 1.00 32.33 H new ATOM 0 HE2 PHE A 138 13.967 -3.930 -27.575 1.00 44.10 H new ATOM 0 HZ PHE A 138 13.046 -3.659 -29.840 1.00 3.32 H new ATOM 2165 N ARG A 139 10.442 -6.250 -24.085 1.00 64.02 N ATOM 2166 CA ARG A 139 11.301 -7.384 -23.826 1.00 34.53 C ATOM 2167 C ARG A 139 10.536 -8.699 -23.844 1.00 63.21 C ATOM 2168 O ARG A 139 11.012 -9.681 -24.421 1.00 61.41 O ATOM 2169 CB ARG A 139 12.092 -7.224 -22.533 1.00 13.52 C ATOM 2170 CG ARG A 139 13.102 -6.095 -22.575 1.00 62.20 C ATOM 2171 CD ARG A 139 13.892 -6.006 -21.287 1.00 5.12 C ATOM 2172 NE ARG A 139 14.916 -4.956 -21.349 1.00 42.50 N ATOM 2173 CZ ARG A 139 15.914 -4.797 -20.473 1.00 43.21 C ATOM 2174 NH1 ARG A 139 16.026 -5.606 -19.420 1.00 42.20 N ATOM 2175 NH2 ARG A 139 16.801 -3.831 -20.653 1.00 74.10 N ATOM 0 H ARG A 139 10.393 -5.574 -23.323 1.00 64.02 H new ATOM 0 HA ARG A 139 12.020 -7.415 -24.644 1.00 34.53 H new ATOM 0 HB2 ARG A 139 11.397 -7.049 -21.711 1.00 13.52 H new ATOM 0 HB3 ARG A 139 12.612 -8.157 -22.317 1.00 13.52 H new ATOM 0 HG2 ARG A 139 13.784 -6.247 -23.411 1.00 62.20 H new ATOM 0 HG3 ARG A 139 12.586 -5.151 -22.752 1.00 62.20 H new ATOM 0 HD2 ARG A 139 13.214 -5.804 -20.458 1.00 5.12 H new ATOM 0 HD3 ARG A 139 14.367 -6.966 -21.084 1.00 5.12 H new ATOM 0 HE ARG A 139 14.862 -4.294 -22.123 1.00 42.50 H new ATOM 0 HH11 ARG A 139 15.347 -6.354 -19.277 1.00 42.20 H new ATOM 0 HH12 ARG A 139 16.790 -5.477 -18.757 1.00 42.20 H new ATOM 0 HH21 ARG A 139 16.722 -3.210 -21.458 1.00 74.10 H new ATOM 0 HH22 ARG A 139 17.563 -3.708 -19.986 1.00 74.10 H new ATOM 2189 N LYS A 140 9.352 -8.721 -23.232 1.00 33.02 N ATOM 2190 CA LYS A 140 8.526 -9.930 -23.230 1.00 64.21 C ATOM 2191 C LYS A 140 8.069 -10.268 -24.645 1.00 75.25 C ATOM 2192 O LYS A 140 8.094 -11.429 -25.052 1.00 30.55 O ATOM 2193 CB LYS A 140 7.291 -9.797 -22.333 1.00 64.33 C ATOM 2194 CG LYS A 140 7.554 -9.555 -20.847 1.00 52.54 C ATOM 2195 CD LYS A 140 8.363 -10.676 -20.222 1.00 34.42 C ATOM 2196 CE LYS A 140 8.511 -10.495 -18.718 1.00 61.31 C ATOM 2197 NZ LYS A 140 7.216 -10.600 -18.015 1.00 30.40 N ATOM 0 H LYS A 140 8.946 -7.927 -22.737 1.00 33.02 H new ATOM 0 HA LYS A 140 9.152 -10.729 -22.832 1.00 64.21 H new ATOM 0 HB2 LYS A 140 6.681 -8.976 -22.710 1.00 64.33 H new ATOM 0 HB3 LYS A 140 6.698 -10.706 -22.431 1.00 64.33 H new ATOM 0 HG2 LYS A 140 8.085 -8.612 -20.722 1.00 52.54 H new ATOM 0 HG3 LYS A 140 6.604 -9.458 -20.322 1.00 52.54 H new ATOM 0 HD2 LYS A 140 7.880 -11.631 -20.427 1.00 34.42 H new ATOM 0 HD3 LYS A 140 9.350 -10.712 -20.683 1.00 34.42 H new ATOM 0 HE2 LYS A 140 9.196 -11.248 -18.329 1.00 61.31 H new ATOM 0 HE3 LYS A 140 8.956 -9.522 -18.513 1.00 61.31 H new ATOM 0 HZ1 LYS A 140 7.383 -10.726 -16.996 1.00 30.40 H new ATOM 0 HZ2 LYS A 140 6.665 -9.732 -18.171 1.00 30.40 H new ATOM 0 HZ3 LYS A 140 6.687 -11.417 -18.382 1.00 30.40 H new ATOM 2211 N MET A 141 7.666 -9.242 -25.394 1.00 25.51 N ATOM 2212 CA MET A 141 7.207 -9.416 -26.770 1.00 53.12 C ATOM 2213 C MET A 141 8.311 -9.932 -27.668 1.00 2.55 C ATOM 2214 O MET A 141 8.044 -10.669 -28.624 1.00 15.34 O ATOM 2215 CB MET A 141 6.574 -8.138 -27.342 1.00 71.02 C ATOM 2216 CG MET A 141 5.245 -7.665 -26.702 1.00 44.42 C ATOM 2217 SD MET A 141 3.821 -8.814 -26.875 1.00 54.30 S ATOM 2218 CE MET A 141 4.146 -10.100 -25.647 1.00 33.31 C ATOM 0 H MET A 141 7.649 -8.276 -25.067 1.00 25.51 H new ATOM 0 HA MET A 141 6.423 -10.173 -26.741 1.00 53.12 H new ATOM 0 HB2 MET A 141 7.300 -7.330 -27.251 1.00 71.02 H new ATOM 0 HB3 MET A 141 6.401 -8.293 -28.407 1.00 71.02 H new ATOM 0 HG2 MET A 141 5.418 -7.488 -25.640 1.00 44.42 H new ATOM 0 HG3 MET A 141 4.971 -6.707 -27.145 1.00 44.42 H new ATOM 0 HE1 MET A 141 4.404 -11.030 -26.154 1.00 33.31 H new ATOM 0 HE2 MET A 141 4.974 -9.792 -25.008 1.00 33.31 H new ATOM 0 HE3 MET A 141 3.256 -10.254 -25.037 1.00 33.31 H new ATOM 2228 N LEU A 142 9.544 -9.554 -27.368 1.00 33.42 N ATOM 2229 CA LEU A 142 10.690 -10.067 -28.100 1.00 35.32 C ATOM 2230 C LEU A 142 10.864 -11.542 -27.814 1.00 70.03 C ATOM 2231 O LEU A 142 11.048 -12.338 -28.738 1.00 50.54 O ATOM 2232 CB LEU A 142 11.975 -9.321 -27.743 1.00 34.24 C ATOM 2233 CG LEU A 142 12.026 -7.832 -28.068 1.00 33.23 C ATOM 2234 CD1 LEU A 142 13.361 -7.260 -27.650 1.00 24.34 C ATOM 2235 CD2 LEU A 142 11.781 -7.587 -29.553 1.00 34.51 C ATOM 0 H LEU A 142 9.776 -8.895 -26.624 1.00 33.42 H new ATOM 0 HA LEU A 142 10.498 -9.913 -29.162 1.00 35.32 H new ATOM 0 HB2 LEU A 142 12.150 -9.440 -26.674 1.00 34.24 H new ATOM 0 HB3 LEU A 142 12.803 -9.808 -28.257 1.00 34.24 H new ATOM 0 HG LEU A 142 11.234 -7.330 -27.512 1.00 33.23 H new ATOM 0 HD11 LEU A 142 13.391 -6.196 -27.885 1.00 24.34 H new ATOM 0 HD12 LEU A 142 13.496 -7.399 -26.577 1.00 24.34 H new ATOM 0 HD13 LEU A 142 14.160 -7.772 -28.186 1.00 24.34 H new ATOM 0 HD21 LEU A 142 11.823 -6.517 -29.757 1.00 34.51 H new ATOM 0 HD22 LEU A 142 12.546 -8.098 -30.137 1.00 34.51 H new ATOM 0 HD23 LEU A 142 