USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 536 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 35 TYR OH : rot 165:sc= 0.00681 USER MOD Set 1.2: A 59 THR OG1 : rot -169:sc= 0.053 USER MOD Set 1.3: A 63 GLN : amide:sc=-0.00903 X(o=0.051,f=-0.25) USER MOD Set 2.1: A 17 ASN : amide:sc= 0.667 K(o=1.9,f=-8.6!) USER MOD Set 2.2: A 19 THR OG1 : rot 77:sc= 1.21 USER MOD Set 3.1: A 12 ASN : amide:sc= 0.465 K(o=2.4,f=0.64!) USER MOD Set 3.2: A 20 SER OG : rot -69:sc= 1.28 USER MOD Set 3.3: A 24 SER OG : rot 180:sc= 0.627 USER MOD Set 4.1: A 8 GLN : amide:sc= 0.255 K(o=0.5,f=-0.4) USER MOD Set 4.2: A 10 THR OG1 : rot 160:sc= 0.242 USER MOD Single : A 7 ASN : amide:sc= 0.0498 K(o=0.05,f=-1.5) USER MOD Single : A 13 TYR OH : rot 6:sc= 1.2 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 49:sc= 1.06 USER MOD Single : A 32 ASN : amide:sc= -0.0104 K(o=-0.01,f=-0.98) USER MOD Single : A 36 ASN : amide:sc= -0.0745 K(o=-0.075,f=-1.2) USER MOD Single : A 39 MET CE :methyl -161:sc= -0.13 (180deg=-0.838) USER MOD Single : A 40 LYS NZ :NH3+ -170:sc=-0.00464 (180deg=-0.103) USER MOD Single : A 41 LYS NZ :NH3+ 142:sc= 1.02 (180deg=-0.184) USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00866) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= 1.28 (180deg=1.1) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 69 TYR OH : rot -115:sc= 1.16 USER MOD Single : A 70 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.9) USER MOD Single : A 71 LYS NZ :NH3+ 149:sc= 0.861 (180deg=-0.297!) USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= -0.0015 (180deg=-0.054) USER MOD ----------------------------------------------------------------- ATOM 95 N ASN A 7 12.759 7.598 1.479 1.00 0.00 N ATOM 96 CA ASN A 7 11.605 7.443 2.358 1.00 0.00 C ATOM 97 C ASN A 7 10.333 7.252 1.539 1.00 0.00 C ATOM 98 O ASN A 7 9.384 8.031 1.659 1.00 0.00 O ATOM 99 CB ASN A 7 11.443 8.672 3.261 1.00 0.00 C ATOM 100 CG ASN A 7 12.716 9.059 3.993 1.00 0.00 C ATOM 101 OD1 ASN A 7 13.551 8.216 4.313 1.00 0.00 O ATOM 102 ND2 ASN A 7 12.868 10.347 4.268 1.00 0.00 N ATOM 0 HA ASN A 7 11.772 6.562 2.978 1.00 0.00 H new ATOM 0 HB2 ASN A 7 11.110 9.516 2.656 1.00 0.00 H new ATOM 0 HB3 ASN A 7 10.659 8.475 3.992 1.00 0.00 H new ATOM 0 HD21 ASN A 7 13.701 10.668 4.762 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.152 11.017 3.986 1.00 0.00 H new ATOM 109 N GLN A 8 10.315 6.228 0.704 1.00 0.00 N ATOM 110 CA GLN A 8 9.176 5.974 -0.159 1.00 0.00 C ATOM 111 C GLN A 8 8.463 4.685 0.236 1.00 0.00 C ATOM 112 O GLN A 8 8.908 3.585 -0.093 1.00 0.00 O ATOM 113 CB GLN A 8 9.611 5.904 -1.627 1.00 0.00 C ATOM 114 CG GLN A 8 8.477 5.546 -2.579 1.00 0.00 C ATOM 115 CD GLN A 8 8.919 5.460 -4.027 1.00 0.00 C ATOM 116 OE1 GLN A 8 9.823 6.170 -4.463 1.00 0.00 O ATOM 117 NE2 GLN A 8 8.292 4.570 -4.781 1.00 0.00 N ATOM 0 H GLN A 8 11.078 5.558 0.606 1.00 0.00 H new ATOM 0 HA GLN A 8 8.479 6.804 -0.038 1.00 0.00 H new ATOM 0 HB2 GLN A 8 10.031 6.866 -1.920 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.406 5.165 -1.727 1.00 0.00 H new ATOM 0 HG2 GLN A 8 8.048 4.590 -2.279 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.687 6.292 -2.490 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.546 3.999 -4.383 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.555 4.455 -5.760 1.00 0.00 H new ATOM 126 N VAL A 9 7.367 4.826 0.959 1.00 0.00 N ATOM 127 CA VAL A 9 6.508 3.696 1.252 1.00 0.00 C ATOM 128 C VAL A 9 5.424 3.615 0.189 1.00 0.00 C ATOM 129 O VAL A 9 4.581 4.503 0.075 1.00 0.00 O ATOM 130 CB VAL A 9 5.871 3.797 2.655 1.00 0.00 C ATOM 131 CG1 VAL A 9 4.917 2.638 2.898 1.00 0.00 C ATOM 132 CG2 VAL A 9 6.950 3.828 3.727 1.00 0.00 C ATOM 0 H VAL A 9 7.052 5.712 1.354 1.00 0.00 H new ATOM 0 HA VAL A 9 7.117 2.792 1.244 1.00 0.00 H new ATOM 0 HB VAL A 9 5.302 4.725 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.480 2.729 3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.124 2.656 2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.462 1.697 2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.484 3.899 4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.544 2.916 3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.596 4.691 3.568 1.00 0.00 H new ATOM 142 N THR A 10 5.467 2.569 -0.609 1.00 0.00 N ATOM 143 CA THR A 10 4.549 2.428 -1.717 1.00 0.00 C ATOM 144 C THR A 10 3.408 1.491 -1.344 1.00 0.00 C ATOM 145 O THR A 10 3.599 0.282 -1.216 1.00 0.00 O ATOM 146 CB THR A 10 5.280 1.901 -2.964 1.00 0.00 C ATOM 147 OG1 THR A 10 6.506 2.630 -3.138 1.00 0.00 O ATOM 148 CG2 THR A 10 4.418 2.057 -4.208 1.00 0.00 C ATOM 0 H THR A 10 6.131 1.801 -0.509 1.00 0.00 H new ATOM 0 HA THR A 10 4.137 3.411 -1.946 1.00 0.00 H new ATOM 0 HB THR A 10 5.490 0.841 -2.821 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.115 2.114 -3.706 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.958 1.677 -5.075 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.493 1.495 -4.082 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.185 3.111 -4.359 1.00 0.00 H new ATOM 156 N VAL A 11 2.235 2.063 -1.135 1.00 0.00 N ATOM 157 CA VAL A 11 1.065 1.283 -0.777 1.00 0.00 C ATOM 158 C VAL A 11 0.279 0.921 -2.028 1.00 0.00 C ATOM 159 O VAL A 11 -0.213 1.800 -2.740 1.00 0.00 O ATOM 160 CB VAL A 11 0.151 2.047 0.205 1.00 0.00 C ATOM 161 CG1 VAL A 11 -1.047 1.197 0.601 1.00 0.00 C ATOM 162 CG2 VAL A 11 0.932 2.479 1.437 1.00 0.00 C ATOM 0 H VAL A 11 2.068 3.067 -1.207 1.00 0.00 H new ATOM 0 HA VAL A 11 1.411 0.375 -0.282 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.218 2.940 -0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.677 1.756 1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.623 0.943 -0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.701 0.283 1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.271 3.016 2.117 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.334 1.599 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.752 3.132 1.138 1.00 0.00 H new ATOM 172 N ASN A 12 0.182 -0.368 -2.309 1.00 0.00 N ATOM 173 CA ASN A 12 -0.545 -0.832 -3.477 1.00 0.00 C ATOM 174 C ASN A 12 -1.777 -1.616 -3.071 1.00 0.00 C ATOM 175 O ASN A 12 -1.693 -2.592 -2.323 1.00 0.00 O ATOM 176 CB ASN A 12 0.348 -1.684 -4.383 1.00 0.00 C ATOM 177 CG ASN A 12 1.305 -0.844 -5.204 1.00 0.00 C ATOM 178 OD1 ASN A 12 2.430 -0.569 -4.787 1.00 0.00 O ATOM 179 ND2 ASN A 12 0.858 -0.425 -6.378 1.00 0.00 N ATOM 0 H ASN A 12 0.597 -1.110 -1.745 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.861 0.048 -4.038 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.916 -2.386 -3.773 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.277 -2.276 -5.051 1.00 0.00 H new ATOM 0 HD21 ASN A 12 1.453 0.149 -6.975 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.082 -0.676 -6.685 1.00 0.00 H new ATOM 186 N TYR A 13 -2.921 -1.167 -3.558 1.00 0.00 N ATOM 187 CA TYR A 13 -4.182 -1.829 -3.288 1.00 0.00 C ATOM 188 C TYR A 13 -4.438 -2.873 -4.365 1.00 0.00 C ATOM 189 O TYR A 13 -4.800 -2.541 -5.494 1.00 0.00 O ATOM 190 CB TYR A 13 -5.322 -0.809 -3.251 1.00 0.00 C ATOM 191 CG TYR A 13 -5.080 0.342 -2.298 1.00 0.00 C ATOM 192 CD1 TYR A 13 -5.364 0.222 -0.943 1.00 0.00 C ATOM 193 CD2 TYR A 13 -4.569 1.551 -2.755 1.00 0.00 C ATOM 194 CE1 TYR A 13 -5.148 1.272 -0.074 1.00 0.00 C ATOM 195 CE2 TYR A 13 -4.353 2.607 -1.891 1.00 0.00 C ATOM 196 CZ TYR A 13 -4.645 2.461 -0.552 1.00 0.00 C ATOM 197 OH TYR A 13 -4.441 3.513 0.309 1.00 0.00 O ATOM 0 H TYR A 13 -3.000 -0.339 -4.148 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.134 -2.318 -2.315 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.475 -0.412 -4.255 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.243 -1.317 -2.966 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.760 -0.708 -0.564 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.337 1.667 -3.803 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.373 1.161 0.977 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.958 3.541 -2.262 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.616 3.222 1.228 1.00 0.00 H new ATOM 207 N LEU A 14 -4.231 -4.129 -4.016 