USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 568 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 67 CYS SG : rot 142:sc= 2.32 USER MOD Set 1.2: A 70 CYS SG : rot -42:sc= 1.44 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.822 K(o=4.7,f=-2.2) USER MOD Set 1.4: A 88 HIS : no HD1:sc= 0.161 K(o=4.7,f=-2.4) USER MOD Set 2.1: A 40 CYS SG : rot 132:sc= 2.14 USER MOD Set 2.2: A 43 CYS SG : rot -40:sc= 1.17 USER MOD Set 2.3: A 56 HIS : no HE2:sc= 0.425 K(o=4,f=-2.3) USER MOD Set 2.4: A 60 HIS : no HD1:sc= 0.3 K(o=4,f=-2.1) USER MOD Set 3.1: A 45 TYR OH : rot 130:sc= 0.307 USER MOD Set 3.2: A 47 SER OG : rot -142:sc= 2.33 USER MOD Set 3.3: A 52 ASN : amide:sc= 1.12 K(o=3.8,f=2.3) USER MOD Set 4.1: A 22 LYS NZ :NH3+ 180:sc= 1.03 (180deg=0) USER MOD Set 4.2: A 26 GLN : amide:sc= 0.898 K(o=1.9,f=-4.3!) USER MOD Set 5.1: A 12 CYS SG : rot 151:sc= 2.11 USER MOD Set 5.2: A 15 CYS SG : rot -42:sc= 2.19 USER MOD Set 5.3: A 17 LYS NZ :NH3+ 167:sc= 1.36 (180deg=-0.222) USER MOD Set 5.4: A 28 HIS : no HE2:sc= -0.0662 K(o=5.6,f=2.2) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0952 K(o=-0.095,f=-0.82) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.0515 X(o=-0.051,f=-0.013) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= 0.775 (180deg=0.564) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 101:sc= 0.183 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0167 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= 0.314 K(o=0.31,f=-2.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N PHE A 10 1.738 4.743 -27.440 1.00 0.00 N ATOM 110 CA PHE A 10 2.849 4.439 -26.527 1.00 0.00 C ATOM 111 C PHE A 10 3.304 2.976 -26.683 1.00 0.00 C ATOM 112 O PHE A 10 2.467 2.093 -26.874 1.00 0.00 O ATOM 113 CB PHE A 10 2.401 4.731 -25.084 1.00 0.00 C ATOM 114 CG PHE A 10 1.996 6.170 -24.817 1.00 0.00 C ATOM 115 CD1 PHE A 10 0.676 6.591 -25.069 1.00 0.00 C ATOM 116 CD2 PHE A 10 2.935 7.088 -24.312 1.00 0.00 C ATOM 117 CE1 PHE A 10 0.296 7.921 -24.816 1.00 0.00 C ATOM 118 CE2 PHE A 10 2.558 8.419 -24.060 1.00 0.00 C ATOM 119 CZ PHE A 10 1.239 8.836 -24.313 1.00 0.00 C ATOM 0 HA PHE A 10 3.704 5.069 -26.772 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.560 4.082 -24.842 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.213 4.466 -24.407 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.047 5.890 -25.458 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.948 6.769 -24.117 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.718 8.240 -25.007 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.281 9.121 -23.672 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.950 9.859 -24.121 1.00 0.00 H new ATOM 129 N THR A 11 4.610 2.693 -26.587 1.00 0.00 N ATOM 130 CA THR A 11 5.187 1.367 -26.884 1.00 0.00 C ATOM 131 C THR A 11 6.224 0.932 -25.840 1.00 0.00 C ATOM 132 O THR A 11 7.081 1.727 -25.442 1.00 0.00 O ATOM 133 CB THR A 11 5.821 1.371 -28.289 1.00 0.00 C ATOM 134 OG1 THR A 11 4.906 1.858 -29.253 1.00 0.00 O ATOM 135 CG2 THR A 11 6.238 -0.019 -28.754 1.00 0.00 C ATOM 0 H THR A 11 5.305 3.381 -26.299 1.00 0.00 H new ATOM 0 HA THR A 11 4.372 0.644 -26.849 1.00 0.00 H new ATOM 0 HB THR A 11 6.700 2.011 -28.205 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.329 1.854 -30.137 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.678 0.047 -29.749 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.971 -0.430 -28.060 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.364 -0.669 -28.786 1.00 0.00 H new ATOM 143 N CYS A 12 6.175 -0.338 -25.421 1.00 0.00 N ATOM 144 CA CYS A 12 7.131 -0.968 -24.507 1.00 0.00 C ATOM 145 C CYS A 12 8.494 -1.209 -25.181 1.00 0.00 C ATOM 146 O CYS A 12 8.578 -1.762 -26.281 1.00 0.00 O ATOM 147 CB CYS A 12 6.498 -2.261 -23.976 1.00 0.00 C ATOM 148 SG CYS A 12 7.633 -3.107 -22.835 1.00 0.00 S ATOM 0 H CYS A 12 5.440 -0.978 -25.722 1.00 0.00 H new ATOM 0 HA CYS A 12 7.341 -0.302 -23.670 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.563 -2.031 -23.464 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.252 -2.920 -24.808 1.00 0.00 H new ATOM 0 HG CYS A 12 6.947 -3.783 -21.962 1.00 0.00 H new ATOM 153 N GLU A 13 9.574 -0.819 -24.503 1.00 0.00 N ATOM 154 CA GLU A 13 10.954 -1.009 -24.975 1.00 0.00 C ATOM 155 C GLU A 13 11.517 -2.419 -24.696 1.00 0.00 C ATOM 156 O GLU A 13 12.585 -2.763 -25.210 1.00 0.00 O ATOM 157 CB GLU A 13 11.858 0.103 -24.414 1.00 0.00 C ATOM 158 CG GLU A 13 12.076 0.030 -22.895 1.00 0.00 C ATOM 159 CD GLU A 13 12.962 1.198 -22.418 1.00 0.00 C ATOM 160 OE1 GLU A 13 14.211 1.095 -22.502 1.00 0.00 O ATOM 161 OE2 GLU A 13 12.418 2.236 -21.966 1.00 0.00 O ATOM 0 H GLU A 13 9.518 -0.355 -23.596 1.00 0.00 H new ATOM 0 HA GLU A 13 10.937 -0.932 -26.062 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.827 0.054 -24.912 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.421 1.071 -24.661 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.115 0.062 -22.382 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.544 -0.919 -22.634 1.00 0.00 H new ATOM 168 N TYR A 14 10.811 -3.238 -23.906 1.00 0.00 N ATOM 169 CA TYR A 14 11.266 -4.569 -23.475 1.00 0.00 C ATOM 170 C TYR A 14 10.559 -5.731 -24.196 1.00 0.00 C ATOM 171 O TYR A 14 11.187 -6.773 -24.409 1.00 0.00 O ATOM 172 CB TYR A 14 11.077 -4.701 -21.960 1.00 0.00 C ATOM 173 CG TYR A 14 11.853 -3.717 -21.102 1.00 0.00 C ATOM 174 CD1 TYR A 14 13.201 -3.975 -20.783 1.00 0.00 C ATOM 175 CD2 TYR A 14 11.215 -2.572 -20.584 1.00 0.00 C ATOM 176 CE1 TYR A 14 13.911 -3.094 -19.944 1.00 0.00 C ATOM 177 CE2 TYR A 14 11.921 -1.691 -19.741 1.00 0.00 C ATOM 178 CZ TYR A 14 13.271 -1.950 -19.419 1.00 0.00 C ATOM 179 OH TYR A 14 13.944 -1.097 -18.598 1.00 0.00 O ATOM 0 H TYR A 14 9.891 -2.991 -23.541 1.00 0.00 H new ATOM 0 HA TYR A 14 12.320 -4.644 -23.744 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.016 -4.590 -21.736 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.361 -5.711 -21.665 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.691 -4.850 -21.183 1.00 0.00 H new ATOM 0 HD2 TYR A 14 10.184 -2.370 -20.833 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.945 -3.293 -19.702 1.00 0.00 H new ATOM 0 HE2 TYR A 14 11.429 -0.817 -19.341 1.00 0.00 H new ATOM 0 HH TYR A 14 13.351 -0.364 -18.331 1.00 0.00 H new ATOM 189 N CYS A 15 9.281 -5.571 -24.575 1.00 0.00 N ATOM 190 CA CYS A 15 8.476 -6.607 -25.251 1.00 0.00 C ATOM 191 C CYS A 15 7.682 -6.122 -26.491 1.00 0.00 C ATOM 192 O CYS A 15 6.913 -6.891 -27.077 1.00 0.00 O ATOM 193 CB CYS A 15 7.623 -7.363 -24.218 1.00 0.00 C ATOM 194 SG CYS A 15 6.313 -6.343 -23.511 1.00 0.00 S ATOM 0 H CYS A 15 8.767 -4.704 -24.419 1.00 0.00 H new ATOM 0 HA CYS A 15 9.178 -7.312 -25.695 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.180 -8.239 -24.691 1.00 0.00 H new ATOM 0 HB3 CYS A 15 8.267 -7.725 -23.417 1.00 0.00 H new ATOM 0 HG CYS A 15 6.777 -5.156 -23.256 1.00 0.00 H new ATOM 199 N ASN A 16 7.897 -4.872 -26.926 1.00 0.00 N ATOM 200 CA ASN A 16 7.314 -4.257 -28.130 1.00 0.00 C ATOM 201 C ASN A 16 5.764 -4.222 -28.181 1.00 0.00 C ATOM 202 O ASN A 16 5.170 -4.051 -29.251 1.00 0.00 O ATOM 203 CB ASN A 16 7.988 -4.857 -29.384 1.00 0.00 C ATOM 204 CG ASN A 16 7.836 -4.009 -30.639 1.00 0.00 C ATOM 205 OD1 ASN A 16 7.741 -2.789 -30.607 1.00 0.00 O ATOM 206 ND2 ASN A 16 7.858 -4.622 -31.802 1.00 0.00 N ATOM 0 H ASN A 16 8.511 -4.231 -26.425 1.00 0.00 H new ATOM 0 HA ASN A 16 7.541 -3.192 -28.094 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.050 -4.998 -29.180 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.566 -5.844 -29.573 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.796 -4.081 -32.665 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.937 -5.638 -31.841 1.00 0.00 H new ATOM 213 N LYS A 17 5.093 -4.364 -27.029 1.00 0.00 N ATOM 214 CA LYS A 17 3.641 -4.156 -26.877 1.00 0.00 C ATOM 215 C LYS A 17 3.266 -2.685 -27.041 1.00 0.00 C ATOM 216 O LYS A 17 4.052 -1.793 -26.719 1.00 0.00 O ATOM 217 CB LYS A 17 3.172 -4.656 -25.509 1.00 0.00 C ATOM 218 CG LYS A 17 3.128 -6.182 -25.428 1.00 0.00 C ATOM 219 CD LYS A 17 2.744 -6.574 -23.996 1.00 0.00 C ATOM 220 CE LYS A 17 2.866 -8.069 -23.700 1.00 0.00 C ATOM 221 NZ LYS A 17 4.234 -8.589 -23.975 1.00 0.00 N ATOM 0 H LYS A 17 5.551 -4.632 -26.158 1.00 0.00 H new ATOM 0 HA LYS A 17 3.144 -4.725 -27.662 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.840 -4.273 -24.737 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.180 -4.255 -25.300 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.403 -6.580 -26.138 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.098 -6.605 -25.691 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.377 -6.024 -23.299 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.717 -6.261 -23.809 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.613 -8.252 -22.656 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.143 -8.617 -24.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.335 -9.537 -23.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.385 -8.643 -25.