USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 773 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 LYS NZ :NH3+ -118:sc= -0.0515 (180deg=0.00289) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= -0.0555 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.66 K(o=-1.7,f=-4!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -70:sc= -0.536 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -0.0213 X(o=-0.021,f=-0.22) USER MOD Single : A 31 THR OG1 : rot -49:sc= -2.16 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 130:sc= -0.316 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc=-0.000458 K(o=-0.00046,f=-1.5) USER MOD Single : A 47 GLN : amide:sc= -0.0904 X(o=-0.09,f=0) USER MOD Single : A 49 CYS SG : rot 180:sc= -0.139 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.088 X(o=-0.088,f=-0.34) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 61 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.051) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.000839) USER MOD Single : A 69 ASN : amide:sc= -2.3! C(o=-2.3!,f=-2!) USER MOD Single : A 73 HIS : no HE2:sc= -3.15 K(o=-3.2,f=-4.5) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -146:sc= -0.582 (180deg=-2.67!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -76:sc= 0.633 USER MOD Single : A 96 TYR OH : rot 116:sc= 0.0304 USER MOD Single : A 99 SER OG : rot 180:sc= 0.125 USER MOD ----------------------------------------------------------------- ATOM 62 N GLU A 5 2.513 -9.985 -2.939 1.00 0.00 N ATOM 63 CA GLU A 5 2.741 -9.256 -4.172 1.00 0.00 C ATOM 64 C GLU A 5 1.459 -9.144 -4.983 1.00 0.00 C ATOM 65 O GLU A 5 1.479 -9.136 -6.213 1.00 0.00 O ATOM 66 CB GLU A 5 3.820 -9.958 -4.979 1.00 0.00 C ATOM 67 CG GLU A 5 5.217 -9.586 -4.532 1.00 0.00 C ATOM 68 CD GLU A 5 6.292 -10.103 -5.467 1.00 0.00 C ATOM 69 OE1 GLU A 5 6.007 -11.047 -6.234 1.00 0.00 O ATOM 70 OE2 GLU A 5 7.418 -9.565 -5.432 1.00 0.00 O ATOM 0 HA GLU A 5 3.070 -8.246 -3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.690 -11.037 -4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.701 -9.707 -6.033 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.294 -8.501 -4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.391 -9.983 -3.532 1.00 0.00 H new ATOM 77 N SER A 6 0.346 -9.057 -4.272 1.00 0.00 N ATOM 78 CA SER A 6 -0.965 -8.942 -4.899 1.00 0.00 C ATOM 79 C SER A 6 -2.030 -8.615 -3.858 1.00 0.00 C ATOM 80 O SER A 6 -1.944 -9.055 -2.711 1.00 0.00 O ATOM 81 CB SER A 6 -1.324 -10.241 -5.624 1.00 0.00 C ATOM 82 OG SER A 6 -1.772 -11.228 -4.711 1.00 0.00 O ATOM 0 H SER A 6 0.323 -9.064 -3.252 1.00 0.00 H new ATOM 0 HA SER A 6 -0.927 -8.131 -5.626 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.101 -10.046 -6.363 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.454 -10.611 -6.166 1.00 0.00 H new ATOM 0 HG SER A 6 -1.997 -12.047 -5.199 1.00 0.00 H new ATOM 88 N ILE A 7 -3.033 -7.840 -4.259 1.00 0.00 N ATOM 89 CA ILE A 7 -4.107 -7.458 -3.352 1.00 0.00 C ATOM 90 C ILE A 7 -5.474 -7.738 -3.968 1.00 0.00 C ATOM 91 O ILE A 7 -5.621 -7.772 -5.190 1.00 0.00 O ATOM 92 CB ILE A 7 -4.017 -5.966 -2.979 1.00 0.00 C ATOM 93 CG1 ILE A 7 -2.629 -5.636 -2.423 1.00 0.00 C ATOM 94 CG2 ILE A 7 -5.098 -5.601 -1.971 1.00 0.00 C ATOM 95 CD1 ILE A 7 -1.972 -4.452 -3.099 1.00 0.00 C ATOM 0 H ILE A 7 -3.123 -7.466 -5.204 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.991 -8.059 -2.450 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.176 -5.375 -3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.713 -5.434 -1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.986 -6.509 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.019 -4.543 -1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.079 -5.799 -2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.971 -6.199 -1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.992 -4.276 -2.654 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.856 -4.659 -4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.594 -3.567 -2.968 1.00 0.00 H new ATOM 107 N ARG A 8 -6.470 -7.938 -3.112 1.00 0.00 N ATOM 108 CA ARG A 8 -7.827 -8.214 -3.567 1.00 0.00 C ATOM 109 C ARG A 8 -8.811 -8.159 -2.403 1.00 0.00 C ATOM 110 O ARG A 8 -9.121 -9.181 -1.790 1.00 0.00 O ATOM 111 CB ARG A 8 -7.892 -9.586 -4.242 1.00 0.00 C ATOM 112 CG ARG A 8 -8.813 -9.626 -5.450 1.00 0.00 C ATOM 113 CD ARG A 8 -9.494 -10.978 -5.587 1.00 0.00 C ATOM 114 NE ARG A 8 -10.384 -11.029 -6.745 1.00 0.00 N ATOM 115 CZ ARG A 8 -9.964 -11.202 -7.996 1.00 0.00 C ATOM 116 NH1 ARG A 8 -8.670 -11.344 -8.255 1.00 0.00 N ATOM 117 NH2 ARG A 8 -10.840 -11.234 -8.991 1.00 0.00 N ATOM 0 H ARG A 8 -6.363 -7.914 -2.098 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.105 -7.448 -4.291 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.888 -9.878 -4.551 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.229 -10.324 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.568 -8.845 -5.359 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.240 -9.413 -6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.737 -11.757 -5.677 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.064 -11.190 -4.682 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.386 -10.926 -6.585 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.992 -11.321 -7.493 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.354 -11.476 -9.216 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.836 -11.126 -8.798 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.518 -11.367 -9.950 1.00 0.00 H new ATOM 131 N PHE A 9 -9.300 -6.960 -2.103 1.00 0.00 N ATOM 132 CA PHE A 9 -10.251 -6.774 -1.013 1.00 0.00 C ATOM 133 C PHE A 9 -11.660 -6.565 -1.558 1.00 0.00 C ATOM 134 O PHE A 9 -12.193 -5.457 -1.525 1.00 0.00 O ATOM 135 CB PHE A 9 -9.840 -5.584 -0.141 1.00 0.00 C ATOM 136 CG PHE A 9 -9.534 -4.338 -0.922 1.00 0.00 C ATOM 137 CD1 PHE A 9 -8.276 -4.139 -1.470 1.00 0.00 C ATOM 138 CD2 PHE A 9 -10.502 -3.363 -1.105 1.00 0.00 C ATOM 139 CE1 PHE A 9 -7.990 -2.993 -2.187 1.00 0.00 C ATOM 140 CE2 PHE A 9 -10.222 -2.215 -1.821 1.00 0.00 C ATOM 141 CZ PHE A 9 -8.964 -2.030 -2.363 1.00 0.00 C ATOM 0 H PHE A 9 -9.054 -6.103 -2.599 1.00 0.00 H new ATOM 0 HA PHE A 9 -10.247 -7.675 -0.400 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -10.641 -5.370 0.567 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.963 -5.860 0.444 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.510 -4.889 -1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -11.486 -3.502 -0.683 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -7.006 -2.851 -2.609 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -10.985 -1.463 -1.957 1.00 0.00 H new ATOM 0 HZ PHE A 9 -8.743 -1.134 -2.923 1.00 0.00 H new ATOM 151 N GLY A 10 -12.256 -7.639 -2.064 1.00 0.00 N ATOM 152 CA GLY A 10 -13.595 -7.553 -2.615 1.00 0.00 C ATOM 153 C GLY A 10 -13.584 -7.289 -4.109 1.00 0.00 C ATOM 154 O GLY A 10 -12.783 -7.877 -4.836 1.00 0.00 O ATOM 0 H GLY A 10 -11.836 -8.568 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -14.128 -8.483 -2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -14.143 -6.757 -2.111 1.00 0.00 H new ATOM 158 N PRO A 11 -14.467 -6.405 -4.606 1.00 0.00 N ATOM 159 CA PRO A 11 -14.543 -6.078 -6.028 1.00 0.00 C ATOM 160 C PRO A 11 -13.578 -4.964 -6.429 1.00 0.00 C ATOM 161 O PRO A 11 -13.905 -4.124 -7.268 1.00 0.00 O ATOM 162 CB PRO A 11 -15.986 -5.612 -6.177 1.00 0.00 C ATOM 163 CG PRO A 11 -16.304 -4.960 -4.873 1.00 0.00 C ATOM 164 CD PRO A 11 -15.469 -5.656 -3.823 1.00 0.00 C ATOM 0 HA PRO A 11 -14.270 -6.920 -6.664 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.094 -4.914 -7.007 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.655 -6.449 -6.376 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.074 -3.895 -4.907 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -17.366 -5.050 -4.645 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.997 -4.941 -3.149 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -16.074 -6.322 -3.208 1.00 0.00 H new ATOM 172 N ASN A 12 -12.391 -4.958 -5.828 1.00 0.00 N ATOM 173 CA ASN A 12 -11.389 -3.942 -6.129 1.00 0.00 C ATOM 174 C ASN A 12 -9.978 -4.487 -5.929 1.00 0.00 C ATOM 175 O ASN A 12 -9.376 -4.303 -4.871 1.00 0.00 O ATOM 176 CB ASN A 12 -11.596 -2.712 -5.244 1.00 0.00 C ATOM 177 CG ASN A 12 -12.634 -1.761 -5.807 1.00 0.00 C ATOM 178 OD1 ASN A 12 -13.821 -2.083 -5.868 1.00 0.00 O ATOM 179 ND2 ASN A 12 -12.191 -0.580 -6.223 1.00 0.00 N ATOM 0 H ASN A 12 -12.101 -5.644 -5.131 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.506 -3.657 -7.175 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.903 -3.032 -4.248 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.648 -2.185 -5.131 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -12.843 0.101 -6.611 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -11.199 -0.354 -6.154 1.00 0.00 H new ATOM 186 N VAL A 13 -9.453 -5.151 -6.953 1.00 0.00 N ATOM 187 CA VAL A 13 -8.109 -5.711 -6.887 1.00 0.00 C ATOM 188 C VAL A 13 -7.063 -4.602 -6.905 1.00 0.00 C ATOM 189 O VAL A 13 -7.249 -3.577 -7.559 1.00 0.00 O ATOM 190 CB VAL A 13 -7.840 -6.676 -8.059 1.00 0.00 C ATOM 191 CG1 VAL A 13 -6.566 -7.472 -7.816 1.00 0.00 C ATOM 192 CG2 VAL A 13 -9.025 -7.607 -8.270 1.00 0.00 C ATOM 0 H VAL A 13 -9.936 -5.314 -7.836 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.039 -6.267 -5.952 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.705 -6.085 -8.965 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.393 -8.147 -8.654 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.722 -6.788 -7.721 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.668 -8.051 -6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.815 -8.280 -9.101 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.195 -8.190 -7.365 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.914 -7.019 -8.495 1.00 0.00 H new ATOM 202 N PHE A 14 -5.966 -4.808 -6.185 1.00 0.00 N ATOM 203 CA PHE A 14 -4.900 -3.816 -6.125 1.00 0.00 C ATOM 204 C PHE A 14 -3.559 -4.439 -6.498 1.00 0.00 C ATOM 205 O PHE A 14 -3.133 -5.425 -5.897 1.00 0.00 O ATOM 206 CB PHE A 14 -4.824 -3.200 -4.725 1.00 0.00 C ATOM 207 CG PHE A 14 -5.135 -1.731 -4.695 1.00 0.00 C ATOM 208 CD1 PHE A 14 -6.435 -1.288 -4.516 1.00 0.00 C ATOM 209 CD2 PHE A 14 -4.125 -0.793 -4.842 1.00 0.00 C ATOM 210 CE1 PHE A 14 -6.724 0.063 -4.485 1.00 0.00 C ATOM 211 CE2 PHE A 14 -4.408 0.559 -4.812 1.00 0.00 C ATOM 212 CZ PHE A 14 -5.709 0.988 -4.633 1.00 0.00 C ATOM 0 H PHE A 14 -5.792 -5.650 -5.637 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.126 -3.029 -6.845 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.520 -3.723 -4.069 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.824 -3.359 -4.321 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.232 -2.007 -4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.106 -1.123 -4.981 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.742 0.395 -4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.613 1.280 -4.928 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.932 2.044 -4.609 1.00 0.00 H new ATOM 222 N TYR A 15 -2.900 -3.858 -7.494 1.00 0.00 N ATOM 223 CA TYR A 15 -1.608 -4.356 -7.947 1.00 0.00 C ATOM 224 C TYR A 15 -0.470 -3.542 -7.341 1.00 0.00 C ATOM 225 O TYR A 15 -0.477 -2.312 -7.392 1.00 0.00 O ATOM 226 CB TYR A 15 -1.528 -4.313 -9.473 1.00 0.00 C ATOM 227 CG TYR A 15 -2.349 -5.385 -10.154 1.00 0.00 C ATOM 228 CD1 TYR A 15 -2.073 -6.731 -9.953 1.00 0.00 C ATOM 229 CD2 TYR A 15 -3.401 -5.049 -10.998 1.00 0.00 C ATOM 230 CE1 TYR A 15 -2.821 -7.713 -10.574 1.00 0.00 C ATOM 231 CE2 TYR A 15 -4.154 -6.026 -11.622 1.00 0.00 C ATOM 232 CZ TYR A 15 -3.860 -7.356 -11.407 1.00 0.00 C ATOM 233 OH TYR A 15 -4.608 -8.330 -12.027 1.00 0.00 O ATOM 0 H TYR A 15 -3.240 -3.042 -8.003 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.507 -5.389 -7.616 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.864 -3.335 -9.818 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.486 -4.417 -9.777 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.260 -7.015 -9.301 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.634 -4.008 -11.169 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.593 -8.755 -10.408 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.969 -5.749 -12.275 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.301 -7.909 -12.578 1.00 0.00 H new ATOM 243 N VAL A 16 0.505 -4.237 -6.766 1.00 0.00 N ATOM 244 CA VAL A 16 1.651 -3.581 -6.147 1.00 0.00 C ATOM 245 C VAL A 16 2.735 -3.258 -7.173 1.00 0.00 C ATOM 246 O VAL A 16 3.651 -2.483 -6.895 1.00 0.00 O ATOM 247 CB VAL A 16 2.262 -4.450 -5.031 1.00 0.00 C ATOM 248 CG1 VAL A 16 1.388 -4.415 -3.787 1.00 0.00 C ATOM 249 CG2 VAL A 16 2.460 -5.880 -5.512 1.00 0.00 C ATOM 0 H VAL A 16 0.525 -5.256 -6.716 1.00 0.00 H new ATOM 0 HA VAL A 16 1.280 -2.651 -5.716 1.00 0.00 H new ATOM 0 HB VAL A 16 3.239 -4.040 -4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.836 -5.035 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.305 -3.389 -3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.396 -4.797 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.892 -6.477 -4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.498 -6.303 -5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.132 -5.885 -6.370 1.00 0.00 H new ATOM 259 N LEU A 17 2.632 -3.856 -8.357 1.00 0.00 N ATOM 260 CA LEU A 17 3.612 -3.628 -9.414 1.00 0.00 C ATOM 261 C LEU A 17 2.987 -2.921 -10.617 1.00 0.00 C ATOM 262 O LEU A 17 3.699 -2.414 -11.483 1.00 0.00 O ATOM 263 CB LEU A 17 4.230 -4.956 -9.856 1.00 0.00 C ATOM 264 CG LEU A 17 5.036 -5.685 -8.781 1.00 0.00 C ATOM 265 CD1 LEU A 17 5.035 -7.184 -9.038 1.00 0.00 C ATOM 266 CD2 LEU A 17 6.460 -5.152 -8.730 1.00 0.00 C ATOM 0 H LEU A 17 1.882 -4.500 -8.608 1.00 0.00 H new ATOM 0 HA LEU A 17 4.391 -2.981 -9.009 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.432 -5.614 -10.199 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.879 -4.770 -10.712 1.00 0.00 H new ATOM 0 HG LEU A 17 4.566 -5.503 -7.815 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.614 -7.686 -8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.010 -7.555 -9.024 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.481 -7.386 -10.012 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.020 -5.682 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.940 -5.304 -9.697 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.442 -4.087 -8.498 1.00 0.00 H new ATOM 278 N LYS A 18 1.658 -2.894 -10.673 1.00 0.00 N ATOM 279 CA LYS A 18 0.957 -2.252 -11.780 1.00 0.00 C ATOM 280 C LYS A 18 0.398 -0.892 -11.369 1.00 0.00 C ATOM 281 O LYS A 18 0.285 0.015 -12.193 1.00 0.00 O ATOM 282 CB LYS A 18 -0.173 -3.150 -12.286 1.00 0.00 C ATOM 283 CG LYS A 18 0.239 -4.601 -12.472 1.00 0.00 C ATOM 284 CD LYS A 18 -0.514 -5.253 -13.621 1.00 0.00 C ATOM 285 CE LYS A 18 0.299 -6.367 -14.260 1.00 0.00 C ATOM 286 NZ LYS A 18 -0.170 -7.714 -13.833 1.00 0.00 N ATOM 0 H LYS A 18 1.048 -3.307 -9.968 1.00 0.00 H new ATOM 0 HA LYS A 18 1.677 -2.095 -12.583 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.004 -3.105 -11.583 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.538 -2.760 -13.236 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.311 -4.654 -12.662 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.051 -5.154 -11.552 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.459 -5.655 -13.256 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.756 -4.501 -14.372 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.233 -6.287 -15.345 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.349 -6.248 -13.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.411 -8.445 -14.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.084 -7.800 -12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.165 -7.839 -14.109 1.00 0.00 H new ATOM 300 N LEU A 19 0.046 -0.754 -10.093 1.00 0.00 N ATOM 301 CA LEU A 19 -0.502 0.498 -9.584 1.00 0.00 C ATOM 302 C LEU A 19 -1.856 0.797 -10.221 1.00 0.00 C ATOM 303 O LEU A 19 -2.246 1.957 -10.358 1.00 0.00 O ATOM 304 CB LEU A 19 0.469 1.652 -9.851 1.00 0.00 C ATOM 305 CG LEU A 19 0.960 2.388 -8.603 1.00 0.00 C ATOM 306 CD1 LEU A 19 2.309 1.843 -8.159 1.00 0.00 C ATOM 307 CD2 LEU A 19 1.045 3.884 -8.867 1.00 0.00 C ATOM 0 H LEU A 19 0.131 -1.493 -9.395 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.642 0.394 -8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.334 1.262 -10.388 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.018 2.371 -10.510 1.00 0.00 H new ATOM 0 HG LEU A 19 0.243 2.222 -7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.643 2.378 -7.270 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.215 0.782 -7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.037 1.978 -8.959 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.396 4.393 -7.969 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.741 4.070 -9.685 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.059 4.263 -9.136 1.00 0.00 H new ATOM 319 N THR A 20 -2.568 -0.256 -10.610 1.00 0.00 N ATOM 320 CA THR A 20 -3.878 -0.105 -11.232 1.00 0.00 C ATOM 321 C THR A 20 -4.913 -0.983 -10.536 1.00 0.00 C ATOM 322 O THR A 20 -4.752 -2.200 -10.453 1.00 0.00 O ATOM 323 CB THR A 20 -3.806 -0.463 -12.717 1.00 0.00 C ATOM 324 OG1 THR A 20 -2.812 0.306 -13.371 1.00 0.00 O ATOM 325 CG2 THR A 20 -5.112 -0.246 -13.449 1.00 0.00 C ATOM 0 H THR A 20 -2.260 -1.223 -10.505 1.00 0.00 H new ATOM 0 HA THR A 20 -4.183 0.937 -11.131 1.00 0.00 H new ATOM 0 HB THR A 20 -3.565 -1.526 -12.747 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.780 0.061 -14.319 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.991 -0.519 -14.497 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.888 -0.865 -13.000 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.399 0.803 -13.378 1.00 0.00 H new ATOM 333 N VAL A 21 -5.973 -0.357 -10.037 1.00 0.00 N ATOM 334 CA VAL A 21 -7.032 -1.085 -9.349 1.00 0.00 C ATOM 335 C VAL A 21 -8.105 -1.549 -10.327 1.00 0.00 C ATOM 336 O VAL A 21 -8.684 -0.745 -11.056 1.00 0.00 O ATOM 337 CB VAL A 21 -7.690 -0.225 -8.252 1.00 0.00 C ATOM 338 CG1 VAL A 21 -8.554 -1.086 -7.344 1.00 0.00 C ATOM 339 CG2 VAL A 21 -6.635 0.517 -7.446 1.00 0.00 C ATOM 0 H VAL A 21 -6.121 0.650 -10.096 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.565 -1.954 -8.885 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.331 0.513 -8.734 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.010 -0.461 -6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.336 -1.565 -7.933 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.936 -1.850 -6.871 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.121 1.118 -6.677 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.965 -0.202 -6.975 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.063 1.167 -8.107 1.00 0.00 H new ATOM 349 N GLU A 22 -8.366 -2.853 -10.336 1.00 0.00 N ATOM 350 CA GLU A 22 -9.370 -3.425 -11.225 1.00 0.00 C ATOM 351 C GLU A 22 -10.773 -3.216 -10.666 1.00 0.00 C ATOM 352 O GLU A 22 -11.164 -3.852 -9.687 1.00 0.00 O ATOM 353 CB GLU A 22 -9.107 -4.918 -11.432 1.00 0.00 C ATOM 354 CG GLU A 22 -8.256 -5.223 -12.655 1.00 0.00 C ATOM 355 CD GLU A 22 -8.185 -6.706 -12.960 1.00 0.00 C ATOM 356 OE1 GLU A 22 -8.225 -7.511 -12.006 1.00 0.00 O ATOM 357 OE2 GLU A 22 -8.090 -7.063 -14.153 1.00 0.00 O ATOM 0 H GLU A 22 -7.896 -3.532 -9.738 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.302 -2.915 -12.186 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.612 -5.317 -10.547 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.061 -5.437 -11.525 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.665 -4.697 -13.518 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.248 -4.840 -12.497 1.00 0.00 H new ATOM 364 N THR A 23 -11.527 -2.320 -11.295 1.00 0.00 N ATOM 365 CA THR A 23 -12.888 -2.027 -10.862 1.00 0.00 C ATOM 366 C THR A 23 -13.904 -2.554 -11.874 1.00 0.00 C ATOM 367 O THR A 23 -13.651 -2.547 -13.079 1.00 0.00 O ATOM 368 CB THR A 23 -13.073 -0.518 -10.671 1.00 0.00 C ATOM 369 OG1 THR A 23 -11.822 0.147 -10.686 1.00 0.00 O ATOM 370 CG2 THR A 23 -13.765 -0.159 -9.374 1.00 0.00 C ATOM 0 H THR A 23 -11.218 -1.784 -12.106 1.00 0.00 H new ATOM 0 HA THR A 23 -13.057 -2.528 -9.909 1.00 0.00 H new ATOM 0 HB THR A 23 -13.702 -0.198 -11.502 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.323 -0.076 -9.872 1.00 0.00 H new ATOM 0 HG21 THR A 23 -13.864 0.924 -9.302 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.754 -0.616 -9.351 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.176 -0.526 -8.534 1.00 0.00 H new ATOM 378 N PRO A 24 -15.072 -3.020 -11.397 1.00 0.00 N ATOM 379 CA PRO A 24 -16.124 -3.551 -12.268 1.00 0.00 C ATOM 380 C PRO A 24 -16.763 -2.468 -13.132 1.00 0.00 C ATOM 381 O PRO A 24 -17.319 -2.756 -14.193 1.00 0.00 O ATOM 382 CB PRO A 24 -17.143 -4.125 -11.282 1.00 0.00 C ATOM 383 CG PRO A 24 -16.929 -3.363 -10.025 1.00 0.00 C ATOM 384 CD PRO A 24 -15.460 -3.065 -9.976 1.00 0.00 C ATOM 0 HA PRO A 24 -15.738 -4.284 -12.976 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.162 -4.002 -11.650 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.986 -5.193 -11.128 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.515 -2.444 -10.020 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -17.240 -3.944 -9.157 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -15.259 -2.118 -9.475 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.912 -3.836 -9.434 1.00 0.00 H new ATOM 392 N GLU A 25 -16.679 -1.223 -12.675 1.00 0.00 N ATOM 393 CA GLU A 25 -17.247 -0.098 -13.410 1.00 0.00 C ATOM 394 C GLU A 25 -16.146 0.829 -13.919 1.00 0.00 C ATOM 395 O GLU A 25 -16.349 2.036 -14.051 1.00 0.00 O ATOM 396 CB GLU A 25 -18.219 0.681 -12.519 1.00 0.00 C ATOM 397 CG GLU A 25 -19.569 0.935 -13.169 1.00 0.00 C ATOM 398 CD GLU A 25 -20.479 1.788 -12.307 1.00 0.00 C ATOM 399 OE1 GLU A 25 -20.397 1.675 -11.066 1.00 0.00 O ATOM 400 OE2 GLU A 25 -21.273 2.569 -12.873 1.00 0.00 O ATOM 0 H GLU A 25 -16.223 -0.967 -11.799 1.00 0.00 H new ATOM 0 HA GLU A 25 -17.790 -0.492 -14.269 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -18.370 0.129 -11.591 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -17.768 1.637 -12.252 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -19.419 1.427 -14.130 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -20.056 -0.019 -13.372 1.00 0.00 H new ATOM 407 N GLY A 26 -14.981 0.255 -14.203 1.00 0.00 N ATOM 408 CA GLY A 26 -13.865 1.043 -14.693 1.00 0.00 C ATOM 409 C GLY A 26 -12.575 0.744 -13.955 1.00 0.00 C ATOM 410 O GLY A 26 -12.432 -0.316 -13.345 1.00 0.00 O ATOM 0 H GLY A 26 -14.790 -0.742 -14.102 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.725 0.847 -15.756 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.100 2.102 -14.592 1.00 0.00 H new ATOM 414 N SER A 27 -11.633 1.681 -14.009 1.00 0.00 N ATOM 415 CA SER A 27 -10.347 1.513 -13.340 1.00 0.00 C ATOM 416 C SER A 27 -10.040 2.709 -12.445 1.00 0.00 C ATOM 417 O SER A 27 -10.652 3.769 -12.576 1.00 0.00 O ATOM 418 CB SER A 27 -9.232 1.333 -14.371 1.00 0.00 C ATOM 419 OG SER A 27 -9.425 2.185 -15.487 1.00 0.00 O ATOM 0 H SER A 27 -11.736 2.564 -14.509 1.00 0.00 H new ATOM 0 HA SER A 27 -10.403 0.620 -12.717 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.268 1.546 -13.909 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.204 0.295 -14.703 1.00 0.00 H new ATOM 0 HG SER A 27 -8.698 2.051 -16.130 1.00 0.00 H new ATOM 425 N VAL A 28 -9.087 2.532 -11.535 1.00 0.00 N ATOM 426 CA VAL A 28 -8.699 3.598 -10.619 1.00 0.00 C ATOM 427 C VAL A 28 -7.182 3.729 -10.538 1.00 0.00 C ATOM 428 O VAL A 28 -6.502 2.866 -9.983 1.00 0.00 O ATOM 429 CB VAL A 28 -9.256 3.353 -9.204 1.00 0.00 C ATOM 430 CG1 VAL A 28 -9.013 4.563 -8.315 1.00 0.00 C ATOM 431 CG2 VAL A 28 -10.739 3.016 -9.265 1.00 0.00 C ATOM 0 H VAL A 28 -8.570 1.661 -11.413 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.121 4.522 -11.014 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.731 2.502 -8.770 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.414 4.370 -7.320 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.942 4.753 -8.244 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.509 5.434 -8.743 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -11.115 2.846 -8.256 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.282 3.844 -9.720 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.883 2.116 -9.862 1.00 0.00 H new ATOM 441 N HIS A 29 -6.657 4.817 -11.093 1.00 0.00 N ATOM 442 CA HIS A 29 -5.219 5.063 -11.081 1.00 0.00 C ATOM 443 C HIS A 29 -4.812 5.824 -9.824 1.00 0.00 C ATOM 444 O HIS A 29 -5.662 6.324 -9.087 1.00 0.00 O ATOM 445 CB HIS A 29 -4.803 5.845 -12.330 1.00 0.00 C ATOM 446 CG HIS A 29 -3.894 5.078 -13.239 1.00 0.00 C ATOM 447 ND1 HIS A 29 -2.749 4.446 -12.802 1.00 0.00 N ATOM 448 CD2 HIS A 29 -3.966 4.842 -14.571 1.00 0.00 C ATOM 449 CE1 HIS A 29 -2.157 3.855 -13.824 1.00 0.00 C ATOM 450 NE2 HIS A 29 -2.875 4.079 -14.908 1.00 0.00 N ATOM 0 H HIS A 29 -7.205 5.542 -11.556 1.00 0.00 H new ATOM 0 HA HIS A 29 -4.707 4.100 -11.082 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -5.697 6.134 -12.883 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.306 6.765 -12.024 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -4.737 5.189 -15.243 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.241 3.285 -13.780 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.655 3.740 -15.845 1.00 0.00 H new ATOM 459 N LEU A 30 -3.508 5.908 -9.582 1.00 0.00 N ATOM 460 CA LEU A 30 -2.996 6.608 -8.410 1.00 0.00 C ATOM 461 C LEU A 30 -1.480 6.773 -8.486 1.00 0.00 C ATOM 462 O LEU A 30 -0.823 6.185 -9.345 1.00 0.00 O ATOM 463 CB LEU A 30 -3.380 5.851 -7.133 1.00 0.00 C ATOM 464 CG LEU A 30 -2.446 4.702 -6.743 1.00 0.00 C ATOM 465 CD1 LEU A 30 -3.016 3.917 -5.572 1.00 0.00 C ATOM 466 CD2 LEU A 30 -2.201 3.781 -7.926 1.00 0.00 C ATOM 0 H LEU A 30 -2.789 5.501 -10.180 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.445 7.601 -8.386 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.418 6.562 -6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.387 5.452 -7.257 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.492 5.133 -6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.336 3.106 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.136 4.579 -4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.985 3.503 -5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.535 2.972 -7.626 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.149 3.363 -8.264 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.743 4.346 -8.738 1.00 0.00 H new ATOM 478 N THR A 31 -0.932 7.571 -7.575 1.00 0.00 N ATOM 479 CA THR A 31 0.506 7.805 -7.532 1.00 0.00 C ATOM 480 C THR A 31 1.209 6.662 -6.803 1.00 0.00 C ATOM 481 O THR A 31 0.743 6.205 -5.759 1.00 0.00 O ATOM 482 CB THR A 31 0.810 9.132 -6.836 1.00 0.00 C ATOM 483 OG1 THR A 31 0.558 9.039 -5.445 1.00 0.00 O ATOM 484 CG2 THR A 31 -0.002 10.290 -7.373 1.00 0.00 C ATOM 0 H THR A 31 -1.462 8.066 -6.858 1.00 0.00 H new ATOM 0 HA THR A 31 0.877 7.852 -8.556 1.00 0.00 H new ATOM 0 HB THR A 31 1.864 9.326 -7.034 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.328 8.647 -5.299 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.263 11.200 -6.835 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.209 10.421 -8.434 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.064 10.084 -7.237 1.00 0.00 H new ATOM 492 N PRO A 32 2.338 6.174 -7.345 1.00 0.00 N ATOM 493 CA PRO A 32 3.087 5.072 -6.734 1.00 0.00 C ATOM 494 C PRO A 32 3.799 5.480 -5.451 1.00 0.00 C ATOM 495 O PRO A 32 4.224 4.627 -4.672 1.00 0.00 O ATOM 496 CB PRO A 32 4.105 4.691 -7.810 1.00 0.00 C ATOM 497 CG PRO A 32 4.291 5.932 -8.613 1.00 0.00 C ATOM 498 CD PRO A 32 2.967 6.646 -8.593 1.00 0.00 C ATOM 0 HA PRO A 32 2.428 4.255 -6.440 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.045 4.362 -7.367 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.740 3.871 -8.428 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.077 6.557 -8.188 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.590 5.694 -9.634 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.095 7.728 -8.593 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.363 6.396 -9.466 1.00 0.00 H new ATOM 506 N SER A 33 3.929 6.781 -5.232 1.00 0.00 N ATOM 507 CA SER A 33 4.592 7.279 -4.036 1.00 0.00 C ATOM 508 C SER A 33 3.656 7.224 -2.844 1.00 0.00 C ATOM 509 O SER A 33 4.069 6.911 -1.728 1.00 0.00 O ATOM 510 CB SER A 33 5.097 8.707 -4.250 1.00 0.00 C ATOM 511 OG SER A 33 5.901 8.795 -5.413 1.00 0.00 O ATOM 0 H SER A 33 3.587 7.506 -5.862 1.00 0.00 H new ATOM 0 HA SER A 33 5.450 6.638 -3.833 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.249 9.386 -4.338 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.673 9.026 -3.381 1.00 0.00 H new ATOM 0 HG SER A 33 6.210 9.718 -5.528 1.00 0.00 H new ATOM 517 N GLU A 34 2.389 7.502 -3.093 1.00 0.00 N ATOM 518 CA GLU A 34 1.388 7.456 -2.041 1.00 0.00 C ATOM 519 C GLU A 34 0.862 6.047 -1.915 1.00 0.00 C ATOM 520 O GLU A 34 0.649 5.543 -0.814 1.00 0.00 O ATOM 521 CB GLU A 34 0.249 8.438 -2.322 1.00 0.00 C ATOM 522 CG GLU A 34 0.726 9.814 -2.757 1.00 0.00 C ATOM 523 CD GLU A 34 -0.388 10.662 -3.338 1.00 0.00 C ATOM 524 OE1 GLU A 34 -1.412 10.087 -3.761 1.00 0.00 O ATOM 525 OE2 GLU A 34 -0.236 11.901 -3.368 1.00 0.00 O ATOM 0 H GLU A 34 2.029 7.761 -4.011 1.00 0.00 H new ATOM 0 HA GLU A 34 1.850 7.753 -1.099 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.394 8.023 -3.098 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.361 8.541 -1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.162 10.330 -1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.517 9.702 -3.499 1.00 0.00 H new ATOM 532 N SER A 35 0.705 5.397 -3.053 1.00 0.00 N ATOM 533 CA SER A 35 0.258 4.021 -3.070 1.00 0.00 C ATOM 534 C SER A 35 1.413 3.125 -2.642 1.00 0.00 C ATOM 535 O SER A 35 1.213 1.974 -2.255 1.00 0.00 O ATOM 536 CB SER A 35 -0.250 3.633 -4.460 1.00 0.00 C ATOM 537 OG SER A 35 0.773 3.033 -5.237 1.00 0.00 O ATOM 0 H SER A 35 0.880 5.800 -3.974 1.00 0.00 H new ATOM 0 HA SER A 35 -0.572 3.898 -2.375 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.088 2.942 -4.363 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.625 4.519 -4.972 1.00 0.00 H new ATOM 0 HG SER A 35 0.443 2.194 -5.621 1.00 0.00 H new ATOM 543 N GLY A 36 2.630 3.677 -2.696 1.00 0.00 N ATOM 544 CA GLY A 36 3.796 2.930 -2.292 1.00 0.00 C ATOM 545 C GLY A 36 3.792 2.649 -0.809 1.00 0.00 C ATOM 546 O GLY A 36 4.304 1.623 -0.362 1.00 0.00 O ATOM 0 H GLY A 36 2.819 4.628 -3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.834 1.989 -2.841 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.695 3.488 -2.554 1.00 0.00 H new ATOM 550 N ILE A 37 3.203 3.560 -0.042 1.00 0.00 N ATOM 551 CA ILE A 37 3.130 3.390 1.405 1.00 0.00 C ATOM 552 C ILE A 37 2.196 2.244 1.767 1.00 0.00 C ATOM 553 O ILE A 37 2.402 1.553 2.763 1.00 0.00 O ATOM 554 CB ILE A 37 2.662 4.677 2.115 1.00 0.00 C ATOM 555 CG1 ILE A 37 3.610 5.834 1.793 1.00 0.00 C ATOM 556 CG2 ILE A 37 2.577 4.458 3.621 1.00 0.00 C ATOM 557 CD1 ILE A 37 3.041 6.818 0.800 1.00 0.00 C ATOM 0 H ILE A 37 2.773 4.416 -0.393 1.00 0.00 H new ATOM 0 HA ILE A 37 4.139 3.160 1.747 1.00 0.00 H new ATOM 0 HB ILE A 37 1.667 4.932 1.751 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.855 6.361 2.715 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.543 5.430 1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.245 5.377 4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.866 3.659 3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.559 4.181 4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.766 7.612 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.822 6.305 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.123 7.249 1.200 1.00 0.00 H new ATOM 569 N LEU A 38 1.180 2.039 0.943 1.00 0.00 N ATOM 570 CA LEU A 38 0.226 0.962 1.170 1.00 0.00 C ATOM 571 C LEU A 38 0.805 -0.367 0.698 1.00 0.00 C ATOM 572 O LEU A 38 0.347 -1.434 1.103 1.00 0.00 O ATOM 573 CB LEU A 38 -1.103 1.253 0.457 1.00 0.00 C ATOM 574 CG LEU A 38 -1.225 0.709 -0.972 1.00 0.00 C ATOM 575 CD1 LEU A 38 -1.964 -0.621 -0.975 1.00 0.00 C ATOM 576 CD2 LEU A 38 -1.933 1.714 -1.868 1.00 0.00 C ATOM 0 H LEU A 38 0.994 2.602 0.113 1.00 0.00 H new ATOM 0 HA LEU A 38 0.031 0.896 2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.914 0.836 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.250 2.333 0.429 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.221 0.546 -1.364 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.041 -0.992 -1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.417 -1.342 -0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.964 -0.483 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.010 1.310 -2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.932 1.909 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.365 2.644 -1.892 1.00 0.00 H new ATOM 588 N LYS A 39 1.817 -0.290 -0.163 1.00 0.00 N ATOM 589 CA LYS A 39 2.460 -1.483 -0.692 1.00 0.00 C ATOM 590 C LYS A 39 3.481 -2.028 0.291 1.00 0.00 C ATOM 591 O LYS A 39 3.653 -3.241 0.412 1.00 0.00 O ATOM 592 CB LYS A 39 3.131 -1.179 -2.034 1.00 0.00 C ATOM 593 CG LYS A 39 3.443 -2.421 -2.853 1.00 0.00 C ATOM 594 CD LYS A 39 4.937 -2.572 -3.095 1.00 0.00 C ATOM 595 CE LYS A 39 5.696 -2.770 -1.793 1.00 0.00 C ATOM 596 NZ LYS A 39 7.098 -3.211 -2.029 1.00 0.00 N ATOM 0 H LYS A 39 2.207 0.587 -0.507 1.00 0.00 H new ATOM 0 HA LYS A 39 1.692 -2.241 -0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.482 -0.524 -2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.056 -0.632 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.067 -3.303 -2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.923 -2.367 -3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.116 -3.422 -3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.315 -1.687 -3.606 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.699 -1.837 -1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.181 -3.511 -1.