1.00 0.00 N ATOM 208 CA LEU A 14 -4.279 -5.208 -4.988 1.00 0.00 C ATOM 209 C LEU A 14 -5.575 -5.988 -4.890 1.00 0.00 C ATOM 210 O LEU A 14 -6.214 -6.022 -3.843 1.00 0.00 O ATOM 211 CB LEU A 14 -3.103 -6.162 -4.776 1.00 0.00 C ATOM 212 CG LEU A 14 -1.724 -5.506 -4.793 1.00 0.00 C ATOM 213 CD1 LEU A 14 -0.636 -6.549 -4.601 1.00 0.00 C ATOM 214 CD2 LEU A 14 -1.515 -4.745 -6.091 1.00 0.00 C ATOM 0 H LEU A 14 -4.027 -4.429 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.219 -4.758 -5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.235 -6.669 -3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.133 -6.928 -5.551 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.667 -4.797 -3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.340 -6.064 -4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.777 -7.050 -3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.689 -7.282 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.528 -4.283 -6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.590 -5.434 -6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.277 -3.971 -6.186 1.00 0.00 H new ATOM 226 N ASP A 15 -5.954 -6.601 -5.997 1.00 0.00 N ATOM 227 CA ASP A 15 -7.075 -7.534 -6.017 1.00 0.00 C ATOM 228 C ASP A 15 -6.631 -8.881 -5.465 1.00 0.00 C ATOM 229 O ASP A 15 -7.143 -9.357 -4.455 1.00 0.00 O ATOM 230 CB ASP A 15 -7.600 -7.703 -7.446 1.00 0.00 C ATOM 231 CG ASP A 15 -8.626 -8.813 -7.569 1.00 0.00 C ATOM 232 OD1 ASP A 15 -9.831 -8.551 -7.354 1.00 0.00 O ATOM 233 OD2 ASP A 15 -8.239 -9.956 -7.892 1.00 0.00 O ATOM 0 H ASP A 15 -5.501 -6.471 -6.901 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.877 -7.136 -5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.045 -6.765 -7.778 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.764 -7.912 -8.113 1.00 0.00 H new ATOM 238 N GLU A 16 -5.655 -9.467 -6.143 1.00 0.00 N ATOM 239 CA GLU A 16 -5.070 -10.746 -5.753 1.00 0.00 C ATOM 240 C GLU A 16 -4.030 -11.144 -6.789 1.00 0.00 C ATOM 241 O GLU A 16 -2.937 -11.602 -6.461 1.00 0.00 O ATOM 242 CB GLU A 16 -6.134 -11.841 -5.656 1.00 0.00 C ATOM 243 CG GLU A 16 -5.569 -13.193 -5.266 1.00 0.00 C ATOM 244 CD GLU A 16 -6.565 -14.315 -5.444 1.00 0.00 C ATOM 245 OE1 GLU A 16 -6.853 -14.672 -6.605 1.00 0.00 O ATOM 246 OE2 GLU A 16 -7.039 -14.862 -4.428 1.00 0.00 O ATOM 0 H GLU A 16 -5.242 -9.067 -6.986 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.612 -10.634 -4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.885 -11.544 -4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.642 -11.930 -6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.684 -13.400 -5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.246 -13.161 -4.225 1.00 0.00 H new ATOM 253 N ASN A 17 -4.382 -10.920 -8.048 1.00 0.00 N ATOM 254 CA ASN A 17 -3.520 -11.238 -9.182 1.00 0.00 C ATOM 255 C ASN A 17 -2.522 -10.109 -9.444 1.00 0.00 C ATOM 256 O ASN A 17 -2.088 -9.898 -10.575 1.00 0.00 O ATOM 257 CB ASN A 17 -4.374 -11.488 -10.433 1.00 0.00 C ATOM 258 CG ASN A 17 -5.399 -10.392 -10.667 1.00 0.00 C ATOM 259 OD1 ASN A 17 -5.207 -9.248 -10.257 1.00 0.00 O ATOM 260 ND2 ASN A 17 -6.496 -10.729 -11.324 1.00 0.00 N ATOM 0 H ASN A 17 -5.278 -10.511 -8.314 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.957 -12.141 -8.944 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.723 -11.564 -11.304 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.886 -12.445 -10.334 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.217 -10.030 -11.505 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.621 -11.688 -11.649 1.00 0.00 H new ATOM 267 N ASN A 18 -2.184 -9.389 -8.375 1.00 0.00 N ATOM 268 CA ASN A 18 -1.184 -8.313 -8.407 1.00 0.00 C ATOM 269 C ASN A 18 -1.678 -7.072 -9.145 1.00 0.00 C ATOM 270 O ASN A 18 -0.959 -6.079 -9.239 1.00 0.00 O ATOM 271 CB ASN A 18 0.137 -8.791 -9.021 1.00 0.00 C ATOM 272 CG ASN A 18 0.790 -9.892 -8.213 1.00 0.00 C ATOM 273 OD1 ASN A 18 0.548 -11.075 -8.447 1.00 0.00 O ATOM 274 ND2 ASN A 18 1.623 -9.512 -7.258 1.00 0.00 N ATOM 0 H ASN A 18 -2.597 -9.534 -7.454 1.00 0.00 H new ATOM 0 HA ASN A 18 -1.012 -8.035 -7.367 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -0.046 -9.149 -10.034 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.823 -7.948 -9.100 1.00 0.00 H new ATOM 0 HD21 ASN A 18 2.093 -10.211 -6.683 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.796 -8.520 -7.097 1.00 0.00 H new ATOM 281 N THR A 19 -2.896 -7.122 -9.662 1.00 0.00 N ATOM 282 CA THR A 19 -3.485 -5.960 -10.303 1.00 0.00 C ATOM 283 C THR A 19 -3.849 -4.920 -9.252 1.00 0.00 C ATOM 284 O THR A 19 -4.590 -5.212 -8.308 1.00 0.00 O ATOM 285 CB THR A 19 -4.742 -6.332 -11.112 1.00 0.00 C ATOM 286 OG1 THR A 19 -4.448 -7.430 -11.983 1.00 0.00 O ATOM 287 CG2 THR A 19 -5.236 -5.153 -11.935 1.00 0.00 C ATOM 0 H THR A 19 -3.492 -7.950 -9.650 1.00 0.00 H new ATOM 0 HA THR A 19 -2.746 -5.552 -10.993 1.00 0.00 H new ATOM 0 HB THR A 19 -5.526 -6.614 -10.409 1.00 0.00 H new ATOM 0 HG1 THR A 19 -4.429 -8.262 -11.466 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.124 -5.447 -12.495 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.483 -4.324 -11.272 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.456 -4.842 -12.630 1.00 0.00 H new ATOM 295 N SER A 20 -3.305 -3.724 -9.401 1.00 0.00 N ATOM 296 CA SER A 20 -3.568 -2.651 -8.466 1.00 0.00 C ATOM 297 C SER A 20 -4.878 -1.961 -8.843 1.00 0.00 C ATOM 298 O SER A 20 -4.954 -1.264 -9.854 1.00 0.00 O ATOM 299 CB SER A 20 -2.400 -1.657 -8.472 1.00 0.00 C ATOM 300 OG SER A 20 -2.295 -0.963 -7.237 1.00 0.00 O ATOM 0 H SER A 20 -2.677 -3.474 -10.165 1.00 0.00 H new ATOM 0 HA SER A 20 -3.665 -3.054 -7.458 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.470 -2.190 -8.671 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.536 -0.940 -9.282 1.00 0.00 H new ATOM 0 HG SER A 20 -3.056 -0.353 -7.139 1.00 0.00 H new ATOM 306 N ILE A 21 -5.912 -2.180 -8.037 1.00 0.00 N ATOM 307 CA ILE A 21 -7.232 -1.612 -8.304 1.00 0.00 C ATOM 308 C ILE A 21 -7.225 -0.105 -8.063 1.00 0.00 C ATOM 309 O ILE A 21 -8.107 0.623 -8.520 1.00 0.00 O ATOM 310 CB ILE A 21 -8.323 -2.281 -7.438 1.00 0.00 C ATOM 311 CG1 ILE A 21 -7.975 -2.175 -5.949 1.00 0.00 C ATOM 312 CG2 ILE A 21 -8.494 -3.737 -7.848 1.00 0.00 C ATOM 313 CD1 ILE A 21 -9.008 -2.796 -5.033 1.00 0.00 C ATOM 0 H ILE A 21 -5.863 -2.748 -7.191 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.466 -1.805 -9.351 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.266 -1.759 -7.601 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.013 -2.657 -5.775 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.857 -1.124 -5.687 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -9.265 -4.200 -7.232 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.788 -3.788 -8.896 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.552 -4.267 -7.709 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.691 -2.681 -3.996 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.967 -2.299 -5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.110 -3.856 -5.266 1.00 0.00 H new ATOM 325 N ALA A 22 -6.216 0.346 -7.339 1.00 0.00 N ATOM 326 CA ALA A 22 -5.990 1.761 -7.126 1.00 0.00 C ATOM 327 C ALA A 22 -4.520 2.068 -7.364 1.00 0.00 C ATOM 328 O ALA A 22 -3.658 1.269 -6.995 1.00 0.00 O ATOM 329 CB ALA A 22 -6.414 2.163 -5.721 1.00 0.00 C ATOM 0 H ALA A 22 -5.532 -0.259 -6.884 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.592 2.339 -7.827 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.237 3.229 -5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.474 1.950 -5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.835 1.598 -4.991 1.00 0.00 H new ATOM 335 N PRO A 23 -4.212 3.204 -8.008 1.00 0.00 N ATOM 336 CA PRO A 23 -2.833 3.597 -8.324 1.00 0.00 C ATOM 337 C PRO A 23 -1.933 3.604 -7.090 1.00 0.00 C ATOM 338 O PRO A 23 -2.389 3.888 -5.980 1.00 0.00 O ATOM 339 CB PRO A 23 -2.971 5.014 -8.895 1.00 0.00 C ATOM 340 CG PRO A 23 -4.356 5.452 -8.557 1.00 0.00 C ATOM 341 CD PRO A 23 -5.181 4.201 -8.487 1.00 0.00 C ATOM 0 HA PRO A 23 -2.366 2.895 -9.015 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.231 