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.939 -7.950 -23.555 1.00 0.00 H new ATOM 235 N VAL A 18 2.042 -2.449 -27.502 1.00 0.00 N ATOM 236 CA VAL A 18 1.506 -1.121 -27.846 1.00 0.00 C ATOM 237 C VAL A 18 0.280 -0.786 -26.987 1.00 0.00 C ATOM 238 O VAL A 18 -0.591 -1.633 -26.774 1.00 0.00 O ATOM 239 CB VAL A 18 1.200 -1.038 -29.356 1.00 0.00 C ATOM 240 CG1 VAL A 18 0.698 0.350 -29.753 1.00 0.00 C ATOM 241 CG2 VAL A 18 2.449 -1.319 -30.204 1.00 0.00 C ATOM 0 H VAL A 18 1.366 -3.198 -27.654 1.00 0.00 H new ATOM 0 HA VAL A 18 2.263 -0.369 -27.625 1.00 0.00 H new ATOM 0 HB VAL A 18 0.434 -1.791 -29.543 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.493 0.370 -30.823 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.216 0.577 -29.204 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.458 1.094 -29.515 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.194 -1.251 -31.261 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.221 -0.586 -29.969 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.821 -2.320 -29.984 1.00 0.00 H new ATOM 251 N PHE A 19 0.215 0.456 -26.499 1.00 0.00 N ATOM 252 CA PHE A 19 -0.767 0.967 -25.536 1.00 0.00 C ATOM 253 C PHE A 19 -1.329 2.331 -25.975 1.00 0.00 C ATOM 254 O PHE A 19 -0.632 3.142 -26.596 1.00 0.00 O ATOM 255 CB PHE A 19 -0.114 1.059 -24.141 1.00 0.00 C ATOM 256 CG PHE A 19 0.447 -0.258 -23.630 1.00 0.00 C ATOM 257 CD1 PHE A 19 -0.376 -1.159 -22.926 1.00 0.00 C ATOM 258 CD2 PHE A 19 1.782 -0.612 -23.907 1.00 0.00 C ATOM 259 CE1 PHE A 19 0.117 -2.422 -22.547 1.00 0.00 C ATOM 260 CE2 PHE A 19 2.277 -1.871 -23.523 1.00 0.00 C ATOM 261 CZ PHE A 19 1.440 -2.788 -22.862 1.00 0.00 C ATOM 0 H PHE A 19 0.884 1.173 -26.781 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.609 0.276 -25.493 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.689 1.795 -24.176 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.853 1.427 -23.429 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.389 -0.880 -22.676 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.429 0.087 -24.417 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.521 -3.112 -22.014 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.302 -2.134 -23.736 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.810 -3.768 -22.597 1.00 0.00 H new ATOM 271 N LYS A 20 -2.594 2.602 -25.628 1.00 0.00 N ATOM 272 CA LYS A 20 -3.310 3.842 -25.995 1.00 0.00 C ATOM 273 C LYS A 20 -2.929 5.057 -25.141 1.00 0.00 C ATOM 274 O LYS A 20 -3.112 6.192 -25.581 1.00 0.00 O ATOM 275 CB LYS A 20 -4.827 3.628 -25.860 1.00 0.00 C ATOM 276 CG LYS A 20 -5.406 2.502 -26.724 1.00 0.00 C ATOM 277 CD LYS A 20 -6.935 2.482 -26.573 1.00 0.00 C ATOM 278 CE LYS A 20 -7.501 1.199 -27.182 1.00 0.00 C ATOM 279 NZ LYS A 20 -8.987 1.183 -27.151 1.00 0.00 N ATOM 0 H LYS A 20 -3.162 1.959 -25.076 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.018 4.056 -27.023 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.057 3.418 -24.815 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.333 4.558 -26.117 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.134 2.653 -27.769 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.986 1.543 -26.421 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.206 2.545 -25.519 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.369 3.352 -27.066 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.158 1.103 -28.212 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.117 0.337 -26.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.334 0.298 -27.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.314 1.249 -26.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.354 1.991 -27.693 1.00 0.00 H new ATOM 293 N PHE A 21 -2.436 4.828 -23.921 1.00 0.00 N ATOM 294 CA PHE A 21 -2.236 5.864 -22.901 1.00 0.00 C ATOM 295 C PHE A 21 -0.906 5.700 -22.151 1.00 0.00 C ATOM 296 O PHE A 21 -0.410 4.584 -21.965 1.00 0.00 O ATOM 297 CB PHE A 21 -3.416 5.845 -21.913 1.00 0.00 C ATOM 298 CG PHE A 21 -4.802 5.847 -22.544 1.00 0.00 C ATOM 299 CD1 PHE A 21 -5.288 7.006 -23.177 1.00 0.00 C ATOM 300 CD2 PHE A 21 -5.601 4.684 -22.516 1.00 0.00 C ATOM 301 CE1 PHE A 21 -6.557 7.002 -23.788 1.00 0.00 C ATOM 302 CE2 PHE A 21 -6.873 4.684 -23.116 1.00 0.00 C ATOM 303 CZ PHE A 21 -7.348 5.839 -23.759 1.00 0.00 C ATOM 0 H PHE A 21 -2.159 3.898 -23.607 1.00 0.00 H new ATOM 0 HA PHE A 21 -2.193 6.827 -23.409 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.325 4.961 -21.283 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.333 6.713 -21.259 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.686 7.902 -23.194 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.234 3.791 -22.032 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.923 7.892 -24.279 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.485 3.795 -23.082 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.320 5.834 -24.231 1.00 0.00 H new ATOM 313 N LYS A 22 -0.356 6.820 -21.666 1.00 0.00 N ATOM 314 CA LYS A 22 0.926 6.875 -20.944 1.00 0.00 C ATOM 315 C LYS A 22 0.903 6.052 -19.654 1.00 0.00 C ATOM 316 O LYS A 22 1.809 5.257 -19.414 1.00 0.00 O ATOM 317 CB LYS A 22 1.272 8.351 -20.678 1.00 0.00 C ATOM 318 CG LYS A 22 2.670 8.530 -20.074 1.00 0.00 C ATOM 319 CD LYS A 22 3.060 10.016 -20.060 1.00 0.00 C ATOM 320 CE LYS A 22 4.435 10.244 -19.421 1.00 0.00 C ATOM 321 NZ LYS A 22 4.391 10.143 -17.937 1.00 0.00 N ATOM 0 H LYS A 22 -0.797 7.734 -21.765 1.00 0.00 H new ATOM 0 HA LYS A 22 1.703 6.424 -21.561 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.210 8.909 -21.612 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.531 8.778 -20.002 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.688 8.133 -19.059 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.399 7.961 -20.652 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.067 10.398 -21.081 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.307 10.583 -19.512 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.141 9.512 -19.812 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.807 11.228 -19.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.343 10.304 -17.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.738 10.859 -17.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.062 9.195 -17.663 1.00 0.00 H new ATOM 335 N HIS A 23 -0.159 6.185 -18.858 1.00 0.00 N ATOM 336 CA HIS A 23 -0.324 5.442 -17.604 1.00 0.00 C ATOM 337 C HIS A 23 -0.494 3.929 -17.831 1.00 0.00 C ATOM 338 O HIS A 23 0.015 3.134 -17.040 1.00 0.00 O ATOM 339 CB HIS A 23 -1.495 6.030 -16.800 1.00 0.00 C ATOM 340 CG HIS A 23 -2.844 5.897 -17.465 1.00 0.00 C ATOM 341 ND1 HIS A 23 -3.707 4.827 -17.367 1.00 0.00 N ATOM 342 CD2 HIS A 23 -3.441 6.816 -18.287 1.00 0.00 C ATOM 343 CE1 HIS A 23 -4.791 5.090 -18.118 1.00 0.00 C ATOM 344 NE2 HIS A 23 -4.678 6.299 -18.694 1.00 0.00 N ATOM 0 H HIS A 23 -0.934 6.815 -19.065 1.00 0.00 H new ATOM 0 HA HIS A 23 0.593 5.555 -17.025 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -1.534 5.539 -15.828 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -1.298 7.086 -16.616 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.030 7.773 -18.572 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.633 4.424 -18.241 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.358 6.751 -19.306 1.00 0.00 H new ATOM 352 N SER A 24 -1.134 3.517 -18.932 1.00 0.00 N ATOM 353 CA SER A 24 -1.255 2.101 -19.321 1.00 0.00 C ATOM 354 C SER A 24 0.114 1.476 -19.614 1.00 0.00 C ATOM 355 O SER A 24 0.404 0.386 -19.115 1.00 0.00 O ATOM 356 CB SER A 24 -2.168 1.941 -20.542 1.00 0.00 C ATOM 357 OG SER A 24 -3.459 2.466 -20.280 1.00 0.00 O ATOM 0 H SER A 24 -1.586 4.158 -19.584 1.00 0.00 H new ATOM 0 HA SER A 24 -1.699 1.576 -18.475 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.730 2.453 -21.399 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.247 0.887 -20.807 1.00 0.00 H new ATOM 0 HG SER A 24 -4.024 2.355 -21.073 1.00 0.00 H new ATOM 363 N LEU A 25 0.993 2.185 -20.336 1.00 0.00 N ATOM 364 CA LEU A 25 2.384 1.758 -20.516 1.00 0.00 C ATOM 365 C LEU A 25 3.163 1.784 -19.189 1.00 0.00 C ATOM 366 O LEU A 25 3.842 0.810 -18.878 1.00 0.00 O ATOM 367 CB LEU A 25 3.066 2.599 -21.615 1.00 0.00 C ATOM 368 CG LEU A 25 4.564 2.269 -21.792 1.00 0.00 C ATOM 369 CD1 LEU A 25 4.816 0.816 -22.197 1.00 0.00 C ATOM 370 CD2 LEU A 25 5.195 3.154 -22.861 1.00 0.00 C ATOM 0 H LEU A 25 0.762 3.060 -20.806 1.00 0.00 H new ATOM 0 HA LEU A 25 2.385 0.720 -20.848 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.550 2.435 -22.561 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.960 3.656 -21.373 1.00 0.00 H new ATOM 0 HG LEU A 25 5.013 2.448 -20.815 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.888 0.649 -22.305 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.421 0.151 -21.430 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.319 0.611 -23.145 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.250 2.901 -22.966 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.687 2.994 -23.812 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.100 4.200 -22.570 1.00 0.00 H