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.581 -3.335 -1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.096 -4.114 -2.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.598 -2.493 -2.591 1.00 0.00 H new ATOM 610 N ARG A 40 4.148 -1.130 1.000 1.00 0.00 N ATOM 611 CA ARG A 40 5.143 -1.539 1.983 1.00 0.00 C ATOM 612 C ARG A 40 4.463 -1.971 3.272 1.00 0.00 C ATOM 613 O ARG A 40 4.961 -2.835 3.993 1.00 0.00 O ATOM 614 CB ARG A 40 6.137 -0.408 2.254 1.00 0.00 C ATOM 615 CG ARG A 40 5.516 0.800 2.936 1.00 0.00 C ATOM 616 CD ARG A 40 5.993 0.941 4.374 1.00 0.00 C ATOM 617 NE ARG A 40 5.683 -0.242 5.176 1.00 0.00 N ATOM 618 CZ ARG A 40 6.562 -1.198 5.474 1.00 0.00 C ATOM 619 NH1 ARG A 40 7.807 -1.141 5.018 1.00 0.00 N ATOM 620 NH2 ARG A 40 6.188 -2.224 6.227 1.00 0.00 N ATOM 0 H ARG A 40 4.021 -0.121 0.915 1.00 0.00 H new ATOM 0 HA ARG A 40 5.697 -2.387 1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 40 6.947 -0.789 2.876 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.582 -0.093 1.310 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.768 1.702 2.379 1.00 0.00 H new ATOM 0 HG3 ARG A 40 4.430 0.709 2.920 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.069 1.112 4.383 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.527 1.817 4.826 1.00 0.00 H new ATOM 0 HE ARG A 40 4.732 -0.342 5.530 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.100 -0.359 4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.471 -1.879 5.253 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.231 -2.279 6.575 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.858 -2.958 6.458 1.00 0.00 H new ATOM 634 N LEU A 41 3.311 -1.376 3.544 1.00 0.00 N ATOM 635 CA LEU A 41 2.545 -1.710 4.734 1.00 0.00 C ATOM 636 C LEU A 41 1.802 -3.022 4.530 1.00 0.00 C ATOM 637 O LEU A 41 1.514 -3.741 5.486 1.00 0.00 O ATOM 638 CB LEU A 41 1.564 -0.587 5.075 1.00 0.00 C ATOM 639 CG LEU A 41 1.593 -0.121 6.531 1.00 0.00 C ATOM 640 CD1 LEU A 41 2.910 0.570 6.847 1.00 0.00 C ATOM 641 CD2 LEU A 41 0.423 0.806 6.814 1.00 0.00 C ATOM 0 H LEU A 41 2.886 -0.659 2.956 1.00 0.00 H new ATOM 0 HA LEU A 41 3.235 -1.826 5.569 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.776 0.267 4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.555 -0.923 4.837 1.00 0.00 H new ATOM 0 HG LEU A 41 1.504 -0.997 7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.910 0.894 7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.734 -0.125 6.683 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.031 1.437 6.197 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.458 1.129 7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.483 1.677 6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.513 0.278 6.629 1.00 0.00 H new ATOM 653 N LEU A 42 1.509 -3.336 3.273 1.00 0.00 N ATOM 654 CA LEU A 42 0.817 -4.573 2.945 1.00 0.00 C ATOM 655 C LEU A 42 1.739 -5.763 3.170 1.00 0.00 C ATOM 656 O LEU A 42 1.284 -6.872 3.448 1.00 0.00 O ATOM 657 CB LEU A 42 0.318 -4.551 1.498 1.00 0.00 C ATOM 658 CG LEU A 42 -1.195 -4.731 1.338 1.00 0.00 C ATOM 659 CD1 LEU A 42 -1.794 -3.581 0.542 1.00 0.00 C ATOM 660 CD2 LEU A 42 -1.507 -6.062 0.669 1.00 0.00 C ATOM 0 H LEU A 42 1.739 -2.753 2.469 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.049 -4.668 3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.607 -3.604 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.825 -5.340 0.942 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.645 -4.730 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.869 -3.730 0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.605 -2.642 1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.338 -3.547 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.586 -6.172 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.041 -6.092 -0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.117 -6.876 1.280 1.00 0.00 H new ATOM 672 N ILE A 43 3.042 -5.519 3.064 1.00 0.00 N ATOM 673 CA ILE A 43 4.027 -6.569 3.274 1.00 0.00 C ATOM 674 C ILE A 43 3.969 -7.064 4.715 1.00 0.00 C ATOM 675 O ILE A 43 4.257 -8.227 4.996 1.00 0.00 O ATOM 676 CB ILE A 43 5.459 -6.087 2.960 1.00 0.00 C ATOM 677 CG1 ILE A 43 5.483 -5.254 1.675 1.00 0.00 C ATOM 678 CG2 ILE A 43 6.400 -7.277 2.838 1.00 0.00 C ATOM 679 CD1 ILE A 43 4.823 -5.937 0.496 1.00 0.00 C ATOM 0 H ILE A 43 3.437 -4.607 2.835 1.00 0.00 H new ATOM 0 HA ILE A 43 3.783 -7.382 2.590 1.00 0.00 H new ATOM 0 HB ILE A 43 5.797 -5.455 3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.983 -4.303 1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.518 -5.026 1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.407 -6.923 2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 43 6.409 -7.832 3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.059 -7.929 2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.878 -5.288 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.337 -6.875 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.778 -6.141 0.731 1.00 0.00 H new ATOM 691 N ASN A 44 3.581 -6.170 5.624 1.00 0.00 N ATOM 692 CA ASN A 44 3.471 -6.516 7.036 1.00 0.00 C ATOM 693 C ASN A 44 2.045 -6.921 7.377 1.00 0.00 C ATOM 694 O ASN A 44 1.807 -7.960 7.993 1.00 0.00 O ATOM 695 CB ASN A 44 3.905 -5.337 7.910 1.00 0.00 C ATOM 696 CG ASN A 44 5.409 -5.150 7.922 1.00 0.00 C ATOM 697 OD1 ASN A 44 6.123 -5.705 7.087 1.00 0.00 O ATOM 698 ND2 ASN A 44 5.900 -4.363 8.873 1.00 0.00 N ATOM 0 H ASN A 44 3.339 -5.203 5.406 1.00 0.00 H new ATOM 0 HA ASN A 44 4.130 -7.361 7.233 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.431 -4.425 7.547 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.553 -5.495 8.929 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.905 -4.199 8.931 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.272 -3.923 9.545 1.00 0.00 H new ATOM 705 N LYS A 45 1.103 -6.090 6.963 1.00 0.00 N ATOM 706 CA LYS A 45 -0.313 -6.340 7.206 1.00 0.00 C ATOM 707 C LYS A 45 -0.592 -6.506 8.696 1.00 0.00 C ATOM 708 O LYS A 45 -0.509 -7.610 9.235 1.00 0.00 O ATOM 709 CB LYS A 45 -0.770 -7.586 6.446 1.00 0.00 C ATOM 710 CG LYS A 45 -1.196 -7.302 5.015 1.00 0.00 C ATOM 711 CD LYS A 45 -2.696 -7.076 4.915 1.00 0.00 C ATOM 712 CE LYS A 45 -3.265 -7.676 3.640 1.00 0.00 C ATOM 713 NZ LYS A 45 -4.597 -7.102 3.303 1.00 0.00 N ATOM 0 H LYS A 45 1.293 -5.228 6.452 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.874 -5.477 6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.041 -8.314 6.437 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.603 -8.043 6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.669 -6.423 4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.909 -8.137 4.376 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.190 -7.519 5.779 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.907 -6.007 4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.574 -7.499 2.816 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.354 -8.756 3.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.313 -7.856 3.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.849 -6.375 4.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.561 -6.673 2.356 1.00 0.00 H new ATOM 727 N GLY A 46 -0.924 -5.402 9.353 1.00 0.00 N ATOM 728 CA GLY A 46 -1.213 -5.442 10.775 1.00 0.00 C ATOM 729 C GLY A 46 0.042 -5.545 11.619 1.00 0.00 C ATOM 730 O GLY A 46 0.363 -6.614 12.138 1.00 0.00 O ATOM 0 H GLY A 46 -0.999 -4.478 8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.764 -4.544 11.056 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.861 -6.293 10.987 1.00 0.00 H new ATOM 734 N GLN A 47 0.753 -4.430 11.756 1.00 0.00 N ATOM 735 CA GLN A 47 1.980 -4.399 12.543 1.00 0.00 C ATOM 736 C GLN A 47 2.185 -3.028 13.178 1.00 0.00 C ATOM 737 O GLN A 47 1.786 -2.007 12.617 1.00 0.00 O ATOM 738 CB GLN A 47 3.182 -4.753 11.666 1.00 0.00 C ATOM 739 CG GLN A 47 4.241 -5.570 12.387 1.00 0.00 C ATOM 740 CD GLN A 47 3.975 -7.060 12.317 1.00 0.00 C ATOM 741 OE1 GLN A 47 3.776 -7.716 13.340 1.00 0.00 O ATOM 742 NE2 GLN A 47 3.971 -7.604 11.106 1.00 0.00 N ATOM 0 H GLN A 47 0.500 -3.537 11.333 1.00 0.00 H new ATOM 0 HA GLN A 47 1.890 -5.138 13.339 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.835 -5.310 10.796 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.634 -3.833 11.296 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.217 -5.358 11.951 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.284 -5.261 13.431 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.141 -7.023 10.285 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.798 -8.603 10.996 1.00 0.00 H new ATOM 751 N LEU A 48 2.811 -3.012 14.350 1.00 0.00 N ATOM 752 CA LEU A 48 3.070 -1.765 15.061 1.00 0.00 C ATOM 753 C LEU A 48 4.368 -1.126 14.580 1.00 0.00 C ATOM 754 O LEU A 48 5.458 -1.523 14.991 1.00 0.00 O ATOM 755 CB LEU A 48 3.137 -2.017 16.568 1.00 0.00 C ATOM 756 CG LEU A 48 2.497 -0.927 17.434 1.00 0.00 C ATOM 757 CD1 LEU A 48 1.588 -1.543 18.486 1.00 0.00 C ATOM 758 CD2 LEU A 48 3.568 -0.068 18.090 1.00 0.00 C ATOM 0 H LEU A 48 3.148 -3.848 14.828 1.00 0.00 H new ATOM 0 HA LEU A 48 2.250 -1.078 14.852 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.648 -2.967 16.785 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.182 -2.123 16.858 1.00 0.00 H new ATOM 0 HG LEU A 48 1.892 -0.289 16.790 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.143 -0.753 19.091 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.798 -2.113 17.996 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.170 -2.206 19.127 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.094 0.700 18.701 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.201 -0.693 18.720 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.177 0.405 17.320 1.00 0.00 H new ATOM 770 N CYS A 49 4.242 -0.133 13.706 1.00 0.00 N ATOM 771 CA CYS A 49 5.403 0.564 13.167 1.00 0.00 C ATOM 772 C CYS A 49 5.527 1.960 13.769 1.00 0.00 C ATOM 773 O CYS A 49 4.622 2.436 14.453 1.00 0.00 O ATOM 774 CB CYS A 49 5.305 0.659 11.643 1.00 0.00 C ATOM 775 SG CYS A 49 6.117 -0.697 10.766 1.00 0.00 S ATOM 0 H CYS A 49 3.346 0.207 13.356 1.00 0.00 H new ATOM 0 HA CYS A 49 6.293 -0.006 13.432 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.253 0.684 11.358 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.745 1.602 11.319 1.00 0.00 H new ATOM 0 HG CYS A 49 5.978 -0.530 9.484 1.00 0.00 H new ATOM 781 N LEU A 50 6.655 2.612 13.508 1.00 0.00 N ATOM 782 CA LEU A 50 6.901 3.955 14.021 1.00 0.00 C ATOM 783 C LEU A 50 6.793 4.988 12.905 1.00 0.00 C ATOM 784 O LEU A 50 6.888 4.653 11.725 1.00 0.00 O ATOM 785 CB LEU A 50 8.283 4.031 14.673 1.00 0.00 C ATOM 786 CG LEU A 50 8.476 3.128 15.893 1.00 0.00 C ATOM 787 CD1 LEU A 50 7.384 3.381 16.922 1.00 0.00 C ATOM 788 CD2 LEU A 50 8.490 1.665 15.476 1.00 0.00 C ATOM 0 H LEU A 50 7.414 2.232 12.943 1.00 0.00 H new ATOM 0 HA LEU A 50 6.143 4.176 14.772 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.034 3.773 13.927 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.471 5.063 14.971 1.00 0.00 H new ATOM 0 HG LEU A 50 9.438 3.364 16.348 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.537 2.730 17.783 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.421 4.422 17.243 