5.685 -8.460 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.811 5.019 -9.973 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.375 5.986 -7.607 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.745 6.134 -9.313 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.023 4.309 -7.804 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.592 3.932 -9.460 1.00 0.00 H new ATOM 349 N SER A 24 -0.658 3.292 -7.303 1.00 0.00 N ATOM 350 CA SER A 24 0.319 3.213 -6.222 1.00 0.00 C ATOM 351 C SER A 24 0.305 4.479 -5.369 1.00 0.00 C ATOM 352 O SER A 24 0.463 5.592 -5.879 1.00 0.00 O ATOM 353 CB SER A 24 1.714 2.992 -6.808 1.00 0.00 C ATOM 354 OG SER A 24 1.709 1.918 -7.736 1.00 0.00 O ATOM 0 H SER A 24 -0.274 3.088 -8.226 1.00 0.00 H new ATOM 0 HA SER A 24 0.054 2.373 -5.580 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.054 3.903 -7.301 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.421 2.781 -6.005 1.00 0.00 H new ATOM 0 HG SER A 24 2.611 1.795 -8.099 1.00 0.00 H new ATOM 360 N LEU A 25 0.111 4.304 -4.073 1.00 0.00 N ATOM 361 CA LEU A 25 0.059 5.427 -3.155 1.00 0.00 C ATOM 362 C LEU A 25 1.455 5.734 -2.637 1.00 0.00 C ATOM 363 O LEU A 25 2.099 4.892 -2.006 1.00 0.00 O ATOM 364 CB LEU A 25 -0.880 5.117 -1.988 1.00 0.00 C ATOM 365 CG LEU A 25 -1.031 6.236 -0.954 1.00 0.00 C ATOM 366 CD1 LEU A 25 -1.681 7.460 -1.579 1.00 0.00 C ATOM 367 CD2 LEU A 25 -1.840 5.750 0.236 1.00 0.00 C ATOM 0 H LEU A 25 -0.013 3.392 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.324 6.299 -3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.865 4.880 -2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.519 4.222 -1.481 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.038 6.519 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.779 8.243 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.062 7.821 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.668 7.194 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.939 6.556 0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.830 5.440 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.333 4.904 0.700 1.00 0.00 H new ATOM 379 N TYR A 26 1.922 6.939 -2.922 1.00 0.00 N ATOM 380 CA TYR A 26 3.258 7.350 -2.528 1.00 0.00 C ATOM 381 C TYR A 26 3.243 7.916 -1.115 1.00 0.00 C ATOM 382 O TYR A 26 2.993 9.105 -0.914 1.00 0.00 O ATOM 383 CB TYR A 26 3.811 8.400 -3.499 1.00 0.00 C ATOM 384 CG TYR A 26 3.677 8.024 -4.958 1.00 0.00 C ATOM 385 CD1 TYR A 26 4.582 7.161 -5.562 1.00 0.00 C ATOM 386 CD2 TYR A 26 2.645 8.539 -5.733 1.00 0.00 C ATOM 387 CE1 TYR A 26 4.462 6.822 -6.898 1.00 0.00 C ATOM 388 CE2 TYR A 26 2.518 8.205 -7.066 1.00 0.00 C ATOM 389 CZ TYR A 26 3.428 7.348 -7.645 1.00 0.00 C ATOM 390 OH TYR A 26 3.303 7.016 -8.977 1.00 0.00 O ATOM 0 H TYR A 26 1.393 7.651 -3.426 1.00 0.00 H new ATOM 0 HA TYR A 26 3.904 6.472 -2.555 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.294 9.344 -3.329 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.864 8.569 -3.274 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.392 6.748 -4.980 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.930 9.212 -5.284 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.174 6.149 -7.354 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.709 8.614 -7.653 1.00 0.00 H new ATOM 0 HH TYR A 26 2.522 7.471 -9.356 1.00 0.00 H new ATOM 400 N LEU A 27 3.477 7.060 -0.138 1.00 0.00 N ATOM 401 CA LEU A 27 3.538 7.490 1.246 1.00 0.00 C ATOM 402 C LEU A 27 4.975 7.851 1.597 1.00 0.00 C ATOM 403 O LEU A 27 5.791 6.983 1.905 1.00 0.00 O ATOM 404 CB LEU A 27 3.011 6.386 2.170 1.00 0.00 C ATOM 405 CG LEU A 27 2.937 6.745 3.656 1.00 0.00 C ATOM 406 CD1 LEU A 27 1.975 7.900 3.883 1.00 0.00 C ATOM 407 CD2 LEU A 27 2.513 5.532 4.469 1.00 0.00 C ATOM 0 H LEU A 27 3.628 6.061 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 27 2.909 8.369 1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.014 6.101 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.648 5.509 2.058 1.00 0.00 H new ATOM 0 HG LEU A 27 3.928 7.058 3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.938 8.139 4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.317 8.773 3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.980 7.618 3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.464 5.800 5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.532 5.195 4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.239 4.730 4.332 1.00 0.00 H new ATOM 419 N SER A 28 5.294 9.129 1.508 1.00 0.00 N ATOM 420 CA SER A 28 6.642 9.586 1.769 1.00 0.00 C ATOM 421 C SER A 28 6.657 10.561 2.935 1.00 0.00 C ATOM 422 O SER A 28 5.839 11.478 3.002 1.00 0.00 O ATOM 423 CB SER A 28 7.236 10.243 0.518 1.00 0.00 C ATOM 424 OG SER A 28 8.616 10.522 0.693 1.00 0.00 O ATOM 0 H SER A 28 4.636 9.867 1.257 1.00 0.00 H new ATOM 0 HA SER A 28 7.253 8.723 2.032 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.101 9.585 -0.341 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.700 11.167 0.299 1.00 0.00 H new ATOM 0 HG SER A 28 9.069 9.727 1.043 1.00 0.00 H new ATOM 430 N GLY A 29 7.578 10.343 3.857 1.00 0.00 N ATOM 431 CA GLY A 29 7.720 11.219 4.997 1.00 0.00 C ATOM 432 C GLY A 29 9.173 11.455 5.327 1.00 0.00 C ATOM 433 O GLY A 29 10.001 11.606 4.422 1.00 0.00 O ATOM 0 H GLY A 29 8.237 9.565 3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.232 12.171 4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.215 10.783 5.859 1.00 0.00 H new ATOM 437 N LEU A 30 9.493 11.480 6.607 1.00 0.00 N ATOM 438 CA LEU A 30 10.870 11.660 7.040 1.00 0.00 C ATOM 439 C LEU A 30 11.473 10.318 7.434 1.00 0.00 C ATOM 440 O LEU A 30 10.748 9.391 7.796 1.00 0.00 O ATOM 441 CB LEU A 30 10.958 12.644 8.215 1.00 0.00 C ATOM 442 CG LEU A 30 10.671 14.118 7.885 1.00 0.00 C ATOM 443 CD1 LEU A 30 11.490 14.571 6.685 1.00 0.00 C ATOM 444 CD2 LEU A 30 9.187 14.355 7.644 1.00 0.00 C ATOM 0 H LEU A 30 8.820 11.378 7.367 1.00 0.00 H new ATOM 0 HA LEU A 30 11.436 12.077 6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.257 12.322 8.985 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.957 12.577 8.645 1.00 0.00 H new ATOM 0 HG LEU A 30 10.966 14.714 8.749 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.271 15.617 6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.552 14.460 6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.235 13.961 5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.019 15.407 7.413 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.852 13.742 6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.626 14.086 8.539 1.00 0.00 H new ATOM 456 N PHE A 31 12.794 10.209 7.345 1.00 0.00 N ATOM 457 CA PHE A 31 13.484 8.979 7.712 1.00 0.00 C ATOM 458 C PHE A 31 13.323 8.714 9.202 1.00 0.00 C ATOM 459 O PHE A 31 13.489 9.623 10.016 1.00 0.00 O ATOM 460 CB PHE A 31 14.968 9.062 7.340 1.00 0.00 C ATOM 461 CG PHE A 31 15.759 7.841 7.723 1.00 0.00 C ATOM 462 CD1 PHE A 31 15.581 6.645 7.048 1.00 0.00 C ATOM 463 CD2 PHE A 31 16.681 7.892 8.757 1.00 0.00 C ATOM 464 CE1 PHE A 31 16.305 5.521 7.399 1.00 0.00 C ATOM 465 CE2 PHE A 31 17.408 6.772 9.112 1.00 0.00 C ATOM 466 CZ PHE A 31 17.220 5.586 8.431 1.00 0.00 C ATOM 0 H PHE A 31 13.408 10.957 7.022 1.00 0.00 H new ATOM 0 HA PHE A 31 13.039 8.152 7.159 1.00 0.00 H new ATOM 0 HB2 PHE A 31 15.055 9.217 6.265 1.00 0.00 H new ATOM 0 HB3 PHE A 31 15.406 9.934 7.825 1.00 0.00 H new ATOM 0 HD1 PHE A 31 14.869 6.590 6.238 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.833 8.818 9.291 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.155 4.593 6.867 1.00 0.00 H new ATOM 0 HE2 PHE A 31 18.122 6.824 9.921 1.00 0.00 H new ATOM 0 HZ PHE A 31 17.788 4.710 8.705 1.00 0.00 H new ATOM 476 N ASN A 32 12.988 7.471 9.541 1.00 0.00 N ATOM 477 CA ASN A 32 12.715 7.085 10.923 1.00 0.00 C ATOM 478 C ASN A 32 11.558 7.910 11.477 1.00 0.00 C ATOM 479 O ASN A 32 11.752 8.871 12.225 1.00 0.00 O ATOM 480 CB ASN A 32 13.959 7.235 11.809 1.00 0.00 C ATOM 481 CG ASN A 32 13.712 6.788 13.237 1.00 0.00 C ATOM 482 OD1 ASN A 32 12.904 5.893 13.489 1.00 0.00 O ATOM 483 ND2 ASN A 32 14.405 7.407 14.182 1.00 