new ATOM 382 N GLN A 26 3.054 2.840 -18.377 1.00 0.00 N ATOM 383 CA GLN A 26 3.766 2.927 -17.090 1.00 0.00 C ATOM 384 C GLN A 26 3.413 1.778 -16.132 1.00 0.00 C ATOM 385 O GLN A 26 4.302 1.216 -15.489 1.00 0.00 O ATOM 386 CB GLN A 26 3.484 4.277 -16.408 1.00 0.00 C ATOM 387 CG GLN A 26 4.289 5.425 -17.037 1.00 0.00 C ATOM 388 CD GLN A 26 4.168 6.727 -16.248 1.00 0.00 C ATOM 389 OE1 GLN A 26 3.592 7.710 -16.695 1.00 0.00 O ATOM 390 NE2 GLN A 26 4.725 6.807 -15.057 1.00 0.00 N ATOM 0 H GLN A 26 2.476 3.654 -18.587 1.00 0.00 H new ATOM 0 HA GLN A 26 4.828 2.843 -17.319 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.420 4.502 -16.477 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.726 4.204 -15.348 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.339 5.137 -17.098 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.944 5.589 -18.058 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.210 6.000 -14.666 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.671 7.676 -14.526 1.00 0.00 H new ATOM 399 N ALA A 27 2.139 1.387 -16.065 1.00 0.00 N ATOM 400 CA ALA A 27 1.694 0.247 -15.266 1.00 0.00 C ATOM 401 C ALA A 27 2.138 -1.102 -15.860 1.00 0.00 C ATOM 402 O ALA A 27 2.489 -2.014 -15.110 1.00 0.00 O ATOM 403 CB ALA A 27 0.176 0.335 -15.129 1.00 0.00 C ATOM 0 H ALA A 27 1.384 1.856 -16.566 1.00 0.00 H new ATOM 0 HA ALA A 27 2.162 0.292 -14.283 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.185 -0.505 -14.536 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.091 1.269 -14.635 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.281 0.304 -16.118 1.00 0.00 H new ATOM 409 N HIS A 28 2.194 -1.222 -17.194 1.00 0.00 N ATOM 410 CA HIS A 28 2.747 -2.402 -17.865 1.00 0.00 C ATOM 411 C HIS A 28 4.252 -2.568 -17.589 1.00 0.00 C ATOM 412 O HIS A 28 4.702 -3.670 -17.270 1.00 0.00 O ATOM 413 CB HIS A 28 2.474 -2.326 -19.376 1.00 0.00 C ATOM 414 CG HIS A 28 3.259 -3.367 -20.131 1.00 0.00 C ATOM 415 ND1 HIS A 28 3.027 -4.720 -20.110 1.00 0.00 N ATOM 416 CD2 HIS A 28 4.440 -3.165 -20.793 1.00 0.00 C ATOM 417 CE1 HIS A 28 4.044 -5.330 -20.730 1.00 0.00 C ATOM 418 NE2 HIS A 28 4.950 -4.424 -21.174 1.00 0.00 N ATOM 0 H HIS A 28 1.857 -0.504 -17.835 1.00 0.00 H new ATOM 0 HA HIS A 28 2.249 -3.282 -17.458 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.409 -2.466 -19.562 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.734 -1.334 -19.745 1.00 0.00 H new ATOM 0 HD1 HIS A 28 2.218 -5.181 -19.693 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.901 -2.208 -20.989 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.131 -6.399 -20.859 1.00 0.00 H new ATOM 426 N LEU A 29 5.033 -1.483 -17.677 1.00 0.00 N ATOM 427 CA LEU A 29 6.493 -1.502 -17.537 1.00 0.00 C ATOM 428 C LEU A 29 6.968 -2.109 -16.207 1.00 0.00 C ATOM 429 O LEU A 29 8.051 -2.692 -16.178 1.00 0.00 O ATOM 430 CB LEU A 29 7.057 -0.078 -17.721 1.00 0.00 C ATOM 431 CG LEU A 29 7.123 0.410 -19.182 1.00 0.00 C ATOM 432 CD1 LEU A 29 7.479 1.897 -19.212 1.00 0.00 C ATOM 433 CD2 LEU A 29 8.174 -0.337 -20.005 1.00 0.00 C ATOM 0 H LEU A 29 4.659 -0.550 -17.851 1.00 0.00 H new ATOM 0 HA LEU A 29 6.879 -2.154 -18.321 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.443 0.617 -17.148 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.060 -0.042 -17.296 1.00 0.00 H new ATOM 0 HG LEU A 29 6.142 0.223 -19.618 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.525 2.239 -20.246 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.718 2.464 -18.675 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.448 2.049 -18.736 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.177 0.047 -21.025 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.158 -0.190 -19.559 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.937 -1.401 -20.018 1.00 0.00 H new ATOM 445 N ARG A 30 6.140 -2.073 -15.150 1.00 0.00 N ATOM 446 CA ARG A 30 6.433 -2.674 -13.834 1.00 0.00 C ATOM 447 C ARG A 30 6.884 -4.136 -13.904 1.00 0.00 C ATOM 448 O ARG A 30 7.726 -4.535 -13.101 1.00 0.00 O ATOM 449 CB ARG A 30 5.196 -2.561 -12.924 1.00 0.00 C ATOM 450 CG ARG A 30 4.886 -1.108 -12.528 1.00 0.00 C ATOM 451 CD ARG A 30 3.569 -0.988 -11.749 1.00 0.00 C ATOM 452 NE ARG A 30 3.556 -1.798 -10.514 1.00 0.00 N ATOM 453 CZ ARG A 30 4.036 -1.488 -9.325 1.00 0.00 C ATOM 454 NH1 ARG A 30 4.679 -0.379 -9.088 1.00 0.00 N ATOM 455 NH2 ARG A 30 3.868 -2.323 -8.344 1.00 0.00 N ATOM 0 H ARG A 30 5.229 -1.616 -15.185 1.00 0.00 H new ATOM 0 HA ARG A 30 7.272 -2.112 -13.423 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.333 -2.987 -13.436 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.357 -3.153 -12.023 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.702 -0.717 -11.921 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.833 -0.492 -13.426 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.398 0.058 -11.493 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.744 -1.299 -12.390 1.00 0.00 H new ATOM 0 HE ARG A 30 3.119 -2.717 -10.590 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.830 0.294 -9.840 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.031 -0.184 -8.151 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.372 -3.201 -8.500 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.232 -2.101 -7.417 1.00 0.00 H new ATOM 469 N ILE A 31 6.400 -4.933 -14.863 1.00 0.00 N ATOM 470 CA ILE A 31 6.818 -6.340 -15.002 1.00 0.00 C ATOM 471 C ILE A 31 8.296 -6.483 -15.403 1.00 0.00 C ATOM 472 O ILE A 31 8.948 -7.457 -15.022 1.00 0.00 O ATOM 473 CB ILE A 31 5.879 -7.143 -15.926 1.00 0.00 C ATOM 474 CG1 ILE A 31 6.107 -6.875 -17.430 1.00 0.00 C ATOM 475 CG2 ILE A 31 4.411 -6.955 -15.496 1.00 0.00 C ATOM 476 CD1 ILE A 31 5.216 -7.730 -18.334 1.00 0.00 C ATOM 0 H ILE A 31 5.717 -4.631 -15.558 1.00 0.00 H new ATOM 0 HA ILE A 31 6.729 -6.782 -14.010 1.00 0.00 H new ATOM 0 HB ILE A 31 6.132 -8.196 -15.802 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.920 -5.821 -17.638 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.152 -7.067 -17.673 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.762 -7.528 -16.158 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.284 -7.305 -14.471 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.147 -5.899 -15.554 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.424 -7.495 -19.378 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.420 -8.785 -18.152 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.169 -7.520 -18.117 1.00 0.00 H new ATOM 570 N PRO A 37 10.624 -10.589 -8.064 1.00 0.00 N ATOM 571 CA PRO A 37 10.514 -11.647 -9.068 1.00 0.00 C ATOM 572 C PRO A 37 9.070 -12.030 -9.413 1.00 0.00 C ATOM 573 O PRO A 37 8.767 -12.283 -10.581 1.00 0.00 O ATOM 574 CB PRO A 37 11.262 -12.844 -8.470 1.00 0.00 C ATOM 575 CG PRO A 37 11.160 -12.630 -6.959 1.00 0.00 C ATOM 576 CD PRO A 37 11.202 -11.110 -6.835 1.00 0.00 C ATOM 0 HA PRO A 37 10.935 -11.306 -10.014 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.808 -13.788 -8.770 1.00 0.00 H new ATOM 0 HB3 PRO A 37 12.301 -12.870 -8.800 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.238 -13.045 -6.552 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.985 -13.103 -6.426 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.637 -10.774 -5.966 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.225 -10.758 -6.706 1.00 0.00 H new ATOM 584 N TYR A 38 8.175 -12.070 -8.423 1.00 0.00 N ATOM 585 CA TYR A 38 6.835 -12.641 -8.572 1.00 0.00 C ATOM 586 C TYR A 38 5.771 -11.556 -8.784 1.00 0.00 C ATOM 587 O TYR A 38 5.096 -11.127 -7.845 1.00 0.00 O ATOM 588 CB TYR A 38 6.532 -13.577 -7.388 1.00 0.00 C ATOM 589 CG TYR A 38 7.645 -14.536 -7.010 1.00 0.00 C ATOM 590 CD1 TYR A 38 8.261 -15.342 -7.989 1.00 0.00 C ATOM 591 CD2 TYR A 38 8.059 -14.624 -5.667 1.00 0.00 C ATOM 592 CE1 TYR A 38 9.307 -16.214 -7.629 1.00 0.00 C ATOM 593 CE2 TYR A 38 9.089 -15.510 -5.301 1.00 0.00 C ATOM 594 CZ TYR A 38 9.731 -16.293 -6.283 1.00 0.00 C ATOM 595 OH TYR A 38 10.734 -17.139 -5.923 1.00 0.00 O ATOM 0 H TYR A 38 8.361 -11.704 -7.489 1.00 0.00 H new ATOM 0 HA TYR A 38 6.804 -13.246 -9.478 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.291 -12.967 -6.518 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.641 -14.158 -7.626 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.931 -15.291 -9.016 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.585 -14.010 -4.916 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.785 -16.823 -8.382 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.389 -15.591 -4.266 1.00 0.00 H new ATOM 0 HH TYR A 38 10.896 -17.063 -4.959 1.00 0.00 H new ATOM 605 N LYS A 39 5.615 -11.094 -10.029 1.00 0.00 N ATOM 606 CA LYS A 39 4.519 -10.190 -10.419 1.00 0.00 C ATOM 607 C LYS A 39 3.187 -10.944 -10.505 1.00 0.00 C ATOM 608 O LYS A 39 3.147 -12.111 -10.904 1.00 0.00 O ATOM 609 CB LYS A 39 4.830 -9.449 -11.731 1.00 0.00 C ATOM 610 CG LYS A 39 5.913 -8.366 -11.581 1.00 0.00 C ATOM 611 CD LYS A 39 7.317 -8.838 -11.975 1.00 0.00 C ATOM 612 CE LYS A 39 8.322 -7.705 -11.735 1.00 0.00 C ATOM 613 NZ LYS A 39 9.664 -8.035 -12.272 1.00 0.00 N ATOM 0 H LYS A 39 6.242 -11.334 -10.797 1.00 0.00 H new ATOM 0 HA LYS A 39 4.426 -9.434 -9.639 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.152 -10.172 -12.480 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.916 -8.988 -12.105 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.643 -7.507 -12.195 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.932 -8.024 -10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.595 -9.715 -11.391 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.332 -9.136 -13.023 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.958 -6.791 -12.204 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.397 -7.507 -10.