10.798 -7.971 -29.828 1.00 34.51 H new ATOM 2247 N GLU A 143 10.770 -11.911 -26.530 1.00 73.24 N ATOM 2248 CA GLU A 143 10.912 -13.308 -26.119 1.00 44.14 C ATOM 2249 C GLU A 143 9.836 -14.141 -26.776 1.00 61.12 C ATOM 2250 O GLU A 143 10.102 -15.177 -27.333 1.00 44.42 O ATOM 2251 CB GLU A 143 10.788 -13.467 -24.601 1.00 4.22 C ATOM 2252 CG GLU A 143 11.750 -12.635 -23.787 1.00 32.50 C ATOM 2253 CD GLU A 143 11.689 -12.966 -22.320 1.00 45.43 C ATOM 2254 OE1 GLU A 143 10.871 -12.360 -21.599 1.00 31.44 O ATOM 2255 OE2 GLU A 143 12.455 -13.847 -21.865 1.00 53.11 O ATOM 0 H GLU A 143 10.597 -11.262 -25.763 1.00 73.24 H new ATOM 0 HA GLU A 143 11.903 -13.642 -26.426 1.00 44.14 H new ATOM 0 HB2 GLU A 143 9.771 -13.209 -24.307 1.00 4.22 H new ATOM 0 HB3 GLU A 143 10.937 -14.517 -24.348 1.00 4.22 H new ATOM 0 HG2 GLU A 143 12.765 -12.795 -24.152 1.00 32.50 H new ATOM 0 HG3 GLU A 143 11.523 -11.578 -23.929 1.00 32.50 H new ATOM 2262 N TRP A 144 8.628 -13.641 -26.707 1.00 31.04 N ATOM 2263 CA TRP A 144 7.448 -14.285 -27.246 1.00 22.12 C ATOM 2264 C TRP A 144 7.569 -14.504 -28.763 1.00 32.30 C ATOM 2265 O TRP A 144 7.153 -15.539 -29.295 1.00 72.34 O ATOM 2266 CB TRP A 144 6.239 -13.385 -26.931 1.00 52.10 C ATOM 2267 CG TRP A 144 4.917 -13.891 -27.403 1.00 65.05 C ATOM 2268 CD1 TRP A 144 4.068 -14.704 -26.723 1.00 21.42 C ATOM 2269 CD2 TRP A 144 4.279 -13.600 -28.654 1.00 63.22 C ATOM 2270 NE1 TRP A 144 2.948 -14.941 -27.472 1.00 63.14 N ATOM 2271 CE2 TRP A 144 3.053 -14.277 -28.660 1.00 4.32 C ATOM 2272 CE3 TRP A 144 4.631 -12.837 -29.768 1.00 13.04 C ATOM 2273 CZ2 TRP A 144 2.172 -14.215 -29.734 1.00 61.11 C ATOM 2274 CZ3 TRP A 144 3.758 -12.774 -30.831 1.00 22.32 C ATOM 2275 CH2 TRP A 144 2.541 -13.460 -30.809 1.00 31.50 C ATOM 0 H TRP A 144 8.428 -12.746 -26.261 1.00 31.04 H new ATOM 0 HA TRP A 144 7.328 -15.268 -26.791 1.00 22.12 H new ATOM 0 HB2 TRP A 144 6.188 -13.240 -25.852 1.00 52.10 H new ATOM 0 HB3 TRP A 144 6.413 -12.405 -27.376 1.00 52.10 H new ATOM 0 HD1 TRP A 144 4.250 -15.104 -25.737 1.00 21.42 H new ATOM 0 HE1 TRP A 144 2.159 -15.522 -27.188 1.00 63.14 H new ATOM 0 HE3 TRP A 144 5.571 -12.306 -29.796 1.00 13.04 H new ATOM 0 HZ2 TRP A 144 1.231 -14.745 -29.718 1.00 61.11 H new ATOM 0 HZ3 TRP A 144 4.019 -12.184 -31.697 1.00 22.32 H new ATOM 0 HH2 TRP A 144 1.879 -13.391 -31.660 1.00 31.50 H new ATOM 2286 N ASN A 145 8.138 -13.535 -29.442 1.00 31.44 N ATOM 2287 CA ASN A 145 8.234 -13.571 -30.895 1.00 4.20 C ATOM 