0.00 N ATOM 0 H ASN A 32 12.899 6.708 8.870 1.00 0.00 H new ATOM 0 HA ASN A 32 12.436 6.031 10.930 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.776 6.651 11.385 1.00 0.00 H new ATOM 0 HB3 ASN A 32 14.278 8.277 11.808 1.00 0.00 H new ATOM 0 HD21 ASN A 32 14.279 7.147 15.160 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.065 8.143 13.931 1.00 0.00 H new ATOM 490 N GLU A 33 10.358 7.548 11.060 1.00 0.00 N ATOM 491 CA GLU A 33 9.153 8.251 11.454 1.00 0.00 C ATOM 492 C GLU A 33 7.963 7.299 11.393 1.00 0.00 C ATOM 493 O GLU A 33 7.698 6.698 10.352 1.00 0.00 O ATOM 494 CB GLU A 33 8.944 9.460 10.534 1.00 0.00 C ATOM 495 CG GLU A 33 7.648 10.215 10.760 1.00 0.00 C ATOM 496 CD GLU A 33 7.546 11.447 9.883 1.00 0.00 C ATOM 497 OE1 GLU A 33 7.265 11.305 8.675 1.00 0.00 O ATOM 498 OE2 GLU A 33 7.763 12.565 10.397 1.00 0.00 O ATOM 0 H GLU A 33 10.193 6.757 10.438 1.00 0.00 H new ATOM 0 HA GLU A 33 9.249 8.611 12.478 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.778 10.149 10.668 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.974 9.120 9.499 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.804 9.555 10.557 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.578 10.509 11.807 1.00 0.00 H new ATOM 505 N ALA A 34 7.282 7.132 12.521 1.00 0.00 N ATOM 506 CA ALA A 34 6.144 6.223 12.606 1.00 0.00 C ATOM 507 C ALA A 34 4.987 6.714 11.745 1.00 0.00 C ATOM 508 O ALA A 34 4.458 7.809 11.961 1.00 0.00 O ATOM 509 CB ALA A 34 5.699 6.061 14.051 1.00 0.00 C ATOM 0 H ALA A 34 7.499 7.616 13.392 1.00 0.00 H new ATOM 0 HA ALA A 34 6.459 5.251 12.227 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.849 5.380 14.096 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.521 5.656 14.641 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.408 7.031 14.453 1.00 0.00 H new ATOM 515 N TYR A 35 4.594 5.897 10.780 1.00 0.00 N ATOM 516 CA TYR A 35 3.546 6.268 9.840 1.00 0.00 C ATOM 517 C TYR A 35 2.323 5.370 9.990 1.00 0.00 C ATOM 518 O TYR A 35 2.331 4.415 10.768 1.00 0.00 O ATOM 519 CB TYR A 35 4.068 6.184 8.399 1.00 0.00 C ATOM 520 CG TYR A 35 4.499 4.791 7.978 1.00 0.00 C ATOM 521 CD1 TYR A 35 5.801 4.358 8.170 1.00 0.00 C ATOM 522 CD2 TYR A 35 3.598 3.911 7.390 1.00 0.00 C ATOM 523 CE1 TYR A 35 6.195 3.088 7.794 1.00 0.00 C ATOM 524 CE2 TYR A 35 3.984 2.640 7.009 1.00 0.00 C ATOM 525 CZ TYR A 35 5.283 2.234 7.215 1.00 0.00 C ATOM 526 OH TYR A 35 5.674 0.967 6.845 1.00 0.00 O ATOM 0 H TYR A 35 4.987 4.968 10.626 1.00 0.00 H new ATOM 0 HA TYR A 35 3.252 7.294 10.062 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.289 6.533 7.721 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.913 6.863 8.290 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.521 5.025 8.621 1.00 0.00 H new ATOM 0 HD2 TYR A 35 2.578 4.226 7.228 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.214 2.767 7.954 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.271 1.969 6.552 1.00 0.00 H new ATOM 0 HH TYR A 35 4.881 0.415 6.679 1.00 0.00 H new ATOM 536 N ASN A 36 1.281 5.695 9.238 1.00 0.00 N ATOM 537 CA ASN A 36 0.080 4.873 9.161 1.00 0.00 C ATOM 538 C ASN A 36 -0.299 4.660 7.703 1.00 0.00 C ATOM 539 O ASN A 36 -0.110 5.550 6.870 1.00 0.00 O ATOM 540 CB ASN A 36 -1.091 5.529 9.898 1.00 0.00 C ATOM 541 CG ASN A 36 -1.046 5.321 11.401 1.00 0.00 C ATOM 542 OD1 ASN A 36 -0.565 4.300 11.892 1.00 0.00 O ATOM 543 ND2 ASN A 36 -1.553 6.292 12.142 1.00 0.00 N ATOM 0 H ASN A 36 1.244 6.537 8.663 1.00 0.00 H new ATOM 0 HA ASN A 36 0.293 3.916 9.637 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.092 6.598 9.686 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.027 5.126 9.510 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.554 6.210 13.159 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.943 7.123 11.697 1.00 0.00 H new ATOM 550 N VAL A 37 -0.825 3.489 7.391 1.00 0.00 N ATOM 551 CA VAL A 37 -1.237 3.180 6.030 1.00 0.00 C ATOM 552 C VAL A 37 -2.717 3.494 5.833 1.00 0.00 C ATOM 553 O VAL A 37 -3.575 2.924 6.508 1.00 0.00 O ATOM 554 CB VAL A 37 -0.961 1.703 5.679 1.00 0.00 C ATOM 555 CG1 VAL A 37 -1.493 1.358 4.295 1.00 0.00 C ATOM 556 CG2 VAL A 37 0.529 1.418 5.756 1.00 0.00 C ATOM 0 H VAL A 37 -0.978 2.735 8.061 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.648 3.805 5.359 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.482 1.078 6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.284 0.311 4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.569 1.527 4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.007 1.989 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.713 0.373 5.507 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.059 2.058 5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.886 1.618 6.766 1.00 0.00 H new ATOM 566 N PRO A 38 -3.026 4.428 4.920 1.00 0.00 N ATOM 567 CA PRO A 38 -4.404 4.820 4.613 1.00 0.00 C ATOM 568 C PRO A 38 -5.197 3.682 3.977 1.00 0.00 C ATOM 569 O PRO A 38 -4.751 3.062 3.008 1.00 0.00 O ATOM 570 CB PRO A 38 -4.247 5.982 3.621 1.00 0.00 C ATOM 571 CG PRO A 38 -2.827 6.418 3.750 1.00 0.00 C ATOM 572 CD PRO A 38 -2.055 5.187 4.122 1.00 0.00 C ATOM 0 HA PRO A 38 -4.956 5.091 5.513 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.470 5.663 2.603 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.932 6.796 3.857 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.461 6.841 2.815 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -2.723 7.190 4.512 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.731 4.631 3.242 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.160 5.428 4.695 1.00 0.00 H new ATOM 580 N MET A 39 -6.371 3.416 4.526 1.00 0.00 N ATOM 581 CA MET A 39 -7.221 2.345 4.034 1.00 0.00 C ATOM 582 C MET A 39 -8.320 2.897 3.132 1.00 0.00 C ATOM 583 O MET A 39 -9.317 3.442 3.608 1.00 0.00 O ATOM 584 CB MET A 39 -7.838 1.576 5.208 1.00 0.00 C ATOM 585 CG MET A 39 -8.739 0.424 4.786 1.00 0.00 C ATOM 586 SD MET A 39 -9.491 -0.425 6.191 1.00 0.00 S ATOM 587 CE MET A 39 -8.033 -1.037 7.036 1.00 0.00 C ATOM 0 H MET A 39 -6.758 3.930 5.317 1.00 0.00 H new ATOM 0 HA MET A 39 -6.606 1.662 3.448 1.00 0.00 H new ATOM 0 HB2 MET A 39 -7.036 1.186 5.836 1.00 0.00 H new ATOM 0 HB3 MET A 39 -8.414 2.269 5.821 1.00 0.00 H new ATOM 0 HG2 MET A 39 -9.525 0.804 4.133 1.00 0.00 H new ATOM 0 HG3 MET A 39 -8.158 -0.291 4.203 1.00 0.00 H new ATOM 0 HE1 MET A 39 -8.316 -1.845 7.711 1.00 0.00 H new ATOM 0 HE2 MET A 39 -7.317 -1.410 6.303 1.00 0.00 H new ATOM 0 HE3 MET A 39 -7.578 -0.229 7.609 1.00 0.00 H new ATOM 597 N LYS A 40 -8.121 2.781 1.828 1.00 0.00 N ATOM 598 CA LYS A 40 -9.137 3.184 0.864 1.00 0.00 C ATOM 599 C LYS A 40 -10.112 2.041 0.639 1.00 0.00 C ATOM 600 O LYS A 40 -9.700 0.892 0.511 1.00 0.00 O ATOM 601 CB LYS A 40 -8.502 3.577 -0.469 1.00 0.00 C ATOM 602 CG LYS A 40 -7.622 4.810 -0.399 1.00 0.00 C ATOM 603 CD LYS A 40 -6.995 5.099 -1.750 1.00 0.00 C ATOM 604 CE LYS A 40 -6.139 6.354 -1.720 1.00 0.00 C ATOM 605 NZ LYS A 40 -6.956 7.578 -1.512 1.00 0.00 N ATOM 0 H LYS A 40 -7.266 2.411 1.412 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.665 4.049 1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.907 2.740 -0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.293 3.750 -1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.213 5.667 -0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.840 4.663 0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.384 4.250 -2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.780 5.213 -2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.401 6.271 -0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.588 6.440 -2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.365 8.420 -1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.749 7.584 -2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.326 7.587 -0.540 1.00 0.00 H new ATOM 619 N LYS A 41 -11.398 2.346 0.588 1.00 0.00 N ATOM 620 CA LYS A 41 -12.397 1.312 0.378 1.00 0.00 C ATOM 621 C LYS A 41 -13.218 1.611 -0.866 1.00 0.00 C ATOM 622 O LYS A 41 -13.923 2.619 -0.936 1.00 0.00 O ATOM 623 CB LYS A 41 -13.320 1.183 1.591 1.00 0.00 C ATOM 624 CG LYS A 41 -14.084 -0.133 1.630 1.00 0.00 C ATOM 625 CD LYS A 41 -15.045 -0.184 2.806 1.00 0.00 C ATOM 626 CE LYS A 41 -15.521 -1.601 3.082 1.00 0.00 C ATOM 627 NZ LYS A 41 -14.390 -2.528 3.357 1.00 0.00 N ATOM 0 H LYS A 41 -11.772 3.290 0.688 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.873 0.366 0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.728 1.278 2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.032 2.008 1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.638 -0.261 0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.380 -0.962 1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.555 0.215 3.694 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.904 0.455 2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.200 -1.595 3.935 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.088 -1.966 2.