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.374 -7.411 -11.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.893 -9.025 -12.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.668 -7.901 -13.303 1.00 0.00 H new ATOM 627 N CYS A 40 2.099 -10.261 -10.155 1.00 0.00 N ATOM 628 CA CYS A 40 0.737 -10.776 -10.256 1.00 0.00 C ATOM 629 C CYS A 40 0.350 -10.998 -11.737 1.00 0.00 C ATOM 630 O CYS A 40 0.600 -10.123 -12.576 1.00 0.00 O ATOM 631 CB CYS A 40 -0.190 -9.794 -9.528 1.00 0.00 C ATOM 632 SG CYS A 40 -1.926 -10.322 -9.586 1.00 0.00 S ATOM 0 H CYS A 40 2.142 -9.312 -9.785 1.00 0.00 H new ATOM 0 HA CYS A 40 0.647 -11.753 -9.780 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.126 -9.701 -8.489 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.097 -8.806 -9.979 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.443 -10.245 -8.396 1.00 0.00 H new ATOM 637 N PRO A 41 -0.265 -12.144 -12.090 1.00 0.00 N ATOM 638 CA PRO A 41 -0.792 -12.388 -13.431 1.00 0.00 C ATOM 639 C PRO A 41 -2.058 -11.563 -13.738 1.00 0.00 C ATOM 640 O PRO A 41 -2.503 -11.553 -14.888 1.00 0.00 O ATOM 641 CB PRO A 41 -1.064 -13.897 -13.473 1.00 0.00 C ATOM 642 CG PRO A 41 -1.394 -14.244 -12.020 1.00 0.00 C ATOM 643 CD PRO A 41 -0.497 -13.295 -11.232 1.00 0.00 C ATOM 0 HA PRO A 41 -0.084 -12.075 -14.198 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.892 -14.137 -14.140 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.196 -14.451 -13.830 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.448 -14.083 -11.796 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.176 -15.288 -11.794 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.974 -12.994 -10.299 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.443 -13.779 -10.968 1.00 0.00 H new ATOM 651 N GLN A 42 -2.652 -10.893 -12.738 1.00 0.00 N ATOM 652 CA GLN A 42 -3.956 -10.226 -12.845 1.00 0.00 C ATOM 653 C GLN A 42 -3.934 -8.705 -12.581 1.00 0.00 C ATOM 654 O GLN A 42 -4.842 -8.026 -13.071 1.00 0.00 O ATOM 655 CB GLN A 42 -4.962 -10.950 -11.931 1.00 0.00 C ATOM 656 CG GLN A 42 -5.280 -12.359 -12.457 1.00 0.00 C ATOM 657 CD GLN A 42 -6.263 -13.108 -11.560 1.00 0.00 C ATOM 658 OE1 GLN A 42 -7.471 -13.087 -11.757 1.00 0.00 O ATOM 659 NE2 GLN A 42 -5.787 -13.800 -10.545 1.00 0.00 N ATOM 0 H GLN A 42 -2.229 -10.799 -11.814 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.266 -10.302 -13.887 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.556 -11.019 -10.922 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.881 -10.368 -11.865 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.695 -12.283 -13.462 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.356 -12.931 -12.536 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.782 -13.825 -10.371 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.423 -14.311 -9.933 1.00 0.00 H new ATOM 668 N CYS A 43 -2.940 -8.143 -11.871 1.00 0.00 N ATOM 669 CA CYS A 43 -2.810 -6.688 -11.690 1.00 0.00 C ATOM 670 C CYS A 43 -1.341 -6.207 -11.619 1.00 0.00 C ATOM 671 O CYS A 43 -0.401 -6.954 -11.903 1.00 0.00 O ATOM 672 CB CYS A 43 -3.654 -6.275 -10.471 1.00 0.00 C ATOM 673 SG CYS A 43 -2.950 -6.945 -8.948 1.00 0.00 S ATOM 0 H CYS A 43 -2.208 -8.682 -11.409 1.00 0.00 H new ATOM 0 HA CYS A 43 -3.197 -6.182 -12.574 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.702 -5.188 -10.407 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.676 -6.633 -10.593 1.00 0.00 H new ATOM 0 HG CYS A 43 -2.531 -8.157 -9.160 1.00 0.00 H new ATOM 678 N SER A 44 -1.145 -4.935 -11.256 1.00 0.00 N ATOM 679 CA SER A 44 0.167 -4.271 -11.136 1.00 0.00 C ATOM 680 C SER A 44 0.967 -4.674 -9.880 1.00 0.00 C ATOM 681 O SER A 44 2.065 -4.156 -9.652 1.00 0.00 O ATOM 682 CB SER A 44 -0.022 -2.747 -11.178 1.00 0.00 C ATOM 683 OG SER A 44 -0.544 -2.334 -12.432 1.00 0.00 O ATOM 0 H SER A 44 -1.921 -4.313 -11.028 1.00 0.00 H new ATOM 0 HA SER A 44 0.761 -4.609 -11.985 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.697 -2.438 -10.380 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.933 -2.253 -10.997 1.00 0.00 H new ATOM 0 HG SER A 44 -0.657 -1.361 -12.435 1.00 0.00 H new ATOM 689 N TYR A 45 0.432 -5.572 -9.049 1.00 0.00 N ATOM 690 CA TYR A 45 1.046 -6.078 -7.823 1.00 0.00 C ATOM 691 C TYR A 45 2.303 -6.927 -8.083 1.00 0.00 C ATOM 692 O TYR A 45 2.425 -7.597 -9.112 1.00 0.00 O ATOM 693 CB TYR A 45 -0.017 -6.882 -7.068 1.00 0.00 C ATOM 694 CG TYR A 45 0.415 -7.349 -5.688 1.00 0.00 C ATOM 695 CD1 TYR A 45 0.283 -6.467 -4.599 1.00 0.00 C ATOM 696 CD2 TYR A 45 0.964 -8.634 -5.488 1.00 0.00 C ATOM 697 CE1 TYR A 45 0.688 -6.862 -3.312 1.00 0.00 C ATOM 698 CE2 TYR A 45 1.372 -9.035 -4.198 1.00 0.00 C ATOM 699 CZ TYR A 45 1.235 -8.146 -3.107 1.00 0.00 C ATOM 700 OH TYR A 45 1.621 -8.523 -1.858 1.00 0.00 O ATOM 0 H TYR A 45 -0.485 -5.984 -9.223 1.00 0.00 H new ATOM 0 HA TYR A 45 1.390 -5.233 -7.227 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.914 -6.271 -6.968 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.289 -7.753 -7.665 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.132 -5.482 -4.753 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.072 -9.311 -6.323 1.00 0.00 H new ATOM 0 HE1 TYR A 45 0.580 -6.182 -2.480 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.788 -10.020 -4.044 1.00 0.00 H new ATOM 0 HH TYR A 45 1.234 -9.398 -1.646 1.00 0.00 H new ATOM 710 N ALA A 46 3.230 -6.923 -7.125 1.00 0.00 N ATOM 711 CA ALA A 46 4.411 -7.790 -7.114 1.00 0.00 C ATOM 712 C ALA A 46 4.843 -8.220 -5.698 1.00 0.00 C ATOM 713 O ALA A 46 4.687 -7.473 -4.727 1.00 0.00 O ATOM 714 CB ALA A 46 5.550 -7.084 -7.859 1.00 0.00 C ATOM 0 H ALA A 46 3.181 -6.303 -6.316 1.00 0.00 H new ATOM 0 HA ALA A 46 4.151 -8.718 -7.624 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.435 -7.720 -7.857 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.246 -6.888 -8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.780 -6.141 -7.363 1.00 0.00 H new ATOM 720 N SER A 47 5.456 -9.404 -5.602 1.00 0.00 N ATOM 721 CA SER A 47 5.948 -10.030 -4.369 1.00 0.00 C ATOM 722 C SER A 47 7.374 -10.580 -4.515 1.00 0.00 C ATOM 723 O SER A 47 7.817 -10.946 -5.606 1.00 0.00 O ATOM 724 CB SER A 47 5.016 -11.180 -3.981 1.00 0.00 C ATOM 725 OG SER A 47 5.347 -11.674 -2.699 1.00 0.00 O ATOM 0 H SER A 47 5.632 -9.982 -6.424 1.00 0.00 H new ATOM 0 HA SER A 47 5.965 -9.258 -3.599 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.982 -10.836 -3.989 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.091 -11.981 -4.716 1.00 0.00 H new ATOM 0 HG SER A 47 5.244 -12.648 -2.687 1.00 0.00 H new ATOM 731 N ALA A 48 8.077 -10.683 -3.385 1.00 0.00 N ATOM 732 CA ALA A 48 9.352 -11.395 -3.251 1.00 0.00 C ATOM 733 C ALA A 48 9.181 -12.828 -2.694 1.00 0.00 C ATOM 734 O ALA A 48 10.164 -13.561 -2.560 1.00 0.00 O ATOM 735 CB ALA A 48 10.292 -10.536 -2.399 1.00 0.00 C ATOM 0 H ALA A 48 7.766 -10.260 -2.510 1.00 0.00 H new ATOM 0 HA ALA A 48 9.791 -11.538 -4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.248 -11.046 -2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.449 -9.575 -2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.848 -10.375 -1.417 1.00 0.00 H new ATOM 741 N ILE A 49 7.942 -13.228 -2.370 1.00 0.00 N ATOM 742 CA ILE A 49 7.585 -14.527 -1.777 1.00 0.00 C ATOM 743 C ILE A 49 6.350 -15.102 -2.483 1.00 0.00 C ATOM 744 O ILE A 49 5.317 -14.434 -2.583 1.00 0.00 O ATOM 745 CB ILE A 49 7.318 -14.405 -0.254 1.00 0.00 C ATOM 746 CG1 ILE A 49 8.291 -13.431 0.447 1.00 0.00 C ATOM 747 CG2 ILE A 49 7.343 -15.807 0.379 1.00 0.00 C ATOM 748 CD1 ILE A 49 8.113 -13.341 1.966 1.00 0.00 C ATOM 0 H ILE A 49 7.128 -12.632 -2.520 1.00 0.00 H new ATOM 0 HA ILE A 49 8.430 -15.202 -1.914 1.00 0.00 H new ATOM 0 HB ILE A 49 6.328 -13.970 -0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 49 9.314 -13.740 0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.162 -12.437 0.019 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.156 -15.726 1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.572 -16.427 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.319 -16.263 0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.836 -12.636 2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 49 7.103 -13.000 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.273 -14.324 2.410 1.00 0.00 H new ATOM 760 N LYS A 50 6.421 -16.363 -2.922 1.00 0.00 N ATOM 761 CA LYS A 50 5.308 -17.051 -3.604 1.00 0.00 C ATOM 762 C LYS A 50 4.100 -17.273 -2.682 1.00 0.00 C ATOM 763 O LYS A 50 2.958 -17.148 -3.121 1.00 0.00 O ATOM 764 CB LYS A 50 5.808 -18.377 -4.201 1.00 0.00 C ATOM 765 CG LYS A 50 6.765 -18.166 -5.382 1.00 0.00 C ATOM 766 CD LYS A 50 7.101 -19.498 -6.065 1.00 0.00 C ATOM 767 CE LYS A 50 8.067 -19.284 -7.234 1.00 0.00 C ATOM 768 NZ LYS A 50 8.368 -20.561 -7.935 1.00 0.00 N ATOM 0 H LYS A 50 7.254 -16.942 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 50 4.958 -16.405 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.314 -18.953 -3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.954 -18.968 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.312 -17.487 -6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.682 -17.692 -5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.546 -20.181 -5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.186 -19.968 -6.426 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.635 -18.574 -7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.993 -18.843 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.025 -20.379 -8.