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.411 3.172 16.478 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.628 1.037 16.356 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.544 1.414 14.996 1.00 0.00 H new ATOM 0 HD23 LEU A 50 9.308 1.494 14.776 1.00 0.00 H new ATOM 800 N ARG A 51 6.592 6.246 13.285 1.00 0.00 N ATOM 801 CA ARG A 51 6.466 7.327 12.314 1.00 0.00 C ATOM 802 C ARG A 51 7.761 7.529 11.542 1.00 0.00 C ATOM 803 O ARG A 51 7.843 7.231 10.351 1.00 0.00 O ATOM 804 CB ARG A 51 6.072 8.627 13.017 1.00 0.00 C ATOM 805 CG ARG A 51 4.709 8.568 13.687 1.00 0.00 C ATOM 806 CD ARG A 51 4.496 9.744 14.628 1.00 0.00 C ATOM 807 NE ARG A 51 4.347 9.313 16.017 1.00 0.00 N ATOM 808 CZ ARG A 51 4.505 10.119 17.064 1.00 0.00 C ATOM 809 NH1 ARG A 51 4.817 11.397 16.886 1.00 0.00 N ATOM 810 NH2 ARG A 51 4.350 9.647 18.293 1.00 0.00 N ATOM 0 H ARG A 51 6.513 6.542 14.258 1.00 0.00 H new ATOM 0 HA ARG A 51 5.686 7.050 11.605 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.826 8.868 13.767 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.075 9.439 12.290 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.929 8.564 12.926 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.616 7.635 14.243 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.340 10.429 14.549 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.608 10.297 14.322 1.00 0.00 H new ATOM 0 HE ARG A 51 4.108 8.337 16.194 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.937 11.766 15.943 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.937 12.010 17.693 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.110 8.666 18.436 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.471 10.265 19.096 1.00 0.00 H new ATOM 824 N LYS A 52 8.764 8.041 12.234 1.00 0.00 N ATOM 825 CA LYS A 52 10.067 8.300 11.628 1.00 0.00 C ATOM 826 C LYS A 52 10.637 7.051 10.976 1.00 0.00 C ATOM 827 O LYS A 52 11.470 7.135 10.074 1.00 0.00 O ATOM 828 CB LYS A 52 11.046 8.845 12.669 1.00 0.00 C ATOM 829 CG LYS A 52 10.480 9.985 13.500 1.00 0.00 C ATOM 830 CD LYS A 52 11.507 11.087 13.711 1.00 0.00 C ATOM 831 CE LYS A 52 11.296 12.241 12.743 1.00 0.00 C ATOM 832 NZ LYS A 52 11.271 13.555 13.442 1.00 0.00 N ATOM 0 H LYS A 52 8.704 8.288 13.222 1.00 0.00 H new ATOM 0 HA LYS A 52 9.924 9.050 10.850 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.344 8.035 13.334 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.948 9.189 12.162 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.601 10.396 13.004 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.151 9.603 14.467 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.443 11.454 14.735 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.510 10.680 13.581 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.093 12.241 11.999 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.358 12.098 12.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.125 14.315 12.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.495 13.565 14.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.175 13.704 13.933 1.00 0.00 H new ATOM 846 N HIS A 53 10.178 5.898 11.423 1.00 0.00 N ATOM 847 CA HIS A 53 10.636 4.640 10.866 1.00 0.00 C ATOM 848 C HIS A 53 9.877 4.324 9.590 1.00 0.00 C ATOM 849 O HIS A 53 10.405 3.689 8.677 1.00 0.00 O ATOM 850 CB HIS A 53 10.446 3.526 11.882 1.00 0.00 C ATOM 851 CG HIS A 53 11.316 2.332 11.640 1.00 0.00 C ATOM 852 ND1 HIS A 53 12.606 2.424 11.160 1.00 0.00 N ATOM 853 CD2 HIS A 53 11.076 1.010 11.816 1.00 0.00 C ATOM 854 CE1 HIS A 53 13.120 1.212 11.049 1.00 0.00 C ATOM 855 NE2 HIS A 53 12.213 0.337 11.442 1.00 0.00 N ATOM 0 H HIS A 53 9.489 5.806 12.170 1.00 0.00 H new ATOM 0 HA HIS A 53 11.696 4.723 10.627 1.00 0.00 H new ATOM 0 HB2 HIS A 53 10.651 3.917 12.879 1.00 0.00 H new ATOM 0 HB3 HIS A 53 9.402 3.212 11.871 1.00 0.00 H new ATOM 0 HD2 HIS A 53 10.161 0.568 12.182 1.00 0.00 H new ATOM 0 HE1 HIS A 53 14.113 0.977 10.697 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.337 -0.675 11.464 1.00 0.00 H new ATOM 864 N LEU A 54 8.639 4.791 9.527 1.00 0.00 N ATOM 865 CA LEU A 54 7.811 4.579 8.354 1.00 0.00 C ATOM 866 C LEU A 54 8.373 5.363 7.186 1.00 0.00 C ATOM 867 O LEU A 54 8.552 4.830 6.092 1.00 0.00 O ATOM 868 CB LEU A 54 6.365 4.999 8.623 1.00 0.00 C ATOM 869 CG LEU A 54 5.319 4.317 7.738 1.00 0.00 C ATOM 870 CD1 LEU A 54 4.676 3.150 8.472 1.00 0.00 C ATOM 871 CD2 LEU A 54 4.261 5.316 7.293 1.00 0.00 C ATOM 0 H LEU A 54 8.188 5.318 10.275 1.00 0.00 H new ATOM 0 HA LEU A 54 7.815 3.516 8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.129 4.789 9.666 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.285 6.078 8.489 1.00 0.00 H new ATOM 0 HG LEU A 54 5.821 3.930 6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.935 2.678 7.827 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.442 2.422 8.739 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.190 3.513 9.377 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.526 4.812 6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.764 5.734 8.169 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.734 6.118 6.726 1.00 0.00 H new ATOM 883 N LEU A 55 8.663 6.630 7.436 1.00 0.00 N ATOM 884 CA LEU A 55 9.224 7.498 6.403 1.00 0.00 C ATOM 885 C LEU A 55 10.474 6.875 5.795 1.00 0.00 C ATOM 886 O LEU A 55 10.807 7.132 4.639 1.00 0.00 O ATOM 887 CB LEU A 55 9.550 8.897 6.946 1.00 0.00 C ATOM 888 CG LEU A 55 9.848 8.987 8.448 1.00 0.00 C ATOM 889 CD1 LEU A 55 11.264 9.479 8.693 1.00 0.00 C ATOM 890 CD2 LEU A 55 8.832 9.889 9.140 1.00 0.00 C ATOM 0 H LEU A 55 8.522 7.082 8.339 1.00 0.00 H new ATOM 0 HA LEU A 55 8.464 7.606 5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.412 9.284 6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.710 9.555 6.723 1.00 0.00 H new ATOM 0 HG LEU A 55 9.764 7.987 8.873 1.00 0.00 H new ATOM 0 HD11 LEU A 55 11.450 9.534 9.766 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.973 8.788 8.237 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.387 10.468 8.253 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.058 9.942 10.205 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.880 10.889 8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.830 9.482 9.002 1.00 0.00 H new ATOM 902 N GLU A 56 11.157 6.047 6.576 1.00 0.00 N ATOM 903 CA GLU A 56 12.365 5.384 6.103 1.00 0.00 C ATOM 904 C GLU A 56 12.036 4.388 4.999 1.00 0.00 C ATOM 905 O GLU A 56 12.872 4.093 4.145 1.00 0.00 O ATOM 906 CB GLU A 56 13.075 4.674 7.257 1.00 0.00 C ATOM 907 CG GLU A 56 13.574 5.618 8.340 1.00 0.00 C ATOM 908 CD GLU A 56 15.077 5.548 8.529 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.803 5.531 7.513 1.00 0.00 O ATOM 910 OE2 GLU A 56 15.527 5.510 9.694 1.00 0.00 O ATOM 0 H GLU A 56 10.896 5.820 7.536 1.00 0.00 H new ATOM 0 HA GLU A 56 13.032 6.145 5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.391 3.952 7.703 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.920 4.111 6.861 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.291 6.639 8.085 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.082 5.377 9.282 1.00 0.00 H new ATOM 917 N GLU A 57 10.812 3.878 5.018 1.00 0.00 N ATOM 918 CA GLU A 57 10.368 2.920 4.012 1.00 0.00 C ATOM 919 C GLU A 57 9.740 3.632 2.823 1.00 0.00 C ATOM 920 O GLU A 57 9.649 3.074 1.729 1.00 0.00 O ATOM 921 CB GLU A 57 9.379 1.925 4.620 1.00 0.00 C ATOM 922 CG GLU A 57 9.911 1.213 5.853 1.00 0.00 C ATOM 923 CD GLU A 57 11.115 0.343 5.549 1.00 0.00 C ATOM 924 OE1 GLU A 57 10.963 -0.638 4.792 1.00 0.00 O ATOM 925 OE2 GLU A 57 12.211 0.644 6.068 1.00 0.00 O ATOM 0 H GLU A 57 10.108 4.111 5.719 1.00 0.00 H new ATOM 0 HA GLU A 57 11.241 2.372 3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.462 2.452 4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.115 1.182 3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.182 1.952 6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.121 0.597 6.282 1.00 0.00 H new ATOM 932 N ILE A 58 9.338 4.877 3.033 1.00 0.00 N ATOM 933 CA ILE A 58 8.757 5.671 1.965 1.00 0.00 C ATOM 934 C ILE A 58 9.842 6.522 1.322 1.00 0.00 C ATOM 935 O ILE A 58 9.719 6.944 0.173 1.00 0.00 O ATOM 936 CB ILE A 58 7.608 6.580 2.455 1.00 0.00 C ATOM 937 CG1 ILE A 58 6.887 5.957 3.656 1.00 0.00 C ATOM 938 CG2 ILE A 58 6.626 6.837 1.321 1.00 0.00 C ATOM 939 CD1 ILE A 58 6.042 4.751 3.306 1.00 0.00 C ATOM 0 H ILE A 58 9.404 5.356 3.931 1.00 0.00 H new ATOM 0 HA ILE A 58 8.331 4.978 1.239 1.00 0.00 H new ATOM 0 HB ILE A 58 8.036 7.530 2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.628 5.666 4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.251 6.712 4.117 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.820 7.479 1.676 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.143 7.327 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.211 5.890 0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.565 4.367 4.208 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.277 5.040 2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.675 3.977 2.873 1.00 0.00 H new ATOM 951 N LYS A 59 10.922 6.744 2.070 1.00 0.00 N ATOM 952 CA LYS A 59 12.049 7.515 1.576 1.00 0.00 C ATOM 953 C LYS A 59 12.883 6.657 0.635 1.00 0.00 C ATOM 954 O LYS A 59 13.440 7.152 -0.345 1.00 0.00 O ATOM 955 CB LYS A 59 12.910 8.015 2.738 1.00 0.00 C ATOM 956 CG LYS A 59 13.851 9.146 2.356 1.00 0.00 C ATOM 957 CD LYS A 59 14.012 10.143 3.493 1.00 0.00 C ATOM 958 CE LYS A 59 15.195 11.068 3.261 1.00 0.00 C ATOM 959 NZ LYS A 59 15.017 12.380 3.941 1.00 0.00 N ATOM 0 H LYS A 59 11.035 6.397 3.023 1.00 0.00 H new ATOM 0 HA LYS A 59 11.672 8.381 1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.258 8.353 3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.495 7.183 3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.825 8.736 2.089 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.468 9.658 1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.101 10.734 3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.147 9.606 4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.105 10.591 3.625 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.325 11.229 2.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.846 12.981 3.