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.664 -3.198 4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.152 -3.052 2.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.562 -1.982 3.669 1.00 0.00 H new ATOM 641 N ILE A 42 -13.099 0.739 -1.851 1.00 0.00 N ATOM 642 CA ILE A 42 -13.864 0.854 -3.082 1.00 0.00 C ATOM 643 C ILE A 42 -15.158 0.053 -2.935 1.00 0.00 C ATOM 644 O ILE A 42 -15.243 -0.803 -2.055 1.00 0.00 O ATOM 645 CB ILE A 42 -13.039 0.337 -4.288 1.00 0.00 C ATOM 646 CG1 ILE A 42 -11.655 0.993 -4.295 1.00 0.00 C ATOM 647 CG2 ILE A 42 -13.757 0.610 -5.607 1.00 0.00 C ATOM 648 CD1 ILE A 42 -10.759 0.519 -5.419 1.00 0.00 C ATOM 0 H ILE A 42 -12.473 -0.066 -1.822 1.00 0.00 H new ATOM 0 HA ILE A 42 -14.101 1.902 -3.266 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.925 -0.742 -4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.776 2.074 -4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.164 0.793 -3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -13.153 0.236 -6.434 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -14.724 0.106 -5.606 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -13.907 1.683 -5.724 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -9.797 1.028 -5.357 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.606 -0.557 -5.333 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -11.228 0.744 -6.377 1.00 0.00 H new ATOM 660 N LYS A 43 -16.158 0.359 -3.763 1.00 0.00 N ATOM 661 CA LYS A 43 -17.450 -0.334 -3.738 1.00 0.00 C ATOM 662 C LYS A 43 -17.288 -1.853 -3.666 1.00 0.00 C ATOM 663 O LYS A 43 -16.872 -2.491 -4.633 1.00 0.00 O ATOM 664 CB LYS A 43 -18.267 0.038 -4.984 1.00 0.00 C ATOM 665 CG LYS A 43 -19.438 -0.898 -5.258 1.00 0.00 C ATOM 666 CD LYS A 43 -20.166 -0.525 -6.539 1.00 0.00 C ATOM 667 CE LYS A 43 -21.096 -1.639 -7.006 1.00 0.00 C ATOM 668 NZ LYS A 43 -22.171 -1.936 -6.020 1.00 0.00 N ATOM 0 H LYS A 43 -16.097 1.093 -4.469 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.974 -0.013 -2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.646 1.053 -4.868 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -17.607 0.041 -5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -19.075 -1.923 -5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.135 -0.865 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.742 0.386 -6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -19.438 -0.307 -7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.548 -1.356 -7.957 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -20.513 -2.542 -7.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -22.815 -2.652 -6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -21.747 -2.297 -5.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.704 -1.067 -5.815 1.00 0.00 H new ATOM 682 N GLY A 44 -17.601 -2.419 -2.505 1.00 0.00 N ATOM 683 CA GLY A 44 -17.611 -3.856 -2.362 1.00 0.00 C ATOM 684 C GLY A 44 -16.222 -4.456 -2.346 1.00 0.00 C ATOM 685 O GLY A 44 -15.920 -5.361 -3.126 1.00 0.00 O ATOM 0 H GLY A 44 -17.848 -1.903 -1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -18.126 -4.121 -1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -18.181 -4.294 -3.182 1.00 0.00 H new ATOM 689 N TYR A 45 -15.380 -3.968 -1.448 1.00 0.00 N ATOM 690 CA TYR A 45 -14.040 -4.515 -1.293 1.00 0.00 C ATOM 691 C TYR A 45 -13.675 -4.664 0.174 1.00 0.00 C ATOM 692 O TYR A 45 -13.568 -3.682 0.915 1.00 0.00 O ATOM 693 CB TYR A 45 -13.001 -3.660 -2.021 1.00 0.00 C ATOM 694 CG TYR A 45 -12.958 -3.917 -3.511 1.00 0.00 C ATOM 695 CD1 TYR A 45 -12.342 -5.056 -4.016 1.00 0.00 C ATOM 696 CD2 TYR A 45 -13.543 -3.035 -4.408 1.00 0.00 C ATOM 697 CE1 TYR A 45 -12.307 -5.305 -5.373 1.00 0.00 C ATOM 698 CE2 TYR A 45 -13.516 -3.278 -5.768 1.00 0.00 C ATOM 699 CZ TYR A 45 -12.895 -4.413 -6.246 1.00 0.00 C ATOM 700 OH TYR A 45 -12.867 -4.659 -7.599 1.00 0.00 O ATOM 0 H TYR A 45 -15.599 -3.197 -0.817 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.039 -5.506 -1.747 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.220 -2.607 -1.846 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.016 -3.856 -1.596 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -11.883 -5.758 -3.335 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -14.027 -2.144 -4.037 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.822 -6.193 -5.750 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -13.979 -2.583 -6.453 1.00 0.00 H new ATOM 0 HH TYR A 45 -13.326 -3.934 -8.073 1.00 0.00 H new ATOM 710 N THR A 46 -13.500 -5.908 0.578 1.00 0.00 N ATOM 711 CA THR A 46 -13.115 -6.247 1.935 1.00 0.00 C ATOM 712 C THR A 46 -11.614 -6.505 1.996 1.00 0.00 C ATOM 713 O THR A 46 -11.064 -7.148 1.108 1.00 0.00 O ATOM 714 CB THR A 46 -13.876 -7.508 2.402 1.00 0.00 C ATOM 715 OG1 THR A 46 -15.281 -7.229 2.488 1.00 0.00 O ATOM 716 CG2 THR A 46 -13.364 -8.008 3.744 1.00 0.00 C ATOM 0 H THR A 46 -13.622 -6.717 -0.031 1.00 0.00 H new ATOM 0 HA THR A 46 -13.366 -5.414 2.592 1.00 0.00 H new ATOM 0 HB THR A 46 -13.703 -8.293 1.665 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.757 -8.033 2.783 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.923 -8.896 4.039 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.306 -8.257 3.660 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.495 -7.230 4.496 1.00 0.00 H new ATOM 724 N LEU A 47 -10.945 -5.996 3.021 1.00 0.00 N ATOM 725 CA LEU A 47 -9.523 -6.259 3.181 1.00 0.00 C ATOM 726 C LEU A 47 -9.311 -7.734 3.474 1.00 0.00 C ATOM 727 O LEU A 47 -9.743 -8.234 4.516 1.00 0.00 O ATOM 728 CB LEU A 47 -8.920 -5.410 4.304 1.00 0.00 C ATOM 729 CG LEU A 47 -7.405 -5.555 4.489 1.00 0.00 C ATOM 730 CD1 LEU A 47 -6.670 -5.214 3.203 1.00 0.00 C ATOM 731 CD2 LEU A 47 -6.922 -4.667 5.623 1.00 0.00 C ATOM 0 H LEU A 47 -11.357 -5.407 3.745 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.018 -5.991 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.148 -4.362 4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.411 -5.673 5.241 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.190 -6.593 4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.597 -5.324 3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.993 -5.888 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.892 -4.186 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.845 -4.782 5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.153 -3.627 5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.421 -4.955 6.548 1.00 0.00 H new ATOM 743 N LEU A 48 -8.672 -8.428 2.542 1.00 0.00 N ATOM 744 CA LEU A 48 -8.412 -9.849 2.695 1.00 0.00 C ATOM 745 C LEU A 48 -7.539 -10.076 3.918 1.00 0.00 C ATOM 746 O LEU A 48 -7.918 -10.814 4.829 1.00 0.00 O ATOM 747 CB LEU A 48 -7.734 -10.401 1.436 1.00 0.00 C ATOM 748 CG LEU A 48 -7.418 -11.899 1.458 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.686 -12.717 1.631 1.00 0.00 C ATOM 750 CD2 LEU A 48 -6.703 -12.305 0.182 1.00 0.00 C ATOM 0 H LEU A 48 -8.324 -8.027 1.671 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.356 -10.377 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -8.376 -10.196 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.805 -9.854 1.276 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.764 -12.097 2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.436 -13.778 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.168 -12.447 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.366 -12.514 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.484 -13.372 0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.339 -12.088 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.771 -11.746 0.093 1.00 0.00 H new ATOM 762 N LYS A 49 -6.395 -9.394 3.939 1.00 0.00 N ATOM 763 CA LYS A 49 -5.443 -9.472 5.043 1.00 0.00 C ATOM 764 C LYS A 49 -4.137 -8.813 4.630 1.00 0.00 C ATOM 765 O LYS A 49 -3.754 -8.864 3.462 1.00 0.00 O ATOM 766 CB LYS A 49 -5.157 -10.929 5.437 1.00 0.00 C ATOM 767 CG LYS A 49 -4.641 -11.091 6.858 1.00 0.00 C ATOM 768 CD LYS A 49 -4.356 -12.547 7.186 1.00 0.00 C ATOM 769 CE LYS A 49 -2.912 -12.923 6.893 1.00 0.00 C ATOM 770 NZ LYS A 49 -1.984 -12.410 7.938 1.00 0.00 N ATOM 0 H LYS A 49 -6.102 -8.770 3.187 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.880 -8.959 5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.071 -11.512 5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.425 -11.346 4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.731 -10.504 6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.376 -10.696 7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.573 -12.731 8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.022 -13.187 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.824 -14.008 6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.622 -12.523 5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.065 -12.888 7.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.855 -11.385 7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.384 -12.598 8.880 1.00 0.00 H new ATOM 784 N TYR A 50 -3.471 -8.176 5.576 1.00 0.00 N ATOM 785 CA TYR A 50 -2.119 -7.701 5.351 1.00 0.00 C ATOM 786 C TYR A 50 -1.195 -8.379 6.356 1.00 0.00 C ATOM 787 O TYR A 50 -1.300 -8.165 7.562 1.00 0.00 O ATOM 788 CB TYR A 50 -2.030 -6.165 5.433 1.00 0.00 C ATOM 789 CG TYR A 50 -2.388 -5.570 6.779 1.00 0.00 C ATOM 790 CD1 TYR A 50 -3.713 -5.397 7.154 1.00 0.00 C ATOM 791 CD2 TYR A 50 -1.397 -5.176 7.668 1.00 0.00 C ATOM 792 CE1 TYR A 50 -4.040 -4.850 8.380 1.00 0.00 C ATOM 793 CE2 TYR A 50 -1.714 -4.630 8.894 1.00 0.00 C ATOM 794 CZ TYR A 50 -3.036 -4.468 9.246 1.00 0.00 C ATOM 795 OH TYR A 50 -3.356 -3.926 10.471 1.00 0.00 O ATOM 0 H TYR A 50 -3.843 -7.976 6.504 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.807 -7.963 4.340 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.015 -5.862 5.178 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.690 -5.738 4.678 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.500 -5.694 6.477 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.359 -5.299 7.395 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.076 -4.722 8.659 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.930 -4.331 9.574 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.534 -3.712 10.959 1.00 0.00 H new ATOM 805 N ASP A 51 -0.339 -9.254 5.860 1.00 0.00 N ATOM 806 CA ASP A 51 0.536 -10.024 6.727 1.00 0.00 C ATOM 807 C ASP A 51 1.707 -9.172 7.186 1.00 0.00 C ATOM 808 O ASP A 51 2.179 -9.294 8.318 1.00 0.00 O ATOM 809 CB ASP A 51 1.043 -11.267 6.000 1.00 0.00 C ATOM 810 CG ASP A 51 1.449 -12.364 6.957 1.00 0.00 C ATOM 811 OD1 ASP A 51 0.566 -13.137 7.373 1.00 0.00 O ATOM 812 OD2 ASP A 51 2.648 -12.463 7.295 1.00 0.00 O ATOM 0 H ASP A 51 -0.231 -9.449 4.865 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.032 -10.338 7.602 1.00 0.00 H new ATOM 0 HB2 ASP A 51 0.265 -11.639 5.334 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.895 -10.998 5.376 1.00 0.00 H new ATOM 817 N SER A 52 2.164 -8.304 6.297 1.00 0.00 N ATOM 818 CA SER A 52 3.237 -7.380 6.610 1.00 0.00 C ATOM 819 C SER A 52 2.724 -6.277 7.532 1.00 0.00 C ATOM 820 O SER A 52 1.855 -5.493 7.150 1.00 0.00 O ATOM 821 CB SER A 52 3.792 -6.778 5.318 1.00 0.00 C ATOM 822 OG SER A 52 4.094 -7.794 4.370 1.00 0.00 O ATOM 0 H SER A 52 1.804 -8.222 5.346 1.00 0.00 H new ATOM 0 HA SER A 52 4.036 -7.917 7.121 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.065 -6.085 4.894 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.691 -6.202 5.538 1.00 0.00 H new ATOM 0 HG SER A 52 4.446 -7.384 3.552 1.00 0.00 H new ATOM 828 N GLU A 53 3.247 -6.246 8.751 1.00 0.00 N ATOM 829 CA GLU A 53 2.855 -5.245 9.740 1.00 0.00 C ATOM 830 C GLU A 53 3.131 -3.834 9.227 1.00 0.00 C ATOM 831 O GLU A 53 4.259 -3.511 8.846 1.00 0.00 O ATOM 832 CB GLU A 53 3.607 -5.490 11.046 1.00 0.00 C ATOM 833 CG GLU A 53 3.289 -6.833 11.679 1.00 0.00 C ATOM 834 CD GLU A 53 4.323 -7.255 12.696 1.00 0.00 C ATOM 835 OE1 GLU A 53 4.208 -6.857 13.873 1.00 0.00 O ATOM 836 OE2 GLU A 53 5.259 -7.991 12.322 1.00 0.00 O ATOM 0 H GLU A 53 3.949 -6.907 9.082 1.00 0.00 H new ATOM 0 HA GLU A 53 1.784 -5.334 9.919 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.679 -5.430 10.857 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.363 -4.696 11.752 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.312 -6.782 12.159 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.221 -7.591 10.899 1.00 0.00 H new ATOM 843 N ILE A 54 2.098 -3.000 9.230 1.00 0.00 N ATOM 844 CA ILE A 54 2.203 -1.648 8.696 1.00 0.00 C ATOM 845 C ILE A 54 2.666 -0.671 9.772 1.00 0.00 C ATOM 846 O ILE A 54 3.065 0.455 9.475 1.00 0.00 O ATOM 847 CB ILE A 54 0.858 -1.160 8.107 1.00 0.00 C ATOM 848 CG1 ILE A 54 -0.223 -1.107 9.192 1.00 0.00 C ATOM 849 CG2 ILE A 54 0.426 -2.065 6.961 1.00 0.00 C ATOM 850 CD1 ILE A 54 -1.552 -0.568 8.705 1.00 0.00 C ATOM 0 H ILE A 54 1.176 -3.237 9.597 1.00 0.00 H new ATOM 0 HA ILE A 54 2.942 -1.681 7.895 1.00 0.00 H new ATOM 0 HB ILE A 54 0.996 -0.151 7.719 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.373 -2.110 9.592 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.131 -0.486 10.015 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.522 -1.711 6.555 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.185 -2.048 6.178 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.305 -3.084 7.328 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.266 -0.561 9.529 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.418 0.447 8.332 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.930 -1.202 7.903 1.00 0.00 H new ATOM 862 N LEU A 55 2.604 -1.109 11.021 1.00 0.00 N ATOM 863 CA LEU A 55 3.043 -0.287 12.139 1.00 0.00 C ATOM 864 C LEU A 55 4.566 -0.237 12.194 1.00 0.00 C ATOM 865 O LEU A 55 5.217 -1.217 12.566 1.00 0.00 O ATOM 866 CB LEU A 55 2.483 -0.836 13.455 1.00 0.00 C ATOM 867 CG LEU A 55 2.814 -0.009 14.701 1.00 0.00 C ATOM 868 CD1 LEU A 55 2.174 1.368 14.614 1.00 0.00 C ATOM 869 CD2 LEU A 55 2.357 -0.735 15.958 1.00 0.00 C ATOM 0 H LEU A 55 2.254 -2.030 11.286 1.00 0.00 H new ATOM 0 HA LEU A 55 2.666 0.725 11.995 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.399 -0.912 13.366 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.863 -1.848 13.599 1.00 0.00 H new ATOM 0 HG LEU A 55 3.895 0.120 14.753 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.420 1.941 15.508 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.550 1.889 13.734 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.092 1.262 14.538 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.600 -0.134 16.834 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.280 -0.895 15.915 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.864 -1.698 16.027 1.00 0.00 H new ATOM 881 N GLY A 56 5.132 0.895 11.805 1.00 0.00 N ATOM 882 CA GLY A 56 6.570 1.051 11.839 1.00 0.00 C ATOM 883 C GLY A 56 7.010 2.423 11.380 1.00 0.00 C ATOM 884 O GLY A 56 6.191 3.339 11.258 1.00 0.00 O ATOM 0 H GLY A 56 4.620 1.709 11.466 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.928 0.878 12.854 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.030 0.293 11.205 1.00 0.00 H new ATOM 888 N VAL A 57 8.302 2.564 11.121 1.00 0.00 N ATOM 889 CA VAL A 57 8.867 3.831 10.679 1.00 0.00 C ATOM 890 C VAL A 57 9.224 3.773 9.196 1.00 0.00 C ATOM 891 O VAL A 57 9.413 2.689 8.645 1.00 0.00 O ATOM 892 CB VAL A 57 10.126 4.204 11.495 