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.803 -21.229 -7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.487 -20.969 -8.308 1.00 0.00 H new ATOM 782 N ALA A 51 4.339 -17.511 -1.389 1.00 0.00 N ATOM 783 CA ALA A 51 3.293 -17.594 -0.366 1.00 0.00 C ATOM 784 C ALA A 51 2.554 -16.256 -0.172 1.00 0.00 C ATOM 785 O ALA A 51 1.324 -16.233 -0.119 1.00 0.00 O ATOM 786 CB ALA A 51 3.927 -18.091 0.939 1.00 0.00 C ATOM 0 H ALA A 51 5.279 -17.653 -1.018 1.00 0.00 H new ATOM 0 HA ALA A 51 2.531 -18.301 -0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.162 -18.159 1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.368 -19.075 0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.702 -17.393 1.256 1.00 0.00 H new ATOM 792 N ASN A 52 3.270 -15.125 -0.153 1.00 0.00 N ATOM 793 CA ASN A 52 2.646 -13.798 -0.097 1.00 0.00 C ATOM 794 C ASN A 52 1.871 -13.475 -1.392 1.00 0.00 C ATOM 795 O ASN A 52 0.786 -12.897 -1.325 1.00 0.00 O ATOM 796 CB ASN A 52 3.712 -12.742 0.237 1.00 0.00 C ATOM 797 CG ASN A 52 3.129 -11.337 0.223 1.00 0.00 C ATOM 798 OD1 ASN A 52 2.335 -10.958 1.073 1.00 0.00 O ATOM 799 ND2 ASN A 52 3.474 -10.545 -0.764 1.00 0.00 N ATOM 0 H ASN A 52 4.290 -15.104 -0.176 1.00 0.00 H new ATOM 0 HA ASN A 52 1.902 -13.788 0.699 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.137 -12.951 1.219 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.527 -12.806 -0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.080 -9.606 -0.826 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.137 -10.868 -1.469 1.00 0.00 H new ATOM 806 N LEU A 53 2.358 -13.918 -2.561 1.00 0.00 N ATOM 807 CA LEU A 53 1.587 -13.807 -3.804 1.00 0.00 C ATOM 808 C LEU A 53 0.307 -14.664 -3.773 1.00 0.00 C ATOM 809 O LEU A 53 -0.719 -14.221 -4.276 1.00 0.00 O ATOM 810 CB LEU A 53 2.477 -14.112 -5.024 1.00 0.00 C ATOM 811 CG LEU A 53 1.784 -13.842 -6.377 1.00 0.00 C ATOM 812 CD1 LEU A 53 1.345 -12.384 -6.541 1.00 0.00 C ATOM 813 CD2 LEU A 53 2.731 -14.156 -7.529 1.00 0.00 C ATOM 0 H LEU A 53 3.274 -14.353 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 53 1.248 -12.775 -3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.383 -13.509 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.786 -15.156 -4.986 1.00 0.00 H new ATOM 0 HG LEU A 53 0.903 -14.484 -6.392 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.864 -12.256 -7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.641 -12.125 -5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.217 -11.732 -6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.229 -13.961 -8.476 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.618 -13.527 -7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.025 -15.205 -7.483 1.00 0.00 H new ATOM 825 N ASN A 54 0.299 -15.832 -3.120 1.00 0.00 N ATOM 826 CA ASN A 54 -0.928 -16.614 -2.904 1.00 0.00 C ATOM 827 C ASN A 54 -1.938 -15.888 -1.985 1.00 0.00 C ATOM 828 O ASN A 54 -3.135 -15.869 -2.280 1.00 0.00 O ATOM 829 CB ASN A 54 -0.544 -18.010 -2.386 1.00 0.00 C ATOM 830 CG ASN A 54 -1.764 -18.904 -2.219 1.00 0.00 C ATOM 831 OD1 ASN A 54 -2.322 -19.416 -3.178 1.00 0.00 O ATOM 832 ND2 ASN A 54 -2.228 -19.104 -1.005 1.00 0.00 N ATOM 0 H ASN A 54 1.137 -16.261 -2.728 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.450 -16.727 -3.854 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.156 -18.476 -3.080 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.029 -17.914 -1.430 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.053 -19.686 -0.864 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.762 -18.677 -0.204 1.00 0.00 H new ATOM 839 N VAL A 55 -1.459 -15.214 -0.930 1.00 0.00 N ATOM 840 CA VAL A 55 -2.271 -14.344 -0.043 1.00 0.00 C ATOM 841 C VAL A 55 -2.836 -13.120 -0.787 1.00 0.00 C ATOM 842 O VAL A 55 -3.879 -12.585 -0.408 1.00 0.00 O ATOM 843 CB VAL A 55 -1.454 -13.927 1.200 1.00 0.00 C ATOM 844 CG1 VAL A 55 -2.176 -12.940 2.128 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.132 -15.163 2.045 1.00 0.00 C ATOM 0 H VAL A 55 -0.477 -15.254 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.131 -14.924 0.292 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.564 -13.438 0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.533 -12.700 2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.409 -12.028 1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.100 -13.391 2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.556 -14.865 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.060 -15.637 2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.551 -15.868 1.451 1.00 0.00 H new ATOM 855 N HIS A 56 -2.204 -12.719 -1.889 1.00 0.00 N ATOM 856 CA HIS A 56 -2.731 -11.718 -2.822 1.00 0.00 C ATOM 857 C HIS A 56 -3.719 -12.305 -3.857 1.00 0.00 C ATOM 858 O HIS A 56 -4.789 -11.741 -4.076 1.00 0.00 O ATOM 859 CB HIS A 56 -1.552 -10.992 -3.481 1.00 0.00 C ATOM 860 CG HIS A 56 -2.011 -10.025 -4.534 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.654 -8.835 -4.304 1.00 0.00 N ATOM 862 CD2 HIS A 56 -2.010 -10.238 -5.884 1.00 0.00 C ATOM 863 CE1 HIS A 56 -3.050 -8.338 -5.481 1.00 0.00 C ATOM 864 NE2 HIS A 56 -2.678 -9.160 -6.494 1.00 0.00 N ATOM 0 H HIS A 56 -1.294 -13.086 -2.166 1.00 0.00 H new ATOM 0 HA HIS A 56 -3.327 -11.001 -2.258 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.983 -10.458 -2.720 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.879 -11.723 -3.928 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.804 -8.403 -3.392 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.573 -11.085 -6.393 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.590 -7.412 -5.607 1.00 0.00 H new ATOM 872 N LEU A 57 -3.421 -13.453 -4.476 1.00 0.00 N ATOM 873 CA LEU A 57 -4.271 -14.090 -5.501 1.00 0.00 C ATOM 874 C LEU A 57 -5.650 -14.505 -4.971 1.00 0.00 C ATOM 875 O LEU A 57 -6.645 -14.404 -5.693 1.00 0.00 O ATOM 876 CB LEU A 57 -3.539 -15.315 -6.061 1.00 0.00 C ATOM 877 CG LEU A 57 -2.380 -14.991 -7.019 1.00 0.00 C ATOM 878 CD1 LEU A 57 -1.512 -16.237 -7.176 1.00 0.00 C ATOM 879 CD2 LEU A 57 -2.891 -14.574 -8.396 1.00 0.00 C ATOM 0 H LEU A 57 -2.569 -13.978 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.450 -13.351 -6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.150 -15.901 -5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.260 -15.944 -6.584 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.809 -14.163 -6.599 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.686 -16.022 -7.853 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.117 -16.530 -6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.113 -17.050 -7.584 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.045 -14.353 -9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.478 -15.385 -8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.516 -13.686 -8.299 1.00 0.00 H new ATOM 891 N ARG A 58 -5.748 -14.883 -3.691 1.00 0.00 N ATOM 892 CA ARG A 58 -7.038 -15.153 -3.020 1.00 0.00 C ATOM 893 C ARG A 58 -7.980 -13.937 -2.929 1.00 0.00 C ATOM 894 O ARG A 58 -9.168 -14.111 -2.662 1.00 0.00 O ATOM 895 CB ARG A 58 -6.812 -15.823 -1.658 1.00 0.00 C ATOM 896 CG ARG A 58 -6.138 -14.911 -0.627 1.00 0.00 C ATOM 897 CD ARG A 58 -5.936 -15.625 0.714 1.00 0.00 C ATOM 898 NE ARG A 58 -7.211 -15.874 1.419 1.00 0.00 N ATOM 899 CZ ARG A 58 -7.891 -15.025 2.170 1.00 0.00 C ATOM 900 NH1 ARG A 58 -7.494 -13.800 2.376 1.00 0.00 N ATOM 901 NH2 ARG A 58 -9.004 -15.396 2.737 1.00 0.00 N ATOM 0 H ARG A 58 -4.938 -15.012 -3.085 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.571 -15.852 -3.664 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.772 -16.156 -1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.199 -16.713 -1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.174 -14.578 -1.011 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.747 -14.019 -0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.427 -16.574 0.544 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.285 -15.023 1.348 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.611 -16.806 1.314 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.629 -13.466 1.951 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.048 -13.176 2.963 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.354 -16.345 2.602 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.526 -14.738 3.316 1.00 0.00 H new ATOM 915 N LYS A 59 -7.478 -12.723 -3.195 1.00 0.00 N ATOM 916 CA LYS A 59 -8.279 -11.489 -3.342 1.00 0.00 C ATOM 917 C LYS A 59 -8.905 -11.345 -4.741 1.00 0.00 C ATOM 918 O LYS A 59 -9.949 -10.707 -4.877 1.00 0.00 O ATOM 919 CB LYS A 59 -7.432 -10.245 -3.004 1.00 0.00 C ATOM 920 CG LYS A 59 -6.706 -10.349 -1.652 1.00 0.00 C ATOM 921 CD LYS A 59 -6.027 -9.030 -1.262 1.00 0.00 C ATOM 922 CE LYS A 59 -5.311 -9.205 0.084 1.00 0.00 C ATOM 923 NZ LYS A 59 -4.692 -7.934 0.548 1.00 0.00 N ATOM 0 H LYS A 59 -6.478 -12.563 -3.318 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.102 -11.568 -2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.695 -10.091 -3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.077 -9.367 -2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.419 -10.632 -0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.959 -11.141 -1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.313 -8.734 -2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.768 -8.234 -1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.022 -9.557 0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.542 -9.971 -0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.218 -8.092 1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.995 -7.611 -0.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.430 -7.210 0.662 1.00 0.00 H new ATOM 937 N HIS A 60 -8.295 -11.949 -5.768 1.00 0.00 N ATOM 938 CA HIS A 60 -8.812 -11.976 -7.145 1.00 0.00 C ATOM 939 C HIS A 60 -9.828 -13.106 -7.395 1.00 0.00 C ATOM 940 O HIS A 60 -10.770 -12.927 -8.170 1.00 0.00 O ATOM 941 CB HIS A 60 -7.648 -12.139 -8.134 1.00 0.00 C ATOM 942 CG HIS A 60 -6.754 -10.935 -8.278 1.00 0.00 C ATOM 943 ND1 HIS A 60 -7.120 -9.719 -8.803 1.00 0.00 N ATOM 944 CD2 HIS A 60 -5.411 -10.879 -8.023 1.00 0.00 C ATOM 945 CE1 HIS A 60 -6.034 -8.937 -8.864 1.00 0.00 C ATOM 946 NE2 HIS A 60 -4.945 -9.602 -8.407 1.00 0.00 N ATOM 0 H HIS A 60 -7.409 -12.444 -5.664 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.330 -11.029 -7.295 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.040 -12.987 -7.818 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.057 -12.387 -9.114 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.812 -11.673 -7.602 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.027 -7.920 -9.226 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -3.988 -9.253 -8.352 1.00 0.00 H new ATOM 1012 N PHE A 65 -15.021 -24.517 -10.208 1.00 0.00 N ATOM 1013 CA PHE A 65 -15.585 -25.714 -10.835 1.00 0.00 C ATOM 1014 C PHE A 65 -15.773 -26.820 -9.783 1.00 0.00 C ATOM 1015 O PHE A 65 -15.002 -26.897 -8.822 1.00 0.00 O ATOM 1016 CB PHE A 65 -14.660 -26.160 -11.980 1.00 0.00 C ATOM 1017 CG PHE A 65 -14.445 -25.110 -13.057 1.00 0.00 C ATOM 1018 CD1 PHE A 65 -13.422 -24.152 -12.915 1.00 0.00 C ATOM 1019 CD2 PHE A 65 -15.280 -25.074 -14.190 1.00 0.00 C ATOM 1020 CE1 PHE A 65 -13.227 -23.172 -13.902 1.00 0.00 C ATOM 1021 CE2 PHE A 65 -15.091 -24.087 -15.174 1.00 0.00 C ATOM 1022 CZ PHE A 65 -14.061 -23.140 -15.034 1.00 0.00 C ATOM 0 HA PHE A 65 -16.568 -25.496 -11.253 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -13.692 -26.438 -11.562 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -15.077 -27.055 -12.441 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.785 -24.171 -12.043 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -16.067 -25.805 -14.304 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.437 -22.444 -13.792 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -15.738 -24.056 -16.038 1.00 0.00 H new ATOM 0 HZ PHE A 65 -13.910 -22.389 -15.795 1.00 0.00 H new ATOM 1032 N ALA A 66 -16.794 -27.669 -9.942 1.00 0.00 N ATOM 1033 CA ALA A 66 -17.227 -28.637 -8.927 1.00 0.00 C ATOM 1034 C ALA A 66 -17.439 -30.056 -9.489 1.00 0.00 C ATOM 1035 O ALA A 66 -17.924 -30.230 -10.612 1.00 0.00 O ATOM 1036 CB ALA A 66 -18.504 -28.108 -8.266 1.00 0.00 C ATOM 0 H ALA A 66 -17.353 -27.704 -10.795 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.430 -28.736 -8.190 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -18.841 -28.815 -7.508 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -18.300 -27.145 -7.798 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.281 -27.987 -9.021 1.00 0.00 H new ATOM 1042 N CYS A 67 -17.108 -31.063 -8.679 1.00 0.00 N ATOM 1043 CA CYS A 67 -17.257 -32.483 -8.987 1.00 0.00 C ATOM 1044 C CYS A 67 -18.732 -32.931 -9.029 1.00 0.00 C ATOM 1045 O CYS A 67 -19.587 -32.441 -8.286 1.00 0.00 O ATOM 1046 CB CYS A 67 -16.392 -33.247 -7.983 1.00 0.00 C ATOM 1047 SG CYS A 67 -16.307 -35.024 -8.370 1.00 0.00 S ATOM 0 H CYS A 67 -16.713 -30.903 -7.753 1.00 0.00 H new ATOM 0 HA CYS A 67 -16.910 -32.702 -9.997 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.386 -32.828 -7.979 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.797 -33.113 -6.980 1.00 0.00 H new ATOM 0 HG CYS A 67 -15.109 -35.465 -8.125 1.00 0.00 H new ATOM 1052 N ASP A 68 -19.019 -33.876 -9.926 1.00 0.00 N ATOM 1053 CA ASP A 68 -20.332 -34.514 -10.092 1.00 0.00 C ATOM 1054 C ASP A 68 -20.476 -35.799 -9.247 1.00 0.00 C ATOM 1055 O ASP A 68 -21.576 -36.343 -9.118 1.00 0.00 O ATOM 1056 CB ASP A 68 -20.553 -34.783 -11.589 1.00 0.00 C ATOM 1057 CG ASP A 68 -22.003 -35.192 -11.913 1.00 0.00 C ATOM 1058 OD1 ASP A 68 -22.931 -34.391 -11.648 1.00 0.00 O ATOM 1059 OD2 ASP A 68 -22.216 -36.288 -12.483 1.00 0.00 O ATOM 0 H ASP A 68 -18.322 -34.232 -10.580 1.00 0.00 H new ATOM 0 HA ASP A 68 -21.105 -33.840 -9.722 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.297 -33.888 -12.156 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.876 -35.572 -11.916 1.00 0.00 H new ATOM 1064 N TYR A 69 -19.372 -36.280 -8.661 1.00 0.00 N ATOM 1065 CA TYR A 69 -19.271 -37.573 -7.973 1.00 0.00 C ATOM 1066 C TYR A 69 -18.937 -37.451 -6.470 1.00 0.00 C ATOM 1067 O TYR A 69 -19.226 -38.378 -5.708 1.00 0.00 O ATOM 1068 CB TYR A 69 -18.210 -38.418 -8.687 1.00 0.00 C ATOM 1069 CG TYR A 69 -18.463 -38.690 -10.159 1.00 0.00 C ATOM 1070 CD1 TYR A 69 -19.253 -39.789 -10.545 1.00 0.00 C ATOM 1071 CD2 TYR A 69 -17.885 -37.860 -11.140 1.00 0.00 C ATOM 1072 CE1 TYR A 69 -19.459 -40.065 -11.911 1.00 0.00 C ATOM 1073 CE2 TYR A 69 -18.093 -38.131 -12.504 1.00 0.00 C ATOM 1074 CZ TYR A 69 -18.872 -39.239 -12.896 1.00 0.00 C ATOM 1075 OH TYR A 69 -19.044 -39.513 -14.220 1.00 0.00 O ATOM 0 H TYR A 69 -18.494 -35.761 -8.653 1.00 0.00 H new ATOM 0 HA TYR A 69 -20.250 -38.049 -8.018 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.247 -37.916 -8.590 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -18.125 -39.374 -8.170 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -19.702 -40.421 -9.793 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -17.282 -37.015 -10.844 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -20.066 -40.908 -12.206 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -17.655 -37.489 -13.254 1.00 0.00 H new ATOM 0 HH TYR A 69 -18.572 -38.842 -14.757 1.00 0.00 H new ATOM 1085 N CYS A 70 -18.345 -36.330 -6.037 1.00 0.00 N ATOM 1086 CA CYS A 70 -18.064 -35.994 -4.634 1.00 0.00 C ATOM 1087 C CYS A 70 -18.203 -34.474 -4.355 1.00 0.00 C ATOM 1088 O CYS A 70 -18.674 -33.710 -5.203 1.00 0.00 O ATOM 1089 CB CYS A 70 -16.689 -36.561 -4.231 1.00 0.00 C ATOM 1090 SG CYS A 70 -15.328 -35.635 -4.984 1.00 0.00 S ATOM 0 H CYS A 70 -18.036 -35.602 -6.681 1.00 0.00 H new ATOM 0 HA CYS A 70 -18.817 -36.466 -4.002 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -16.589 -36.534 -3.146 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -16.626 -37.607 -4.531 1.00 0.00 H new ATOM 0 HG CYS A 70 -15.614 -35.376 -6.225 1.00 0.00 H new ATOM 1095 N SER A 71 -17.805 -34.035 -3.159 1.00 0.00 N ATOM 1096 CA SER A 71 -17.886 -32.636 -2.695 1.00 0.00 C ATOM 1097 C SER A 71 -16.727 -31.733 -3.171 1.00 0.00 C ATOM 1098 O SER A 71 -16.676 -30.557 -2.801 1.00 0.00 O ATOM 1099 CB SER A 71 -17.980 -32.596 -1.162 1.00 0.00 C ATOM 1100 OG SER A 71 -19.068 -33.386 -0.698 1.00 0.00 O ATOM 0 H SER A 71 -17.403 -34.659 -2.459 1.00 0.00 H new ATOM 0 HA SER A 71 -18.788 -32.227 -3.150 1.00 0.00 H new ATOM 0 HB2 SER A 71 -17.049 -32.961 -0.727 1.00 0.00 H new ATOM 0 HB3 SER A 71 -18.105 -31.566 -0.828 1.00 0.00 H new ATOM 0 HG SER A 71 -19.107 -33.347 0.280 1.00 0.00 H new ATOM 1106 N PHE A 72 -15.778 -32.256 -3.956 1.00 0.00 N ATOM 1107 CA PHE A 72 -14.568 -31.540 -4.393 1.00 0.00 C ATOM 1108 C PHE A 72 -14.851 -30.309 -5.278 1.00 0.00 C ATOM 1109 O PHE A 72 -15.736 -30.329 -6.140 1.00 0.00 O ATOM 1110 CB PHE A 72 -13.651 -32.531 -5.119 1.00 0.00 C ATOM 1111 CG PHE A 72 -12.364 -31.944 -5.670 1.00 0.00 C ATOM 1112 CD1 PHE A 72 -11.250 -31.773 -4.828 