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.163 12.847 3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.918 12.230 4.965 1.00 0.00 H new ATOM 973 N ASN A 60 12.952 5.358 0.930 1.00 0.00 N ATOM 974 CA ASN A 60 13.703 4.433 0.096 1.00 0.00 C ATOM 975 C ASN A 60 13.016 4.277 -1.257 1.00 0.00 C ATOM 976 O ASN A 60 13.667 4.053 -2.278 1.00 0.00 O ATOM 977 CB ASN A 60 13.829 3.072 0.785 1.00 0.00 C ATOM 978 CG ASN A 60 15.243 2.789 1.252 1.00 0.00 C ATOM 979 OD1 ASN A 60 16.181 2.772 0.455 1.00 0.00 O ATOM 980 ND2 ASN A 60 15.404 2.565 2.551 1.00 0.00 N ATOM 0 H ASN A 60 12.498 4.929 1.737 1.00 0.00 H new ATOM 0 HA ASN A 60 14.704 4.835 -0.059 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.153 3.037 1.639 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.513 2.289 0.096 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.333 2.369 2.923 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.598 2.589 3.176 1.00 0.00 H new ATOM 987 N HIS A 61 11.692 4.404 -1.249 1.00 0.00 N ATOM 988 CA HIS A 61 10.897 4.287 -2.457 1.00 0.00 C ATOM 989 C HIS A 61 10.711 5.652 -3.116 1.00 0.00 C ATOM 990 O HIS A 61 11.058 5.845 -4.281 1.00 0.00 O ATOM 991 CB HIS A 61 9.535 3.673 -2.130 1.00 0.00 C ATOM 992 CG HIS A 61 8.729 3.321 -3.341 1.00 0.00 C ATOM 993 ND1 HIS A 61 7.365 3.512 -3.421 1.00 0.00 N ATOM 994 CD2 HIS A 61 9.102 2.789 -4.530 1.00 0.00 C ATOM 995 CE1 HIS A 61 6.935 3.112 -4.604 1.00 0.00 C ATOM 996 NE2 HIS A 61 7.968 2.670 -5.296 1.00 0.00 N ATOM 0 H HIS A 61 11.147 4.590 -0.407 1.00 0.00 H new ATOM 0 HA HIS A 61 11.424 3.637 -3.155 1.00 0.00 H new ATOM 0 HB2 HIS A 61 9.685 2.775 -1.531 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.968 4.374 -1.518 1.00 0.00 H new ATOM 0 HD2 HIS A 61 10.104 2.510 -4.821 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.911 3.142 -4.947 1.00 0.00 H new ATOM 0 HE2 HIS A 61 7.930 2.300 -6.246 1.00 0.00 H new ATOM 1005 N ALA A 62 10.165 6.595 -2.355 1.00 0.00 N ATOM 1006 CA ALA A 62 9.931 7.948 -2.848 1.00 0.00 C ATOM 1007 C ALA A 62 9.506 8.870 -1.713 1.00 0.00 C ATOM 1008 O ALA A 62 8.444 8.685 -1.117 1.00 0.00 O ATOM 1009 CB ALA A 62 8.877 7.945 -3.945 1.00 0.00 C ATOM 0 H ALA A 62 9.875 6.446 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 62 10.866 8.321 -3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.717 8.963 -4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.215 7.322 -4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.942 7.547 -3.550 1.00 0.00 H new ATOM 1015 N LYS A 63 10.338 9.861 -1.413 1.00 0.00 N ATOM 1016 CA LYS A 63 10.042 10.808 -0.344 1.00 0.00 C ATOM 1017 C LYS A 63 8.997 11.828 -0.790 1.00 0.00 C ATOM 1018 O LYS A 63 9.235 13.035 -0.748 1.00 0.00 O ATOM 1019 CB LYS A 63 11.323 11.521 0.098 1.00 0.00 C ATOM 1020 CG LYS A 63 11.471 11.627 1.607 1.00 0.00 C ATOM 1021 CD LYS A 63 10.885 12.927 2.136 1.00 0.00 C ATOM 1022 CE LYS A 63 9.581 12.690 2.881 1.00 0.00 C ATOM 1023 NZ LYS A 63 9.808 12.062 4.212 1.00 0.00 N ATOM 0 H LYS A 63 11.222 10.030 -1.894 1.00 0.00 H new ATOM 0 HA LYS A 63 9.635 10.252 0.501 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.183 10.988 -0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.338 12.523 -0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.973 10.782 2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.526 11.567 1.875 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.603 13.406 2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.712 13.613 1.307 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.060 13.638 3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.933 12.049 2.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.898 11.948 4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.252 11.130 4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.433 12.669 4.780 1.00 0.00 H new ATOM 1092 N ARG A 68 4.684 17.641 1.165 1.00 0.00 N ATOM 1093 CA ARG A 68 5.608 18.283 2.095 1.00 0.00 C ATOM 1094 C ARG A 68 6.261 17.262 3.021 1.00 0.00 C ATOM 1095 O ARG A 68 7.376 17.467 3.501 1.00 0.00 O ATOM 1096 CB ARG A 68 4.877 19.344 2.921 1.00 0.00 C ATOM 1097 CG ARG A 68 4.514 20.589 2.128 1.00 0.00 C ATOM 1098 CD ARG A 68 5.443 21.749 2.449 1.00 0.00 C ATOM 1099 NE ARG A 68 5.363 22.142 3.854 1.00 0.00 N ATOM 1100 CZ ARG A 68 6.282 22.883 4.470 1.00 0.00 C ATOM 1101 NH1 ARG A 68 7.351 23.311 3.810 1.00 0.00 N ATOM 1102 NH2 ARG A 68 6.132 23.195 5.750 1.00 0.00 N ATOM 0 HA ARG A 68 6.393 18.761 1.509 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.967 18.908 3.334 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.504 19.631 3.765 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.562 20.368 1.062 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.485 20.874 2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.469 21.469 2.209 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.189 22.602 1.819 1.00 0.00 H new ATOM 0 HE ARG A 68 4.556 21.831 4.395 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.472 23.073 2.826 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.052 23.878 4.287 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.313 22.867 6.262 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.836 23.763 6.222 1.00 0.00 H new ATOM 1116 N ASN A 69 5.560 16.164 3.265 1.00 0.00 N ATOM 1117 CA ASN A 69 6.066 15.104 4.131 1.00 0.00 C ATOM 1118 C ASN A 69 5.401 13.773 3.798 1.00 0.00 C ATOM 1119 O ASN A 69 4.656 13.672 2.823 1.00 0.00 O ATOM 1120 CB ASN A 69 5.823 15.456 5.600 1.00 0.00 C ATOM 1121 CG ASN A 69 6.412 16.801 5.979 1.00 0.00 C ATOM 1122 OD1 ASN A 69 7.586 16.898 6.338 1.00 0.00 O ATOM 1123 ND2 ASN A 69 5.599 17.847 5.900 1.00 0.00 N ATOM 0 H ASN A 69 4.635 15.982 2.875 1.00 0.00 H new ATOM 0 HA ASN A 69 7.139 15.009 3.962 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.751 15.464 5.796 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.257 14.682 6.233 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.940 18.777 6.142 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.633 17.721 5.598 1.00 0.00 H new ATOM 1130 N VAL A 70 5.670 12.753 4.608 1.00 0.00 N ATOM 1131 CA VAL A 70 5.087 11.438 4.382 1.00 0.00 C ATOM 1132 C VAL A 70 3.714 11.327 5.026 1.00 0.00 C ATOM 1133 O VAL A 70 2.798 10.730 4.462 1.00 0.00 O ATOM 1134 CB VAL A 70 5.991 10.304 4.910 1.00 0.00 C ATOM 1135 CG1 VAL A 70 6.096 10.346 6.427 1.00 0.00 C ATOM 1136 CG2 VAL A 70 5.467 8.954 4.447 1.00 0.00 C ATOM 0 H VAL A 70 6.284 12.812 5.421 1.00 0.00 H new ATOM 0 HA VAL A 70 4.989 11.326 3.302 1.00 0.00 H new ATOM 0 HB VAL A 70 6.991 10.450 4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.739 9.535 6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.520 11.301 6.736 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.104 10.231 6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.114 8.163 4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.455 8.808 4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.456 8.922 3.358 1.00 0.00 H new ATOM 1146 N ASP A 71 3.582 11.911 6.206 1.00 0.00 N ATOM 1147 CA ASP A 71 2.319 11.885 6.936 1.00 0.00 C ATOM 1148 C ASP A 71 1.210 12.512 6.107 1.00 0.00 C ATOM 1149 O ASP A 71 0.071 12.044 6.112 1.00 0.00 O ATOM 1150 CB ASP A 71 2.458 12.611 8.276 1.00 0.00 C ATOM 1151 CG ASP A 71 2.497 11.653 9.450 1.00 0.00 C ATOM 1152 OD1 ASP A 71 3.595 11.155 9.775 1.00 0.00 O ATOM 1153 OD2 ASP A 71 1.428 11.400 10.045 1.00 0.00 O ATOM 0 H ASP A 71 4.334 12.410 6.682 1.00 0.00 H new ATOM 0 HA ASP A 71 2.058 10.845 7.132 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.369 13.210 8.269 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.623 13.301 8.401 1.00 0.00 H new ATOM 1158 N VAL A 72 1.560 13.559 5.382 1.00 0.00 N ATOM 1159 CA VAL A 72 0.606 14.245 4.525 1.00 0.00 C ATOM 1160 C VAL A 72 0.344 13.425 3.269 1.00 0.00 C ATOM 1161 O VAL A 72 -0.702 13.553 2.634 1.00 0.00 O ATOM 1162 CB VAL A 72 1.103 15.647 4.124 1.00 0.00 C ATOM 1163 CG1 VAL A 72 0.000 16.425 3.423 1.00 0.00 C ATOM 1164 CG2 VAL A 72 1.606 16.403 5.344 1.00 0.00 C ATOM 0 H VAL A 72 2.500 13.955 5.369 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.317 14.360 5.093 1.00 0.00 H new ATOM 0 HB VAL A 72 1.933 15.533 3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.370 17.413 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.309 15.890 2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.853 16.531 4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.953 17.391 5.042 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.796 16.508 6.066 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.429 15.853 5.799 1.00 0.00 H new ATOM 1174 N HIS A 73 1.301 12.568 2.929 1.00 0.00 N ATOM 1175 CA HIS A 73 1.179 11.707 1.764 1.00 0.00 C ATOM 1176 C HIS A 73 0.211 10.567 2.049 1.00 0.00 C ATOM 1177 O HIS A 73 -0.434 10.042 1.141 1.00 0.00 O ATOM 1178 CB HIS A 73 2.548 11.151 1.365 1.00 0.00 C ATOM 1179 CG HIS A 73 2.844 11.283 -0.097 1.00 0.00 C ATOM 1180 ND1 HIS A 73 2.383 12.330 -0.866 1.00 0.00 N ATOM 1181 CD2 HIS A 73 3.560 10.492 -0.931 1.00 0.00 C ATOM 1182 CE1 HIS A 73 2.802 12.177 -2.110 1.00 0.00 C ATOM 1183 NE2 HIS A 73 3.518 11.071 -2.175 1.00 0.00 N ATOM 0 H HIS A 73 2.172 12.453 3.448 1.00 0.00 H new ATOM 0 HA HIS A 73 0.789 12.299 0.936 1.00 0.00 H new ATOM 0 HB2 HIS A 73 3.321 11.669 1.932 1.00 0.00 H new ATOM 0 HB3 HIS A 73 2.599 10.099 1.644 1.00 0.00 H new ATOM 0 HD1 HIS A 73 1.808 13.102 -0.528 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.069 9.577 -0.667 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.594 12.844 -2.933 1.00 0.00 H new ATOM 1192 N ILE A 74 0.109 10.196 3.320 1.00 0.00 N ATOM 1193 CA ILE A 74 -0.788 9.126 3.731 1.00 0.00 C ATOM 1194 C ILE A 74 -2.239 9.548 3.555 1.00 0.00 C ATOM 1195 O ILE A 74 -3.105 8.732 3.238 1.00 0.00 O ATOM 1196 CB ILE A 74 -0.558 8.719 5.201 1.00 0.00 C ATOM 1197 CG1 ILE A 74 0.913 8.371 5.442 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -1.450 7.545 5.576 1.00 0.00 C ATOM 1199 CD1 ILE A 74 1.471 7.366 4.458 1.00 0.00 C ATOM 0 H ILE A 74 0.637 10.621 4.082 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.572 8.268 3.095 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.818 9.567 5.834 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.506 9.284 5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.023 7.976 6.452 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.274 7.272 6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.495 7.826 5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.221 6.694 4.934 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.517 7.170 4.692 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.904 6.438 4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.395 7.766 3.447 1.00 0.00 H new ATOM 1211 N ALA A 75 -2.493 10.832 3.763 1.00 0.00 N ATOM 1212 CA ALA A 75 -3.834 11.377 3.629 1.00 0.00 C ATOM 1213 C ALA A 75 -4.233 11.491 2.166 1.00 0.00 C ATOM 1214 O ALA A 75 -5.412 11.400 1.822 1.00 0.00 O ATOM 1215 CB ALA A 75 -3.931 12.730 4.318 1.00 0.00 C ATOM 0 H ALA A 75 -1.784 11.517 4.026 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.528 10.691 4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.942 13.123 4.208 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.700 12.616 5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.221 13.421 3.864 1.00 0.00 H new ATOM 1221 N SER A 76 -3.242 11.679 1.308 1.00 0.00 N ATOM 1222 CA SER A 76 -3.486 11.793 -0.123 1.00 0.00 C ATOM 1223 C SER A 76 -3.761 10.426 -0.720 1.00 0.00 C ATOM 1224 O SER A 76 -4.526 10.295 -1.676 1.00 0.00 O ATOM 1225 CB SER A 76 -2.296 12.450 -0.825 1.00 0.00 C ATOM 1226 OG SER A 76 -2.483 13.849 -0.945 1.00 0.00 O ATOM 0 H SER A 76 -2.261 11.756 1.577 1.00 0.00 H new ATOM 0 HA SER A 76 -4.362 12.424 -0.272 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.383 12.249 -0.265 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.166 12.011 -1.814 1.00 0.00 H new ATOM 0 HG SER A 76 -1.708 14.245 -1.395 1.00 0.00 H new ATOM 1232 N LEU A 77 -3.153 9.405 -0.138 1.00 0.00 N ATOM 1233 CA LEU A 77 -3.360 8.048 -0.604 1.00 0.00 C ATOM 1234 C LEU A 77 -4.793 7.626 -0.326 1.00 0.00 C ATOM 1235 O LEU A 77 -5.378 6.835 -1.066 1.00 0.00 O ATOM 1236 CB LEU A 77 -2.389 7.082 0.072 1.00 0.00 C ATOM 1237 CG LEU A 77 -2.633 5.607 -0.242 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -2.630 5.374 -1.745 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -1.590 4.737 0.438 1.00 0.00 C ATOM 0 H LEU A 77 -2.516 9.491 0.654 