1.00 0.00 C ATOM 893 CG1 VAL A 57 9.774 4.396 12.962 1.00 0.00 C ATOM 894 CG2 VAL A 57 11.212 3.148 11.340 1.00 0.00 C ATOM 0 H VAL A 57 8.983 1.810 11.210 1.00 0.00 H new ATOM 0 HA VAL A 57 8.109 4.597 10.840 1.00 0.00 H new ATOM 0 HB VAL A 57 10.513 5.145 11.105 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.673 4.658 13.521 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.040 5.196 13.058 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.356 3.471 13.360 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.086 3.436 11.925 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.839 2.187 11.695 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.490 3.064 10.289 1.00 0.00 H new ATOM 904 N PHE A 58 9.281 4.939 8.555 1.00 0.00 N ATOM 905 CA PHE A 58 9.649 5.025 7.142 1.00 0.00 C ATOM 906 C PHE A 58 11.003 4.382 6.875 1.00 0.00 C ATOM 907 O PHE A 58 12.001 4.704 7.527 1.00 0.00 O ATOM 908 CB PHE A 58 9.670 6.482 6.668 1.00 0.00 C ATOM 909 CG PHE A 58 8.307 7.070 6.447 1.00 0.00 C ATOM 910 CD1 PHE A 58 7.646 6.870 5.246 1.00 0.00 C ATOM 911 CD2 PHE A 58 7.692 7.826 7.426 1.00 0.00 C ATOM 912 CE1 PHE A 58 6.393 7.410 5.031 1.00 0.00 C ATOM 913 CE2 PHE A 58 6.439 8.370 7.217 1.00 0.00 C ATOM 914 CZ PHE A 58 5.790 8.163 6.016 1.00 0.00 C ATOM 0 H PHE A 58 9.077 5.838 8.992 1.00 0.00 H new ATOM 0 HA PHE A 58 8.891 4.478 6.582 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.200 7.086 7.405 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.236 6.543 5.739 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.116 6.285 4.469 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.197 7.994 8.366 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.886 7.243 4.092 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.968 8.956 7.992 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.812 8.590 5.849 1.00 0.00 H new ATOM 924 N THR A 59 11.017 3.467 5.921 1.00 0.00 N ATOM 925 CA THR A 59 12.223 2.762 5.531 1.00 0.00 C ATOM 926 C THR A 59 13.083 3.642 4.616 1.00 0.00 C ATOM 927 O THR A 59 12.582 4.595 4.020 1.00 0.00 O ATOM 928 CB THR A 59 11.850 1.459 4.800 1.00 0.00 C ATOM 929 OG1 THR A 59 10.617 0.948 5.331 1.00 0.00 O ATOM 930 CG2 THR A 59 12.938 0.409 4.963 1.00 0.00 C ATOM 0 H THR A 59 10.188 3.192 5.394 1.00 0.00 H new ATOM 0 HA THR A 59 12.796 2.523 6.427 1.00 0.00 H new ATOM 0 HB THR A 59 11.739 1.682 3.739 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.467 0.040 4.994 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.648 -0.500 4.437 1.00 0.00 H new ATOM 0 HG22 THR A 59 13.873 0.786 4.548 1.00 0.00 H new ATOM 0 HG23 THR A 59 13.074 0.188 6.022 1.00 0.00 H new ATOM 938 N GLU A 60 14.370 3.320 4.510 1.00 0.00 N ATOM 939 CA GLU A 60 15.279 4.089 3.661 1.00 0.00 C ATOM 940 C GLU A 60 15.272 3.523 2.241 1.00 0.00 C ATOM 941 O GLU A 60 15.942 4.030 1.339 1.00 0.00 O ATOM 942 CB GLU A 60 16.697 4.061 4.246 1.00 0.00 C ATOM 943 CG GLU A 60 17.666 5.011 3.560 1.00 0.00 C ATOM 944 CD GLU A 60 19.056 4.963 4.157 1.00 0.00 C ATOM 945 OE1 GLU A 60 19.836 4.059 3.787 1.00 0.00 O ATOM 946 OE2 GLU A 60 19.379 5.832 4.995 1.00 0.00 O ATOM 0 H GLU A 60 14.806 2.537 4.998 1.00 0.00 H new ATOM 0 HA GLU A 60 14.941 5.125 3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.647 4.311 5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.088 3.046 4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.722 4.763 2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.281 6.028 3.629 1.00 0.00 H new ATOM 953 N SER A 61 14.510 2.464 2.054 1.00 0.00 N ATOM 954 CA SER A 61 14.354 1.847 0.752 1.00 0.00 C ATOM 955 C SER A 61 12.879 1.833 0.375 1.00 0.00 C ATOM 956 O SER A 61 12.021 1.709 1.252 1.00 0.00 O ATOM 957 CB SER A 61 14.912 0.424 0.783 1.00 0.00 C ATOM 958 OG SER A 61 16.211 0.401 1.350 1.00 0.00 O ATOM 0 H SER A 61 13.983 2.008 2.798 1.00 0.00 H new ATOM 0 HA SER A 61 14.906 2.419 0.006 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.248 -0.219 1.361 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.946 0.020 -0.229 1.00 0.00 H new ATOM 0 HG SER A 61 16.547 -0.520 1.361 1.00 0.00 H new ATOM 964 N PRO A 62 12.559 1.981 -0.923 1.00 0.00 N ATOM 965 CA PRO A 62 11.176 1.950 -1.403 1.00 0.00 C ATOM 966 C PRO A 62 10.468 0.656 -1.010 1.00 0.00 C ATOM 967 O PRO A 62 10.725 -0.406 -1.580 1.00 0.00 O ATOM 968 CB PRO A 62 11.303 2.058 -2.929 1.00 0.00 C ATOM 969 CG PRO A 62 12.736 1.762 -3.229 1.00 0.00 C ATOM 970 CD PRO A 62 13.513 2.196 -2.020 1.00 0.00 C ATOM 0 HA PRO A 62 10.578 2.752 -0.969 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.642 1.350 -3.429 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.026 3.053 -3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.882 0.700 -3.425 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.067 2.299 -4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 62 14.420 1.605 -1.889 1.00 0.00 H new ATOM 0 HD3 PRO A 62 13.820 3.240 -2.090 1.00 0.00 H new ATOM 978 N GLN A 63 9.594 0.753 -0.026 1.00 0.00 N ATOM 979 CA GLN A 63 8.925 -0.411 0.527 1.00 0.00 C ATOM 980 C GLN A 63 7.509 -0.532 -0.014 1.00 0.00 C ATOM 981 O GLN A 63 6.660 0.317 0.255 1.00 0.00 O ATOM 982 CB GLN A 63 8.903 -0.316 2.051 1.00 0.00 C ATOM 983 CG GLN A 63 8.203 -1.476 2.737 1.00 0.00 C ATOM 984 CD GLN A 63 8.197 -1.333 4.245 1.00 0.00 C ATOM 985 OE1 GLN A 63 9.104 -1.804 4.929 1.00 0.00 O ATOM 986 NE2 GLN A 63 7.175 -0.678 4.773 1.00 0.00 N ATOM 0 H GLN A 63 9.328 1.635 0.411 1.00 0.00 H new ATOM 0 HA GLN A 63 9.476 -1.303 0.230 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.929 -0.259 2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.410 0.613 2.339 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.177 -1.543 2.376 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.698 -2.408 2.465 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.443 -0.303 4.170 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.119 -0.548 5.783 1.00 0.00 H new ATOM 995 N THR A 64 7.263 -1.576 -0.785 1.00 0.00 N ATOM 996 CA THR A 64 5.942 -1.830 -1.329 1.00 0.00 C ATOM 997 C THR A 64 5.123 -2.681 -0.361 1.00 0.00 C ATOM 998 O THR A 64 5.531 -3.783 0.009 1.00 0.00 O ATOM 999 CB THR A 64 6.041 -2.536 -2.694 1.00 0.00 C ATOM 1000 OG1 THR A 64 6.891 -1.777 -3.568 1.00 0.00 O ATOM 1001 CG2 THR A 64 4.665 -2.695 -3.329 1.00 0.00 C ATOM 0 H THR A 64 7.966 -2.266 -1.050 1.00 0.00 H new ATOM 0 HA THR A 64 5.442 -0.871 -1.469 1.00 0.00 H new ATOM 0 HB THR A 64 6.463 -3.529 -2.538 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.955 -2.228 -4.436 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.764 -3.196 -4.292 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.029 -3.290 -2.674 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.216 -1.713 -3.476 1.00 0.00 H new ATOM 1009 N ILE A 65 3.983 -2.157 0.068 1.00 0.00 N ATOM 1010 CA ILE A 65 3.100 -2.878 0.973 1.00 0.00 C ATOM 1011 C ILE A 65 1.881 -3.393 0.216 1.00 0.00 C ATOM 1012 O ILE A 65 1.148 -2.613 -0.401 1.00 0.00 O ATOM 1013 CB ILE A 65 2.639 -1.991 2.153 1.00 0.00 C ATOM 1014 CG1 ILE A 65 3.853 -1.445 2.913 1.00 0.00 C ATOM 1015 CG2 ILE A 65 1.733 -2.780 3.092 1.00 0.00 C ATOM 1016 CD1 ILE A 65 3.489 -0.546 4.077 1.00 0.00 C ATOM 0 H ILE A 65 3.647 -1.231 -0.198 1.00 0.00 H new ATOM 0 HA ILE A 65 3.664 -3.717 1.381 1.00 0.00 H new ATOM 0 HB ILE A 65 2.072 -1.150 1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.445 -2.282 3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.485 -0.889 2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.418 -2.140 3.916 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.856 -3.126 2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.277 -3.639 3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.399 -0.198 4.566 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.923 0.311 3.712 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.883 -1.103 4.791 1.00 0.00 H new ATOM 1028 N ASN A 66 1.680 -4.701 0.259 1.00 0.00 N ATOM 1029 CA ASN A 66 0.589 -5.334 -0.470 1.00 0.00 C ATOM 1030 C ASN A 66 -0.705 -5.298 0.332 1.00 0.00 C ATOM 1031 O ASN A 66 -0.917 -6.107 1.235 1.00 0.00 O ATOM 1032 