2288 C ASN A 145 9.435 -14.385 -31.376 1.00 72.05 C ATOM 2289 O ASN A 145 9.308 -15.218 -32.281 1.00 11.41 O ATOM 2290 CB ASN A 145 8.303 -12.146 -31.447 1.00 12.42 C ATOM 2291 CG ASN A 145 8.328 -12.052 -32.971 1.00 10.12 C ATOM 2292 OD1 ASN A 145 8.943 -11.144 -33.525 1.00 45.05 O ATOM 2293 ND2 ASN A 145 7.641 -12.947 -33.652 1.00 42.21 N ATOM 0 H ASN A 145 8.546 -12.704 -29.014 1.00 31.44 H new ATOM 0 HA ASN A 145 7.339 -14.067 -31.272 1.00 4.20 H new ATOM 0 HB2 ASN A 145 7.445 -11.585 -31.076 1.00 12.42 H new ATOM 0 HB3 ASN A 145 9.196 -11.661 -31.052 1.00 12.42 H new ATOM 0 HD21 ASN A 145 7.609 -12.898 -34.670 1.00 42.21 H new ATOM 0 HD22 ASN A 145 7.141 -13.688 -33.161 1.00 42.21 H new ATOM 2300 N LYS A 146 10.573 -14.162 -30.767 1.00 52.23 N ATOM 2301 CA LYS A 146 11.813 -14.787 -31.203 1.00 2.23 C ATOM 2302 C LYS A 146 12.007 -16.180 -30.591 1.00 44.05 C ATOM 2303 O LYS A 146 12.674 -17.042 -31.175 1.00 63.21 O ATOM 2304 CB LYS A 146 12.999 -13.881 -30.841 1.00 13.43 C ATOM 2305 CG LYS A 146 14.360 -14.395 -31.302 1.00 34.33 C ATOM 2306 CD LYS A 146 15.503 -13.500 -30.830 1.00 24.31 C ATOM 2307 CE LYS A 146 15.571 -13.441 -29.306 1.00 50.22 C ATOM 2308 NZ LYS A 146 16.723 -12.649 -28.824 1.00 2.41 N ATOM 0 H LYS A 146 10.674 -13.547 -29.959 1.00 52.23 H new ATOM 0 HA LYS A 146 11.759 -14.916 -32.284 1.00 2.23 H new ATOM 0 HB2 LYS A 146 12.832 -12.896 -31.276 1.00 13.43 H new ATOM 0 HB3 LYS A 146 13.022 -13.752 -29.759 1.00 13.43 H new ATOM 0 HG2 LYS A 146 14.512 -15.406 -30.924 1.00 34.33 H new ATOM 0 HG3 LYS A 146 14.374 -14.456 -32.390 1.00 34.33 H new ATOM 0 HD2 LYS A 146 16.448 -13.875 -31.224 1.00 24.31 H new ATOM 0 HD3 LYS A 146 15.369 -12.495 -31.229 1.00 24.31 H new ATOM 0 HE2 LYS A 146 14.648 -13.007 -28.920 1.00 50.22 H new ATOM 0 HE3 LYS A 146 15.638 -14.454 -28.908 1.00 50.22 H new ATOM 0 HZ1 LYS A 146 16.726 -12.638 -27.784 1.00 2.41 H new ATOM 0 HZ2 LYS A 146 17.606 -13.076 -29.169 1.00 2.41 H new ATOM 0 HZ3 LYS A 146 16.648 -11.675 -29.180 1.00 2.41 H new ATOM 2322 N ASN A 147 11.426 -16.407 -29.453 1.00 12.41 N ATOM 2323 CA ASN A 147 11.628 -17.657 -28.743 1.00 31.10 C ATOM 2324 C ASN A 147 10.301 -18.358 -28.475 1.00 63.03 C ATOM 2325 O ASN A 147 9.395 -17.780 -27.884 1.00 63.04 O ATOM 2326 CB ASN A 147 12.407 -17.381 -27.432 1.00 11.02 C ATOM 2327 CG ASN A 147 12.618 -18.599 -26.540 1.00 42.44 C ATOM 2328 OD1 ASN A 147 12.681 -19.741 -26.998 1.00 2.14 O ATOM 2329 ND2 ASN A 147 12.752 -18.357 -25.265 1.00 24.41 N ATOM 0 H ASN A 147 10.804 -15.748 -28.985 1.00 12.41 H new ATOM 0 HA ASN A 147 12.218 -18.332 -29.363 1.00 31.10 H new ATOM 0 HB2 ASN A 147 13.381 -16.963 -27.687 1.00 11.02 H new ATOM 0 HB3 ASN A 147 11.873 -16.621 -26.863 1.00 11.02 H new ATOM 0 HD21 ASN A 147 12.914 -19.126 -24.614 1.00 24.41 H new ATOM 0 HD22 ASN A 147 12.694 -17.399 -24.919 1.00 24.41 H new ATOM 2336 N PRO A 148 10.157 -19.624 -28.920 1.00 50.41 N ATOM 2337 CA PRO A 148 8.932 -20.412 -28.694 1.00 43.14 C ATOM 2338 C PRO A 148 8.674 -20.640 -27.203 1.00 52.23 C ATOM 2339 O PRO A 148 7.559 -20.934 -26.790 1.00 51.35 O ATOM 2340 CB PRO A 148 9.218 -21.748 -29.399 1.00 44.34 C ATOM 2341 CG PRO A 148 10.699 -21.799 -29.551 1.00 62.23 C ATOM 2342 CD PRO A 148 11.155 -20.380 -29.703 1.00 54.34 C ATOM 0 HA PRO A 148 8.044 -19.906 -29.073 1.00 43.14 H new ATOM 0 HB2 PRO A 148 8.853 -22.590 -28.811 1.00 44.34 H new ATOM 0 HB3 PRO A 148 8.721 -21.797 -30.368 1.00 44.34 H new ATOM 0 HG2 PRO A 148 11.163 -22.266 -28.682 1.00 62.23 H new ATOM 0 HG3 PRO A 148 10.980 -22.393 -30.420 1.00 62.23 H new ATOM 0 HD2 PRO A 148 12.164 -20.237 -29.316 1.00 54.34 H new ATOM 0 HD3 PRO A 148 11.167 -20.070 -30.748 1.00 54.34 H new ATOM 2350 N ASN A 149 9.717 -20.481 -26.400 1.00 63.32 N ATOM 2351 CA ASN A 149 9.604 -20.635 -24.963 1.00 55.12 C ATOM 2352 C ASN A 149 9.348 -19.291 -24.299 1.00 22.22 C ATOM 2353 O ASN A 149 9.288 -19.197 -23.073 1.00 0.10 O ATOM 2354 CB ASN A 149 10.846 -21.314 -24.365 1.00 11.20 C ATOM 2355 CG ASN A 149 11.092 -22.728 -24.895 1.00 54.14 C ATOM 2356 OD1 ASN A 149 12.239 -23.178 -24.987 1.00 32.23 O ATOM 2357 ND2 ASN A 149 10.046 -23.444 -25.228 1.00 63.45 N ATOM 0 H ASN A 149 10.654 -20.244 -26.725 1.00 63.32 H new ATOM 0 HA ASN A 149 8.752 -21.286 -24.767 1.00 55.12 H new ATOM 0 HB2 ASN A 149 11.721 -20.700 -24.576 1.00 11.20 H new ATOM 0 HB3 ASN A 149 10.739 -21.356 -23.281 1.00 11.20 H new ATOM 0 HD21 ASN A 149 10.168 -24.396 -25.572 1.00 63.45 H new ATOM 0 HD22 ASN A 149 9.109 -23.049 -25.143 1.00 63.45 H new ATOM 2364 N GLY A 150 9.193 -18.241 -25.123 1.00 74.22 N ATOM 2365 CA GLY A 150 8.832 -16.933 -24.607 1.00 54.31 C ATOM 2366 C GLY A 150 7.423 -16.984 -24.096 1.00 0.24 C ATOM 2367 O GLY A 150 7.053 -16.304 -23.133 1.00 11.33 O ATOM 0 H GLY A 150 9.313 -18.282 -26.135 1.00 74.22 H new ATOM 0 HA2 GLY A 150 9.513 -16.642 -23.807 1.00 54.31 H new ATOM 0 HA3 GLY A 150 8.922 -16.181 -25.391 1.00 54.31 H new