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.173 8.019 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.373 7.340 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.449 7.224 1.151 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.614 5.330 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.805 4.318 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.418 5.969 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.665 5.668 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.780 3.690 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.597 5.014 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.643 4.882 1.517 1.00 0.00 H new ATOM 1251 N ARG A 78 -5.354 8.176 0.742 1.00 0.00 N ATOM 1252 CA ARG A 78 -6.726 7.878 1.122 1.00 0.00 C ATOM 1253 C ARG A 78 -7.689 8.317 0.025 1.00 0.00 C ATOM 1254 O ARG A 78 -8.821 7.840 -0.047 1.00 0.00 O ATOM 1255 CB ARG A 78 -7.075 8.574 2.440 1.00 0.00 C ATOM 1256 CG ARG A 78 -8.511 8.350 2.889 1.00 0.00 C ATOM 1257 CD ARG A 78 -9.353 9.604 2.715 1.00 0.00 C ATOM 1258 NE ARG A 78 -10.463 9.655 3.664 1.00 0.00 N ATOM 1259 CZ ARG A 78 -11.121 10.769 3.976 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -10.786 11.925 3.417 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -12.119 10.726 4.849 1.00 0.00 N ATOM 0 H ARG A 78 -4.878 8.832 1.361 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.821 6.801 1.258 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.401 8.217 3.218 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.900 9.645 2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.949 7.534 2.315 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.522 8.045 3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.724 10.484 2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.744 9.640 1.698 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.750 8.786 4.114 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.020 11.963 2.744 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.294 12.775 3.660 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.381 9.840 5.280 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.624 11.579 5.089 1.00 0.00 H new ATOM 1275 N LYS A 79 -7.231 9.228 -0.831 1.00 0.00 N ATOM 1276 CA LYS A 79 -8.059 9.723 -1.924 1.00 0.00 C ATOM 1277 C LYS A 79 -8.102 8.723 -3.069 1.00 0.00 C ATOM 1278 O LYS A 79 -9.165 8.430 -3.617 1.00 0.00 O ATOM 1279 CB LYS A 79 -7.541 11.074 -2.422 1.00 0.00 C ATOM 1280 CG LYS A 79 -8.263 12.265 -1.812 1.00 0.00 C ATOM 1281 CD LYS A 79 -8.443 13.386 -2.822 1.00 0.00 C ATOM 1282 CE LYS A 79 -9.616 13.117 -3.750 1.00 0.00 C ATOM 1283 NZ LYS A 79 -10.912 13.521 -3.138 1.00 0.00 N ATOM 0 H LYS A 79 -6.297 9.635 -0.788 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.072 9.855 -1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.477 11.151 -2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.642 11.115 -3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.238 11.949 -1.440 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.699 12.633 -0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.602 14.328 -2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.531 13.498 -3.409 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.471 13.659 -4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.647 12.056 -3.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.687 13.321 -3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.063 12.986 -2.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.893 14.539 -2.924 1.00 0.00 H new ATOM 1297 N LYS A 80 -6.940 8.201 -3.418 1.00 0.00 N ATOM 1298 CA LYS A 80 -6.829 7.228 -4.492 1.00 0.00 C ATOM 1299 C LYS A 80 -7.160 5.832 -3.988 1.00 0.00 C ATOM 1300 O LYS A 80 -7.991 5.127 -4.561 1.00 0.00 O ATOM 1301 CB LYS A 80 -5.422 7.253 -5.091 1.00 0.00 C ATOM 1302 CG LYS A 80 -5.264 8.247 -6.232 1.00 0.00 C ATOM 1303 CD LYS A 80 -4.133 9.228 -5.968 1.00 0.00 C ATOM 1304 CE LYS A 80 -4.210 10.431 -6.894 1.00 0.00 C ATOM 1305 NZ LYS A 80 -3.521 10.180 -8.190 1.00 0.00 N ATOM 0 H LYS A 80 -6.054 8.436 -2.971 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.546 7.494 -5.269 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.706 7.497 -4.306 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.172 6.255 -5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.070 7.709 -7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.196 8.795 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.175 9.562 -4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.175 8.725 -6.102 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -5.255 10.679 -7.081 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.760 11.295 -6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.088 11.063 -8.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.782 9.461 -8.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.211 9.841 -8.890 1.00 0.00 H new ATOM 1319 N LEU A 81 -6.505 5.452 -2.906 1.00 0.00 N ATOM 1320 CA LEU A 81 -6.716 4.145 -2.293 1.00 0.00 C ATOM 1321 C LEU A 81 -7.950 4.171 -1.392 1.00 0.00 C ATOM 1322 O LEU A 81 -8.977 3.571 -1.712 1.00 0.00 O ATOM 1323 CB LEU A 81 -5.475 3.735 -1.491 1.00 0.00 C ATOM 1324 CG LEU A 81 -5.689 2.618 -0.465 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -6.247 1.372 -1.134 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -4.386 2.301 0.254 1.00 0.00 C ATOM 0 H LEU A 81 -5.816 6.032 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.883 3.410 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.701 3.418 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.094 4.614 -0.971 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.415 2.963 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.391 0.591 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.203 1.607 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.548 1.023 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.555 1.505 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.639 1.978 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.029 3.192 0.770 1.00 0.00 H new ATOM 1338 N GLY A 82 -7.843 4.875 -0.270 1.00 0.00 N ATOM 1339 CA GLY A 82 -8.957 4.975 0.655 1.00 0.00 C ATOM 1340 C GLY A 82 -9.144 3.725 1.493 1.00 0.00 C ATOM 1341 O GLY A 82 -9.069 3.777 2.721 1.00 0.00 O ATOM 0 H GLY A 82 -7.003 5.379 0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.799 5.828 1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.871 5.170 0.095 1.00 0.00 H new ATOM 1345 N ALA A 83 -9.395 2.599 0.830 1.00 0.00 N ATOM 1346 CA ALA A 83 -9.602 1.327 1.519 1.00 0.00 C ATOM 1347 C ALA A 83 -8.556 1.092 2.596 1.00 0.00 C ATOM 1348 O ALA A 83 -8.848 1.130 3.791 1.00 0.00 O ATOM 1349 CB ALA A 83 -9.595 0.182 0.518 1.00 0.00 C ATOM 0 H ALA A 83 -9.460 2.541 -0.186 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.574 1.370 2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.750 -0.761 1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.394 0.329 -0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.636 0.156 0.001 1.00 0.00 H new ATOM 1355 N TYR A 84 -7.343 0.846 2.153 1.00 0.00 N ATOM 1356 CA TYR A 84 -6.225 0.595 3.055 1.00 0.00 C ATOM 1357 C TYR A 84 -5.613 1.900 3.560 1.00 0.00 C ATOM 1358 O TYR A 84 -4.817 1.897 4.498 1.00 0.00 O ATOM 1359 CB TYR A 84 -5.158 -0.247 2.354 1.00 0.00 C ATOM 1360 CG TYR A 84 -5.541 -1.702 2.206 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -5.763 -2.498 3.323 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -5.684 -2.279 0.950 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -6.115 -3.828 3.192 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -6.036 -3.608 0.812 1.00 0.00 C ATOM 1365 CZ TYR A 84 -6.250 -4.378 1.935 1.00 0.00 C ATOM 1366 OH TYR A 84 -6.601 -5.702 1.801 1.00 0.00 O ATOM 0 H TYR A 84 -7.097 0.813 1.164 1.00 0.00 H new ATOM 0 HA TYR A 84 -6.608 0.046 3.916 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -4.966 0.172 1.366 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.226 -0.180 2.916 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -5.659 -2.071 4.309 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.517 -1.679 0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.284 -4.434 4.070 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.143 -4.042 -0.171 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.655 -5.932 0.850 1.00 0.00 H new ATOM 1376 N GLY A 85 -5.991 3.016 2.940 1.00 0.00 N ATOM 1377 CA GLY A 85 -5.467 4.303 3.356 1.00 0.00 C ATOM 1378 C GLY A 85 -5.800 4.611 4.801 1.00 0.00 C ATOM 1379 O GLY A 85 -4.980 5.166 5.532 1.00 0.00 O ATOM 0 H GLY A 85 -6.648 3.050 2.161 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.385 4.314 3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.875 5.085 2.715 1.00 0.00 H new ATOM 1383 N SER A 86 -7.007 4.240 5.212 1.00 0.00 N ATOM 1384 CA SER A 86 -7.452 4.468 6.581 1.00 0.00 C ATOM 1385 C SER A 86 -6.896 3.398 7.516 1.00 0.00 C ATOM 1386 O SER A 86 -6.870 3.578 8.734 1.00 0.00 O ATOM 1387 CB SER A 86 -8.980 4.479 6.648 1.00 0.00 C ATOM 1388 OG SER A 86 -9.444 5.470 7.548 1.00 0.00 O ATOM 0 H SER A 86 -7.695 3.780 4.616 1.00 0.00 H new ATOM 0 HA SER A 86 -7.076 5.439 6.904 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.389 4.665 5.655 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.340 3.500 6.963 1.00 0.00 H new ATOM 0 HG SER A 86 -10.424 5.458 7.571 1.00 0.00 H new ATOM 1394 N ARG A 87 -6.448 2.284 6.940 1.00 0.00 N ATOM 1395 CA ARG A 87 -5.890 1.189 7.724 1.00 0.00 C ATOM 1396 C ARG A 87 -4.739 1.672 8.601 1.00 0.00 C ATOM 1397 O ARG A 87 -4.523 1.155 9.697 1.00 0.00 O ATOM 1398 CB ARG A 87 -5.419 0.067 6.807 1.00 0.00 C ATOM 1399 CG ARG A 87 -6.024 -1.276 7.164 1.00 0.00 C ATOM 1400 CD ARG A 87 -7.440 -1.412 6.626 1.00 0.00 C ATOM 1401 NE ARG A 87 -7.939 -2.780 6.736 1.00 0.00 N ATOM 1402 CZ ARG A 87 -9.111 -3.183 6.249 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -9.906 -2.326 5.619 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -9.489 -4.446 6.392 1.00 0.00 N ATOM 0 H ARG A 87 -6.461 2.118 5.934 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.676 0.807 8.376 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.676 0.314 5.777 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.332 -0.004 6.856 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.402 -2.075 6.760 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.033 -1.396 8.247 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.101 -0.740 7.173 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.462 -1.101 5.582 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.356 -3.467 7.214 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.620 -1.353 5.506 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.803 -2.640 5.248 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.882 -5.108 6.875 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.387 -4.755 6.019 1.00 0.00 H new ATOM 1418 N ILE A 88 -4.006 2.669 8.114 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.879 3.223 8.857 1.00 0.00 C ATOM 1420 C ILE A 88 -3.362 3.993 10.082 1.00 0.00 C ATOM 1421 O ILE A 88 -3.822 5.129 9.969 1.00 0.00 O ATOM 1422 CB ILE A 88 -2.027 4.159 7.975 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -1.751 3.502 6.618 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -0.723 4.512 8.680 