CB ASN A 66 0.942 -6.783 -0.822 1.00 0.00 C ATOM 1033 CG ASN A 66 1.961 -6.893 -1.942 1.00 0.00 C ATOM 1034 OD1 ASN A 66 2.755 -5.982 -2.178 1.00 0.00 O ATOM 1035 ND2 ASN A 66 1.963 -8.025 -2.629 1.00 0.00 N ATOM 0 H ASN A 66 2.260 -5.348 0.793 1.00 0.00 H new ATOM 0 HA ASN A 66 0.439 -4.771 -1.391 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.331 -7.282 0.066 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.034 -7.312 -1.112 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.637 -8.164 -3.382 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.290 -8.758 -2.406 1.00 0.00 H new ATOM 1042 N ILE A 67 -1.559 -4.340 0.008 1.00 0.00 N ATOM 1043 CA ILE A 67 -2.878 -4.258 0.610 1.00 0.00 C ATOM 1044 C ILE A 67 -3.882 -4.943 -0.309 1.00 0.00 C ATOM 1045 O ILE A 67 -4.311 -4.376 -1.310 1.00 0.00 O ATOM 1046 CB ILE A 67 -3.302 -2.790 0.855 1.00 0.00 C ATOM 1047 CG1 ILE A 67 -2.295 -2.088 1.773 1.00 0.00 C ATOM 1048 CG2 ILE A 67 -4.702 -2.722 1.450 1.00 0.00 C ATOM 1049 CD1 ILE A 67 -2.156 -2.731 3.140 1.00 0.00 C ATOM 0 H ILE A 67 -1.360 -3.606 -0.672 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.850 -4.757 1.579 1.00 0.00 H new ATOM 0 HB ILE A 67 -3.315 -2.275 -0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.320 -2.079 1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.598 -1.049 1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.978 -1.680 1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.412 -3.182 0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.720 -3.255 2.401 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.426 -2.177 3.730 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.120 -2.716 3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.822 -3.762 3.025 1.00 0.00 H new ATOM 1061 N ILE A 68 -4.226 -6.177 0.021 1.00 0.00 N ATOM 1062 CA ILE A 68 -5.048 -6.999 -0.855 1.00 0.00 C ATOM 1063 C ILE A 68 -6.526 -6.897 -0.481 1.00 0.00 C ATOM 1064 O ILE A 68 -6.910 -7.169 0.659 1.00 0.00 O ATOM 1065 CB ILE A 68 -4.605 -8.476 -0.797 1.00 0.00 C ATOM 1066 CG1 ILE A 68 -3.116 -8.597 -1.134 1.00 0.00 C ATOM 1067 CG2 ILE A 68 -5.436 -9.321 -1.753 1.00 0.00 C ATOM 1068 CD1 ILE A 68 -2.574 -10.007 -1.015 1.00 0.00 C ATOM 0 H ILE A 68 -3.949 -6.633 0.890 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.915 -6.625 -1.870 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.765 -8.846 0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.953 -8.240 -2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.549 -7.943 -0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.109 -10.359 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.488 -9.256 -1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.306 -8.953 -2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.514 -10.012 -1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.704 -10.362 0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.114 -10.663 -1.698 1.00 0.00 H new ATOM 1080 N TYR A 69 -7.344 -6.503 -1.444 1.00 0.00 N ATOM 1081 CA TYR A 69 -8.778 -6.398 -1.233 1.00 0.00 C ATOM 1082 C TYR A 69 -9.517 -7.512 -1.952 1.00 0.00 C ATOM 1083 O TYR A 69 -9.244 -7.812 -3.111 1.00 0.00 O ATOM 1084 CB TYR A 69 -9.307 -5.043 -1.702 1.00 0.00 C ATOM 1085 CG TYR A 69 -8.953 -3.904 -0.780 1.00 0.00 C ATOM 1086 CD1 TYR A 69 -9.249 -3.970 0.574 1.00 0.00 C ATOM 1087 CD2 TYR A 69 -8.329 -2.762 -1.260 1.00 0.00 C ATOM 1088 CE1 TYR A 69 -8.931 -2.933 1.426 1.00 0.00 C ATOM 1089 CE2 TYR A 69 -8.010 -1.719 -0.415 1.00 0.00 C ATOM 1090 CZ TYR A 69 -8.313 -1.810 0.926 1.00 0.00 C ATOM 1091 OH TYR A 69 -7.998 -0.772 1.769 1.00 0.00 O ATOM 0 H TYR A 69 -7.037 -6.250 -2.383 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.956 -6.491 -0.162 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.911 -4.832 -2.695 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.391 -5.099 -1.797 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.737 -4.849 0.968 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.089 -2.688 -2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.165 -3.002 2.478 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -7.525 -0.835 -0.803 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.514 0.022 1.517 1.00 0.00 H new ATOM 1101 N GLN A 70 -10.455 -8.110 -1.248 1.00 0.00 N ATOM 1102 CA GLN A 70 -11.270 -9.178 -1.785 1.00 0.00 C ATOM 1103 C GLN A 70 -12.623 -8.622 -2.209 1.00 0.00 C ATOM 1104 O GLN A 70 -13.258 -7.888 -1.447 1.00 0.00 O ATOM 1105 CB GLN A 70 -11.456 -10.260 -0.720 1.00 0.00 C ATOM 1106 CG GLN A 70 -12.209 -11.486 -1.203 1.00 0.00 C ATOM 1107 CD GLN A 70 -12.539 -12.438 -0.072 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -11.829 -12.507 0.930 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -13.622 -13.179 -0.223 1.00 0.00 N ATOM 0 H GLN A 70 -10.674 -7.867 -0.282 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.778 -9.614 -2.654 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.476 -10.569 -0.357 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.989 -9.831 0.128 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -13.131 -11.174 -1.694 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.611 -12.007 -1.951 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.185 -13.093 -1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.895 -13.837 0.506 1.00 0.00 H new ATOM 1118 N LYS A 71 -13.041 -8.941 -3.431 1.00 0.00 N ATOM 1119 CA LYS A 71 -14.362 -8.541 -3.914 1.00 0.00 C ATOM 1120 C LYS A 71 -15.455 -8.998 -2.951 1.00 0.00 C ATOM 1121 O LYS A 71 -15.714 -10.192 -2.794 1.00 0.00 O ATOM 1122 CB LYS A 71 -14.638 -9.064 -5.334 1.00 0.00 C ATOM 1123 CG LYS A 71 -13.888 -10.337 -5.707 1.00 0.00 C ATOM 1124 CD LYS A 71 -12.863 -10.060 -6.798 1.00 0.00 C ATOM 1125 CE LYS A 71 -11.975 -11.264 -7.066 1.00 0.00 C ATOM 1126 NZ LYS A 71 -10.948 -10.971 -8.102 1.00 0.00 N ATOM 0 H LYS A 71 -12.488 -9.473 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.372 -7.452 -3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -15.708 -9.247 -5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.378 -8.284 -6.050 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.389 -10.741 -4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.594 -11.094 -6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.378 -9.778 -7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.244 -9.211 -6.507 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.483 -11.566 -6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.589 -12.104 -7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.092 -11.530 -7.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.321 -11.219 -9.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.712 -9.958 -8.080 1.00 0.00 H new ATOM 1140 N LYS A 72 -16.078 -8.016 -2.315 1.00 0.00 N ATOM 1141 CA LYS A 72 -17.079 -8.239 -1.277 1.00 0.00 C ATOM 1142 C LYS A 72 -18.376 -8.784 -1.866 1.00 0.00 C ATOM 1143 O LYS A 72 -19.073 -9.568 -1.221 1.00 0.00 O ATOM 1144 CB LYS A 72 -17.332 -6.908 -0.568 1.00 0.00 C ATOM 1145 CG LYS A 72 -18.376 -6.935 0.528 1.00 0.00 C ATOM 1146 CD LYS A 72 -18.691 -5.518 0.976 1.00 0.00 C ATOM 1147 CE LYS A 72 -19.643 -5.481 2.154 1.00 0.00 C ATOM 1148 NZ LYS A 72 -20.946 -6.139 1.863 1.00 0.00 N ATOM 0 H LYS A 72 -15.902 -7.030 -2.506 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.711 -8.982 -0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.392 -6.561 -0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -17.634 -6.172 -1.313 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -19.282 -7.422 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -18.014 -7.521 1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.764 -5.011 1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -19.126 -4.965 0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -19.176 -5.971 3.008 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -19.820 -4.444 2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -21.588 -6.011 2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -21.369 -5.712 1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -20.793 -7.155 1.700 1.00 0.00 H new