1.00 0.00 C ATOM 1113 CD2 PHE A 72 -12.276 -31.583 -7.029 1.00 0.00 C ATOM 1114 CE1 PHE A 72 -10.052 -31.246 -5.341 1.00 0.00 C ATOM 1115 CE2 PHE A 72 -11.075 -31.064 -7.546 1.00 0.00 C ATOM 1116 CZ PHE A 72 -9.965 -30.894 -6.700 1.00 0.00 C ATOM 0 H PHE A 72 -15.829 -33.210 -4.314 1.00 0.00 H new ATOM 0 HA PHE A 72 -14.084 -31.142 -3.501 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -13.397 -33.337 -4.430 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -14.208 -32.979 -5.942 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -11.315 -32.047 -3.785 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -13.133 -31.705 -7.675 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.199 -31.112 -4.692 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -11.006 -30.797 -8.590 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.043 -30.492 -7.095 1.00 0.00 H new ATOM 1126 N THR A 73 -14.035 -29.262 -5.109 1.00 0.00 N ATOM 1127 CA THR A 73 -14.003 -28.053 -5.954 1.00 0.00 C ATOM 1128 C THR A 73 -12.569 -27.626 -6.295 1.00 0.00 C ATOM 1129 O THR A 73 -11.635 -27.836 -5.513 1.00 0.00 O ATOM 1130 CB THR A 73 -14.745 -26.863 -5.319 1.00 0.00 C ATOM 1131 OG1 THR A 73 -14.241 -26.573 -4.030 1.00 0.00 O ATOM 1132 CG2 THR A 73 -16.247 -27.105 -5.181 1.00 0.00 C ATOM 0 H THR A 73 -13.351 -29.228 -4.353 1.00 0.00 H new ATOM 0 HA THR A 73 -14.521 -28.332 -6.872 1.00 0.00 H new ATOM 0 HB THR A 73 -14.578 -26.027 -5.998 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.729 -25.812 -3.651 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.716 -26.232 -4.727 1.00 0.00 H new ATOM 0 HG22 THR A 73 -16.680 -27.278 -6.166 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.419 -27.978 -4.551 1.00 0.00 H new ATOM 1140 N CYS A 74 -12.389 -27.022 -7.472 1.00 0.00 N ATOM 1141 CA CYS A 74 -11.111 -26.507 -7.981 1.00 0.00 C ATOM 1142 C CYS A 74 -11.297 -25.241 -8.841 1.00 0.00 C ATOM 1143 O CYS A 74 -12.421 -24.839 -9.142 1.00 0.00 O ATOM 1144 CB CYS A 74 -10.392 -27.632 -8.743 1.00 0.00 C ATOM 1145 SG CYS A 74 -11.410 -28.213 -10.128 1.00 0.00 S ATOM 0 H CYS A 74 -13.159 -26.871 -8.124 1.00 0.00 H new ATOM 0 HA CYS A 74 -10.490 -26.197 -7.141 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -9.433 -27.272 -9.115 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.181 -28.460 -8.067 1.00 0.00 H new ATOM 0 HG CYS A 74 -10.979 -27.685 -11.235 1.00 0.00 H new ATOM 1151 N LEU A 75 -10.196 -24.597 -9.245 1.00 0.00 N ATOM 1152 CA LEU A 75 -10.204 -23.307 -9.960 1.00 0.00 C ATOM 1153 C LEU A 75 -9.992 -23.425 -11.487 1.00 0.00 C ATOM 1154 O LEU A 75 -9.776 -22.415 -12.161 1.00 0.00 O ATOM 1155 CB LEU A 75 -9.205 -22.343 -9.284 1.00 0.00 C ATOM 1156 CG LEU A 75 -9.441 -22.097 -7.777 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -8.399 -21.107 -7.256 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -10.836 -21.542 -7.471 1.00 0.00 C ATOM 0 H LEU A 75 -9.257 -24.960 -9.084 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.208 -22.892 -9.877 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.198 -22.738 -9.417 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.243 -21.385 -9.802 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.354 -23.064 -7.282 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.563 -20.932 -6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.400 -21.517 -7.406 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.489 -20.165 -7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.940 -21.391 -6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.970 -20.591 -7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.592 -22.249 -7.813 1.00 0.00 H new ATOM 1170 N SER A 76 -10.060 -24.638 -12.049 1.00 0.00 N ATOM 1171 CA SER A 76 -9.940 -24.897 -13.494 1.00 0.00 C ATOM 1172 C SER A 76 -10.780 -26.097 -13.942 1.00 0.00 C ATOM 1173 O SER A 76 -10.794 -27.139 -13.283 1.00 0.00 O ATOM 1174 CB SER A 76 -8.466 -25.123 -13.856 1.00 0.00 C ATOM 1175 OG SER A 76 -8.331 -25.584 -15.192 1.00 0.00 O ATOM 0 H SER A 76 -10.203 -25.487 -11.502 1.00 0.00 H new ATOM 0 HA SER A 76 -10.323 -24.022 -14.019 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.911 -24.193 -13.732 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.028 -25.849 -13.172 1.00 0.00 H new ATOM 0 HG SER A 76 -7.382 -25.718 -15.397 1.00 0.00 H new ATOM 1181 N LYS A 77 -11.418 -25.994 -15.117 1.00 0.00 N ATOM 1182 CA LYS A 77 -12.130 -27.110 -15.766 1.00 0.00 C ATOM 1183 C LYS A 77 -11.183 -28.255 -16.154 1.00 0.00 C ATOM 1184 O LYS A 77 -11.575 -29.421 -16.106 1.00 0.00 O ATOM 1185 CB LYS A 77 -12.901 -26.563 -16.981 1.00 0.00 C ATOM 1186 CG LYS A 77 -13.939 -27.568 -17.508 1.00 0.00 C ATOM 1187 CD LYS A 77 -14.849 -26.977 -18.597 1.00 0.00 C ATOM 1188 CE LYS A 77 -14.072 -26.603 -19.867 1.00 0.00 C ATOM 1189 NZ LYS A 77 -14.978 -26.090 -20.929 1.00 0.00 N ATOM 0 H LYS A 77 -11.456 -25.126 -15.651 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.836 -27.542 -15.057 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -13.403 -25.636 -16.704 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.197 -26.319 -17.777 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.422 -28.440 -17.908 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.554 -27.916 -16.678 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.626 -27.699 -18.849 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -15.351 -26.091 -18.207 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -13.325 -25.846 -19.628 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -13.534 -27.476 -20.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.421 -25.847 -21.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.675 -26.822 -21.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.472 -25.242 -20.584 1.00 0.00 H new ATOM 1203 N GLY A 78 -9.919 -27.945 -16.456 1.00 0.00 N ATOM 1204 CA GLY A 78 -8.863 -28.940 -16.670 1.00 0.00 C ATOM 1205 C GLY A 78 -8.514 -29.699 -15.387 1.00 0.00 C ATOM 1206 O GLY A 78 -8.431 -30.926 -15.397 1.00 0.00 O ATOM 0 H GLY A 78 -9.596 -26.983 -16.560 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.184 -29.649 -17.433 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.970 -28.444 -17.051 1.00 0.00 H new ATOM 1210 N HIS A 79 -8.412 -28.996 -14.253 1.00 0.00 N ATOM 1211 CA HIS A 79 -8.204 -29.622 -12.941 1.00 0.00 C ATOM 1212 C HIS A 79 -9.407 -30.493 -12.530 1.00 0.00 C ATOM 1213 O HIS A 79 -9.218 -31.567 -11.953 1.00 0.00 O ATOM 1214 CB HIS A 79 -7.893 -28.536 -11.900 1.00 0.00 C ATOM 1215 CG HIS A 79 -7.321 -29.057 -10.600 1.00 0.00 C ATOM 1216 ND1 HIS A 79 -7.593 -30.264 -9.990 1.00 0.00 N ATOM 1217 CD2 HIS A 79 -6.398 -28.419 -9.817 1.00 0.00 C ATOM 1218 CE1 HIS A 79 -6.848 -30.353 -8.874 1.00 0.00 C ATOM 1219 NE2 HIS A 79 -6.103 -29.244 -8.722 1.00 0.00 N ATOM 0 H HIS A 79 -8.471 -27.978 -14.218 1.00 0.00 H new ATOM 0 HA HIS A 79 -7.350 -30.296 -13.001 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.188 -27.826 -12.334 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -8.808 -27.985 -11.684 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -8.248 -30.969 -10.328 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.970 -27.446 -10.009 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.848 -31.194 -8.197 1.00 0.00 H new ATOM 1227 N LEU A 80 -10.634 -30.089 -12.883 1.00 0.00 N ATOM 1228 CA LEU A 80 -11.843 -30.889 -12.666 1.00 0.00 C ATOM 1229 C LEU A 80 -11.832 -32.170 -13.516 1.00 0.00 C ATOM 1230 O LEU A 80 -12.093 -33.254 -12.992 1.00 0.00 O ATOM 1231 CB LEU A 80 -13.093 -30.033 -12.944 1.00 0.00 C ATOM 1232 CG LEU A 80 -14.412 -30.811 -12.783 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -14.593 -31.364 -11.370 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -15.607 -29.916 -13.097 1.00 0.00 C ATOM 0 H LEU A 80 -10.815 -29.191 -13.331 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.867 -31.206 -11.623 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -13.098 -29.179 -12.267 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.035 -29.636 -13.957 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.361 -31.644 -13.484 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -15.538 -31.904 -11.309 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -13.772 -32.042 -11.137 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -14.598 -30.541 -10.655 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.529 -30.485 -12.977 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -15.614 -29.066 -12.415 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.533 -29.557 -14.124 1.00 0.00 H new ATOM 1246 N LYS A 81 -11.478 -32.071 -14.804 1.00 0.00 N ATOM 1247 CA LYS A 81 -11.331 -33.232 -15.696 1.00 0.00 C ATOM 1248 C LYS A 81 -10.307 -34.228 -15.140 1.00 0.00 C ATOM 1249 O LYS A 81 -10.617 -35.409 -15.020 1.00 0.00 O ATOM 1250 CB LYS A 81 -10.976 -32.751 -17.113 1.00 0.00 C ATOM 1251 CG LYS A 81 -10.908 -33.911 -18.118 1.00 0.00 C ATOM 1252 CD LYS A 81 -10.603 -33.403 -19.533 1.00 0.00 C ATOM 1253 CE LYS A 81 -10.507 -34.588 -20.502 1.00 0.00 C ATOM 1254 NZ LYS A 81 -10.208 -34.143 -21.888 1.00 0.00 N ATOM 0 H LYS A 81 -11.284 -31.180 -15.260 1.00 0.00 H new ATOM 0 HA LYS A 81 -12.278 -33.768 -15.752 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.719 -32.027 -17.446 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.016 -32.235 -17.090 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -10.138 -34.618 -17.809 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.855 -34.451 -18.119 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.385 -32.717 -19.859 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.667 -32.844 -19.535 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.729 -35.272 -20.164 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -11.445 -35.143 -20.