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -0.822 4.299 5.726 1.00 0.00 C ATOM 0 H ILE A 88 -4.172 3.109 7.209 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.263 2.383 9.176 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.582 5.081 7.804 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.320 2.515 6.785 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.698 3.353 6.099 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.133 5.173 8.045 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.943 5.015 9.622 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.159 3.601 8.879 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.677 3.768 4.785 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.259 5.277 5.527 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.140 4.426 6.223 1.00 0.00 H new ATOM 1437 N VAL A 89 -3.262 3.366 11.251 1.00 0.00 N ATOM 1438 CA VAL A 89 -3.698 3.996 12.492 1.00 0.00 C ATOM 1439 C VAL A 89 -2.534 4.665 13.215 1.00 0.00 C ATOM 1440 O VAL A 89 -1.476 4.063 13.401 1.00 0.00 O ATOM 1441 CB VAL A 89 -4.358 2.977 13.440 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -5.054 3.689 14.590 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -5.336 2.093 12.680 1.00 0.00 C ATOM 0 H VAL A 89 -2.884 2.425 11.364 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.431 4.754 12.216 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.578 2.340 13.857 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.514 2.953 15.249 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.324 4.272 15.152 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.823 4.353 14.195 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.792 1.380 13.367 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.113 2.712 12.231 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.805 1.553 11.896 1.00 0.00 H new ATOM 1453 N THR A 90 -2.740 5.911 13.627 1.00 0.00 N ATOM 1454 CA THR A 90 -1.713 6.664 14.338 1.00 0.00 C ATOM 1455 C THR A 90 -2.132 6.908 15.783 1.00 0.00 C ATOM 1456 O THR A 90 -3.010 7.726 16.055 1.00 0.00 O ATOM 1457 CB THR A 90 -1.452 7.999 13.638 1.00 0.00 C ATOM 1458 OG1 THR A 90 -1.681 7.889 12.245 1.00 0.00 O ATOM 1459 CG2 THR A 90 -0.040 8.511 13.832 1.00 0.00 C ATOM 0 H THR A 90 -3.611 6.422 13.481 1.00 0.00 H new ATOM 0 HA THR A 90 -0.794 6.077 14.335 1.00 0.00 H new ATOM 0 HB THR A 90 -2.144 8.705 14.097 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.929 7.420 11.826 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.078 9.461 13.310 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.152 8.655 14.895 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.668 7.786 13.431 1.00 0.00 H new ATOM 1467 N LEU A 91 -1.504 6.189 16.707 1.00 0.00 N ATOM 1468 CA LEU A 91 -1.820 6.326 18.124 1.00 0.00 C ATOM 1469 C LEU A 91 -0.819 7.238 18.825 1.00 0.00 C ATOM 1470 O LEU A 91 0.392 7.100 18.650 1.00 0.00 O ATOM 1471 CB LEU A 91 -1.839 4.952 18.797 1.00 0.00 C ATOM 1472 CG LEU A 91 -3.201 4.251 18.802 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -3.106 2.889 18.130 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -3.724 4.109 20.224 1.00 0.00 C ATOM 0 H LEU A 91 -0.774 5.507 16.501 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.808 6.778 18.207 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.118 4.308 18.294 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.502 5.064 19.827 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.903 4.864 18.237 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.084 2.407 18.144 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.778 3.014 17.098 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.388 2.268 18.666 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.692 3.609 20.207 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.021 3.520 20.813 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.834 5.097 20.672 1.00 0.00 H new ATOM 1486 N ARG A 92 -1.334 8.170 19.622 1.00 0.00 N ATOM 1487 CA ARG A 92 -0.487 9.105 20.354 1.00 0.00 C ATOM 1488 C ARG A 92 0.000 8.486 21.661 1.00 0.00 C ATOM 1489 O ARG A 92 -0.450 8.859 22.744 1.00 0.00 O ATOM 1490 CB ARG A 92 -1.251 10.400 20.642 1.00 0.00 C ATOM 1491 CG ARG A 92 -0.347 11.607 20.839 1.00 0.00 C ATOM 1492 CD ARG A 92 -0.560 12.651 19.753 1.00 0.00 C ATOM 1493 NE ARG A 92 0.687 13.314 19.379 1.00 0.00 N ATOM 1494 CZ ARG A 92 1.262 14.272 20.102 1.00 0.00 C ATOM 1495 NH1 ARG A 92 0.707 14.683 21.235 1.00 0.00 N ATOM 1496 NH2 ARG A 92 2.397 14.821 19.690 1.00 0.00 N ATOM 0 H ARG A 92 -2.334 8.297 19.777 1.00 0.00 H new ATOM 0 HA ARG A 92 0.380 9.334 19.735 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -1.936 10.600 19.818 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.860 10.262 21.536 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -0.541 12.052 21.815 1.00 0.00 H new ATOM 0 HG3 ARG A 92 0.695 11.286 20.836 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -0.996 12.176 18.874 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.276 13.395 20.101 1.00 0.00 H new ATOM 0 HE ARG A 92 1.143 13.026 18.513 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -0.166 14.264 21.557 1.00 0.00 H new ATOM 0 HH12 ARG A 92 1.153 15.418 21.784 1.00 0.00 H new ATOM 0 HH21 ARG A 92 2.828 14.509 18.820 1.00 0.00 H new ATOM 0 HH22 ARG A 92 2.839 15.555 20.243 1.00 0.00 H new ATOM 1510 N GLY A 93 0.921 7.535 21.549 1.00 0.00 N ATOM 1511 CA GLY A 93 1.456 6.876 22.726 1.00 0.00 C ATOM 1512 C GLY A 93 2.232 5.621 22.382 1.00 0.00 C ATOM 1513 O GLY A 93 3.176 5.255 23.081 1.00 0.00 O ATOM 0 H GLY A 93 1.307 7.208 20.663 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.107 7.567 23.262 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.638 6.621 23.400 1.00 0.00 H new ATOM 1517 N VAL A 94 1.834 4.963 21.298 1.00 0.00 N ATOM 1518 CA VAL A 94 2.500 3.744 20.858 1.00 0.00 C ATOM 1519 C VAL A 94 3.178 3.951 19.507 1.00 0.00 C ATOM 1520 O VAL A 94 4.325 3.549 19.309 1.00 0.00 O ATOM 1521 CB VAL A 94 1.509 2.566 20.755 1.00 0.00 C ATOM 1522 CG1 VAL A 94 0.426 2.861 19.728 1.00 0.00 C ATOM 1523 CG2 VAL A 94 2.244 1.278 20.413 1.00 0.00 C ATOM 0 H VAL A 94 1.054 5.254 20.709 1.00 0.00 H new ATOM 0 HA VAL A 94 3.254 3.504 21.607 1.00 0.00 H new ATOM 0 HB VAL A 94 1.028 2.437 21.724 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.262 2.017 19.672 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.121 3.756 20.023 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.884 3.021 18.752 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.529 0.458 20.345 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.756 1.394 19.458 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.974 1.058 21.192 1.00 0.00 H new ATOM 1533 N GLY A 95 2.463 4.582 18.581 1.00 0.00 N ATOM 1534 CA GLY A 95 3.014 4.832 17.264 1.00 0.00 C ATOM 1535 C GLY A 95 2.063 4.444 16.151 1.00 0.00 C ATOM 1536 O GLY A 95 0.848 4.586 16.285 1.00 0.00 O ATOM 0 H GLY A 95 1.512 4.924 18.720 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.262 5.890 17.173 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.945 4.276 17.152 1.00 0.00 H new ATOM 1540 N TYR A 96 2.619 3.956 15.048 1.00 0.00 N ATOM 1541 CA TYR A 96 1.816 3.548 13.903 1.00 0.00 C ATOM 1542 C TYR A 96 1.316 2.116 14.068 1.00 0.00 C ATOM 1543 O TYR A 96 2.102 1.194 14.286 1.00 0.00 O ATOM 1544 CB TYR A 96 2.637 3.672 12.616 1.00 0.00 C ATOM 1545 CG TYR A 96 2.311 4.906 11.805 1.00 0.00 C ATOM 1546 CD1 TYR A 96 1.016 5.153 11.366 1.00 0.00 C ATOM 1547 CD2 TYR A 96 3.300 5.825 11.478 1.00 0.00 C ATOM 1548 CE1 TYR A 96 0.717 6.280 10.625 1.00 0.00 C ATOM 1549 CE2 TYR A 96 3.009 6.955 10.737 1.00 0.00 C ATOM 1550 CZ TYR A 96 1.716 7.178 10.313 1.00 0.00 C ATOM 1551 OH TYR A 96 1.422 8.301 9.576 1.00 0.00 O ATOM 0 H TYR A 96 3.624 3.833 14.923 1.00 0.00 H new ATOM 0 HA TYR A 96 0.950 4.207 13.842 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.697 3.685 12.871 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.468 2.788 12.001 1.00 0.00 H new ATOM 0 HD1 TYR A 96 0.230 4.453 11.608 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.314 5.654 11.808 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -0.295 6.457 10.291 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.790 7.659 10.491 1.00 0.00 H new ATOM 0 HH TYR A 96 1.578 9.100 10.121 1.00 0.00 H new ATOM 1561 N LEU A 97 0.004 1.937 13.960 1.00 0.00 N ATOM 1562 CA LEU A 97 -0.603 0.617 14.093 1.00 0.00 C ATOM 1563 C LEU A 97 -1.568 0.351 12.944 1.00 0.00 C ATOM 1564 O LEU A 97 -2.786 0.400 13.116 1.00 0.00 O ATOM 1565 CB LEU A 97 -1.336 0.501 15.433 1.00 0.00 C ATOM 1566 CG LEU A 97 -1.649 -0.929 15.884 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -2.781 -1.516 15.056 1.00 0.00 C ATOM 1568 CD2 LEU A 97 -0.408 -1.806 15.791 1.00 0.00 C ATOM 0 H LEU A 97 -0.660 2.690 13.781 1.00 0.00 H new ATOM 0 HA LEU A 97 0.191 -0.129 14.059 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.733 0.983 16.202 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.271 1.057 15.367 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.967 -0.896 16.926 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.988 -2.532 15.392 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.675 -0.904 15.177 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.492 -1.533 14.005 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.652 -2.817 16.116 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.057 -1.831 14.759 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.374 -1.398 16.431 1.00 0.00 H new ATOM 1580 N PHE A 98 -1.015 0.076 11.768 1.00 0.00 N ATOM 1581 CA PHE A 98 -1.828 -0.191 10.587 1.00 0.00 C ATOM 1582 C PHE A 98 -2.523 -1.545 10.696 1.00 0.00 C ATOM 1583 O PHE A 98 -2.060 -2.541 10.143 1.00 0.00 O ATOM 1584 CB PHE A 98 -0.973 -0.132 9.316 1.00 0.00 C ATOM 1585 CG PHE A 98 0.254 -1.003 9.354 1.00 0.00 C ATOM 1586 CD1 PHE A 98 1.435 -0.537 9.909 1.00 0.00 C ATOM 1587 CD2 PHE A 98 0.227 -2.285 8.827 1.00 0.00 C ATOM 1588 CE1 PHE A 98 2.565 -1.332 9.939 1.00 0.00 C ATOM 1589 CE2 PHE A 98 1.354 -3.084 8.855 1.00 0.00 C ATOM 1590 CZ PHE A 98 2.524 -2.608 9.412 1.00 0.00 C ATOM 0 H PHE A 98 -0.009 0.032 11.607 1.00 0.00 H new ATOM 0 HA PHE A 98 -2.594 0.582 10.527 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.587 -0.427 8.465 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.667 0.900 9.146 1.00 0.00 H new ATOM 0 HD1 PHE A 98 1.473 0.460 10.323 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.685 -2.663 8.390 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.479 -0.956 10.374 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.320 -4.081 8.441 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.405 -3.232 9.436 1.00 0.00 H new ATOM 1600 N SER A 99 -3.640 -1.573 11.412 1.00 0.00 N ATOM 1601 CA SER A 99 -4.401 -2.805 11.592 1.00 0.00 C ATOM 1602 C SER A 99 -5.014 -3.262 10.271 1.00 0.00 C ATOM 1603 O SER A 99 -6.119 -2.854 9.915 1.00 0.00 O ATOM 1604 CB SER A 99 -5.500 -2.605 12.640 1.00 0.00 C ATOM 1605 OG SER A 99 -5.489 -1.283 13.151 1.00 0.00 O ATOM 0 H SER A 99 -4.040 -0.758 11.877 1.00 0.00 H new ATOM 0 HA SER A 99 -3.717 -3.578 11.941 1.00 0.00 H new ATOM 0 HB2 SER A 99 -6.472 -2.817 12.196 1.00 0.00 H new ATOM 0 HB3 SER A 99 -5.361 -3.314 13.456 1.00 0.00 H new ATOM 0 HG SER A 99 -6.202 -1.184 13.816 1.00 0.00 H new