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.151 -34.972 -22.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.963 -33.510 -22.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.300 -33.636 -21.901 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.139 -33.746 -14.709 1.00 0.00 N ATOM 1269 CA VAL A 82 -8.094 -34.575 -14.078 1.00 0.00 C ATOM 1270 C VAL A 82 -8.596 -35.221 -12.782 1.00 0.00 C ATOM 1271 O VAL A 82 -8.410 -36.424 -12.605 1.00 0.00 O ATOM 1272 CB VAL A 82 -6.812 -33.748 -13.843 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -5.756 -34.485 -13.007 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -6.153 -33.389 -15.180 1.00 0.00 C ATOM 0 H VAL A 82 -8.884 -32.761 -14.786 1.00 0.00 H new ATOM 0 HA VAL A 82 -7.848 -35.387 -14.763 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.138 -32.861 -13.299 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.882 -33.847 -12.880 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.171 -34.729 -12.029 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.464 -35.403 -13.517 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.251 -32.806 -14.996 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.892 -34.303 -15.714 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.847 -32.803 -15.782 1.00 0.00 H new ATOM 1284 N HIS A 83 -9.286 -34.482 -11.906 1.00 0.00 N ATOM 1285 CA HIS A 83 -9.885 -35.041 -10.686 1.00 0.00 C ATOM 1286 C HIS A 83 -10.856 -36.189 -11.005 1.00 0.00 C ATOM 1287 O HIS A 83 -10.761 -37.262 -10.411 1.00 0.00 O ATOM 1288 CB HIS A 83 -10.586 -33.927 -9.889 1.00 0.00 C ATOM 1289 CG HIS A 83 -11.409 -34.449 -8.735 1.00 0.00 C ATOM 1290 ND1 HIS A 83 -10.947 -34.769 -7.482 1.00 0.00 N ATOM 1291 CD2 HIS A 83 -12.748 -34.737 -8.754 1.00 0.00 C ATOM 1292 CE1 HIS A 83 -11.973 -35.239 -6.757 1.00 0.00 C ATOM 1293 NE2 HIS A 83 -13.112 -35.253 -7.493 1.00 0.00 N ATOM 0 H HIS A 83 -9.445 -33.481 -12.021 1.00 0.00 H new ATOM 0 HA HIS A 83 -9.086 -35.461 -10.075 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.836 -33.235 -9.508 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -11.231 -33.360 -10.560 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -9.986 -34.667 -7.157 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -13.413 -34.593 -9.593 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.902 -35.562 -5.729 1.00 0.00 H new ATOM 1301 N ILE A 84 -11.764 -35.999 -11.968 1.00 0.00 N ATOM 1302 CA ILE A 84 -12.737 -37.029 -12.357 1.00 0.00 C ATOM 1303 C ILE A 84 -12.028 -38.251 -12.959 1.00 0.00 C ATOM 1304 O ILE A 84 -12.294 -39.371 -12.527 1.00 0.00 O ATOM 1305 CB ILE A 84 -13.838 -36.426 -13.260 1.00 0.00 C ATOM 1306 CG1 ILE A 84 -14.684 -35.422 -12.438 1.00 0.00 C ATOM 1307 CG2 ILE A 84 -14.739 -37.534 -13.833 1.00 0.00 C ATOM 1308 CD1 ILE A 84 -15.704 -34.620 -13.254 1.00 0.00 C ATOM 0 H ILE A 84 -11.846 -35.132 -12.498 1.00 0.00 H new ATOM 0 HA ILE A 84 -13.251 -37.397 -11.469 1.00 0.00 H new ATOM 0 HB ILE A 84 -13.366 -35.907 -14.094 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -15.213 -35.969 -11.658 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -14.011 -34.725 -11.939 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -15.507 -37.088 -14.465 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -14.137 -38.223 -14.425 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -15.213 -38.077 -13.015 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -16.248 -33.945 -12.594 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -15.185 -34.041 -14.017 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -16.406 -35.303 -13.732 1.00 0.00 H new ATOM 1320 N GLU A 85 -11.086 -38.054 -13.886 1.00 0.00 N ATOM 1321 CA GLU A 85 -10.310 -39.136 -14.515 1.00 0.00 C ATOM 1322 C GLU A 85 -9.541 -39.990 -13.489 1.00 0.00 C ATOM 1323 O GLU A 85 -9.589 -41.221 -13.552 1.00 0.00 O ATOM 1324 CB GLU A 85 -9.315 -38.543 -15.524 1.00 0.00 C ATOM 1325 CG GLU A 85 -9.994 -38.085 -16.824 1.00 0.00 C ATOM 1326 CD GLU A 85 -9.006 -37.439 -17.815 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -8.003 -36.820 -17.383 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -9.232 -37.550 -19.045 1.00 0.00 O ATOM 0 H GLU A 85 -10.835 -37.127 -14.228 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.024 -39.788 -15.018 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.802 -37.696 -15.068 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.554 -39.287 -15.759 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.473 -38.941 -17.300 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.782 -37.371 -16.585 1.00 0.00 H new ATOM 1335 N ARG A 86 -8.843 -39.356 -12.534 1.00 0.00 N ATOM 1336 CA ARG A 86 -8.011 -40.037 -11.531 1.00 0.00 C ATOM 1337 C ARG A 86 -8.804 -40.661 -10.379 1.00 0.00 C ATOM 1338 O ARG A 86 -8.405 -41.720 -9.895 1.00 0.00 O ATOM 1339 CB ARG A 86 -6.983 -39.025 -10.999 1.00 0.00 C ATOM 1340 CG ARG A 86 -5.747 -38.833 -11.898 1.00 0.00 C ATOM 1341 CD ARG A 86 -5.961 -38.557 -13.394 1.00 0.00 C ATOM 1342 NE ARG A 86 -4.664 -38.365 -14.074 1.00 0.00 N ATOM 1343 CZ ARG A 86 -4.448 -37.830 -15.262 1.00 0.00 C ATOM 1344 NH1 ARG A 86 -5.407 -37.399 -16.028 1.00 0.00 N ATOM 1345 NH2 ARG A 86 -3.231 -37.713 -15.714 1.00 0.00 N ATOM 0 H ARG A 86 -8.841 -38.341 -12.436 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.522 -40.879 -12.021 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.475 -38.061 -10.870 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.651 -39.348 -10.012 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.165 -38.007 -11.489 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.132 -39.729 -11.811 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.498 -39.388 -13.850 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.580 -37.669 -13.521 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.838 -38.683 -13.567 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.377 -37.467 -15.718 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.189 -36.993 -16.938 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.444 -38.035 -15.150 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.065 -37.300 -16.632 1.00 0.00 H new ATOM 1359 N VAL A 87 -9.897 -40.035 -9.928 1.00 0.00 N ATOM 1360 CA VAL A 87 -10.605 -40.426 -8.689 1.00 0.00 C ATOM 1361 C VAL A 87 -11.889 -41.230 -8.938 1.00 0.00 C ATOM 1362 O VAL A 87 -12.191 -42.129 -8.154 1.00 0.00 O ATOM 1363 CB VAL A 87 -10.879 -39.189 -7.799 1.00 0.00 C ATOM 1364 CG1 VAL A 87 -11.483 -39.563 -6.438 1.00 0.00 C ATOM 1365 CG2 VAL A 87 -9.585 -38.411 -7.501 1.00 0.00 C ATOM 0 H VAL A 87 -10.321 -39.241 -10.408 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.935 -41.102 -8.157 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.583 -38.583 -8.369 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.655 -38.658 -5.855 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -12.430 -40.082 -6.590 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.794 -40.215 -5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.815 -37.549 -6.874 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.881 -39.061 -6.981 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.141 -38.071 -8.437 1.00 0.00 H new ATOM 1375 N HIS A 88 -12.634 -40.950 -10.017 1.00 0.00 N ATOM 1376 CA HIS A 88 -13.991 -41.495 -10.221 1.00 0.00 C ATOM 1377 C HIS A 88 -14.192 -42.301 -11.516 1.00 0.00 C ATOM 1378 O HIS A 88 -15.012 -43.223 -11.541 1.00 0.00 O ATOM 1379 CB HIS A 88 -14.993 -40.333 -10.166 1.00 0.00 C ATOM 1380 CG HIS A 88 -14.928 -39.524 -8.894 1.00 0.00 C ATOM 1381 ND1 HIS A 88 -15.295 -39.941 -7.636 1.00 0.00 N ATOM 1382 CD2 HIS A 88 -14.565 -38.211 -8.794 1.00 0.00 C ATOM 1383 CE1 HIS A 88 -15.179 -38.901 -6.794 1.00 0.00 C ATOM 1384 NE2 HIS A 88 -14.742 -37.804 -7.456 1.00 0.00 N ATOM 0 H HIS A 88 -12.318 -40.342 -10.772 1.00 0.00 H new ATOM 0 HA HIS A 88 -14.154 -42.217 -9.421 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -14.814 -39.672 -11.014 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -16.001 -40.731 -10.280 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -14.204 -37.591 -9.601 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -15.403 -38.935 -5.738 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -14.575 -36.876 -7.067 1.00 0.00 H new