USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 667 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 72 HIS : no HD1:sc= -0.754 K(o=-2.3,f=-5.4) USER MOD Set 1.2: A 87 LYS NZ :NH3+ -170:sc= -1.52 (180deg=-2.05!) USER MOD Set 2.1: A 10 ASN : amide:sc= 0.186 X(o=0.19,f=0.61) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0.00566 USER MOD Set 3.1: A 55 HIS : no HD1:sc= -4.26! C(o=-5.6!,f=-8.2!) USER MOD Set 3.2: A 65 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 9 LYS NZ :NH3+ 141:sc= -2.72! (180deg=-5.15!) USER MOD Single : A 13 MET CE :methyl 136:sc= -3.88! (180deg=-6.93!) USER MOD Single : A 14 SER OG : rot -86:sc= 0.694 USER MOD Single : A 17 MET CE :methyl -111:sc= -2.1 (180deg=-8.12!) USER MOD Single : A 18 GLN : amide:sc= -3.8! C(o=-3.8!,f=-2.9!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 CYS SG : rot 64:sc= -1.09 USER MOD Single : A 26 THR OG1 : rot 64:sc= 1.24 USER MOD Single : A 27 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.6!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc=-0.00109 USER MOD Single : A 33 ASN : amide:sc= -3.15 K(o=-3.1,f=-3.8!) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0377 (180deg=-0.245) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 139:sc= -2.74! (180deg=-5.51!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot -141:sc= -2.96! USER MOD Single : A 61 ASN : amide:sc= -5.55! C(o=-5.5!,f=-5.3!) USER MOD Single : A 64 SER OG : rot 63:sc= 0.208 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-0.14) USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.54! USER MOD Single : A 71 LYS NZ :NH3+ 134:sc= 0.552 (180deg=-0.363) USER MOD Single : A 77 TYR OH : rot 180:sc= -0.389 USER MOD Single : A 80 GLN : amide:sc= -2.43! C(o=-2.4!,f=-1.9!) USER MOD Single : A 88 SER OG : rot 57:sc= 0.298 USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 6 7.835 8.024 3.722 1.00 0.00 N ATOM 90 CA ALA A 6 7.933 6.597 4.004 1.00 0.00 C ATOM 91 C ALA A 6 7.586 6.294 5.458 1.00 0.00 C ATOM 92 O ALA A 6 8.473 6.129 6.297 1.00 0.00 O ATOM 93 CB ALA A 6 9.331 6.092 3.678 1.00 0.00 C ATOM 0 HA ALA A 6 7.211 6.078 3.373 1.00 0.00 H new ATOM 0 HB1 ALA A 6 9.392 5.025 3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.542 6.262 2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.062 6.626 4.285 1.00 0.00 H new ATOM 99 N VAL A 7 6.292 6.219 5.752 1.00 0.00 N ATOM 100 CA VAL A 7 5.832 5.933 7.104 1.00 0.00 C ATOM 101 C VAL A 7 4.732 4.879 7.096 1.00 0.00 C ATOM 102 O VAL A 7 3.930 4.817 6.165 1.00 0.00 O ATOM 103 CB VAL A 7 5.297 7.202 7.796 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.932 6.914 9.243 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.315 8.330 7.707 1.00 0.00 C ATOM 0 H VAL A 7 5.544 6.352 5.071 1.00 0.00 H new ATOM 0 HA VAL A 7 6.693 5.558 7.658 1.00 0.00 H new ATOM 0 HB VAL A 7 4.392 7.519 7.277 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.557 7.824 9.712 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.162 6.144 9.278 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.816 6.568 9.779 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.919 9.217 8.201 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.240 8.025 8.196 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.516 8.557 6.660 1.00 0.00 H new ATOM 115 N ILE A 8 4.691 4.059 8.141 1.00 0.00 N ATOM 116 CA ILE A 8 3.677 3.018 8.253 1.00 0.00 C ATOM 117 C ILE A 8 2.860 3.193 9.529 1.00 0.00 C ATOM 118 O ILE A 8 3.373 3.029 10.635 1.00 0.00 O ATOM 119 CB ILE A 8 4.300 1.605 8.240 1.00 0.00 C ATOM 120 CG1 ILE A 8 5.098 1.386 6.950 1.00 0.00 C ATOM 121 CG2 ILE A 8 3.217 0.541 8.385 1.00 0.00 C ATOM 122 CD1 ILE A 8 5.597 -0.031 6.783 1.00 0.00 C ATOM 0 H ILE A 8 5.347 4.095 8.921 1.00 0.00 H new ATOM 0 HA ILE A 8 3.026 3.117 7.385 1.00 0.00 H new ATOM 0 HB ILE A 8 4.980 1.520 9.087 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.472 1.645 6.096 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.950 2.066 6.939 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.675 -0.448 8.374 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.689 0.686 9.327 1.00 0.00 H new ATOM 0 HG23 ILE A 8 2.512 0.624 7.558 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.153 -0.113 5.849 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.249 -0.288 7.618 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.749 -0.715 6.762 1.00 0.00 H new ATOM 134 N LYS A 9 1.583 3.522 9.365 1.00 0.00 N ATOM 135 CA LYS A 9 0.693 3.716 10.502 1.00 0.00 C ATOM 136 C LYS A 9 0.469 2.402 11.242 1.00 0.00 C ATOM 137 O LYS A 9 0.490 2.359 12.472 1.00 0.00 O ATOM 138 CB LYS A 9 -0.650 4.284 10.037 1.00 0.00 C ATOM 139 CG LYS A 9 -0.531 5.621 9.321 1.00 0.00 C ATOM 140 CD LYS A 9 0.113 6.690 10.197 1.00 0.00 C ATOM 141 CE LYS A 9 -0.792 7.111 11.348 1.00 0.00 C ATOM 142 NZ LYS A 9 -0.925 6.052 12.387 1.00 0.00 N ATOM 0 H LYS A 9 1.142 3.660 8.456 1.00 0.00 H new ATOM 0 HA LYS A 9 1.163 4.425 11.183 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.128 3.566 9.371 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.304 4.401 10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.059 5.494 8.414 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.522 5.955 9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.054 6.312 10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 9 0.352 7.561 9.588 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.394 8.017 11.806 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.779 7.358 10.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.930 6.490 13.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.814 5.533 12.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.124 5.393 12.316 1.00 0.00 H new ATOM 156 N ASN A 10 0.257 1.333 10.483 1.00 0.00 N ATOM 157 CA ASN A 10 0.028 0.018 11.067 1.00 0.00 C ATOM 158 C ASN A 10 0.266 -1.082 10.042 1.00 0.00 C ATOM 159 O ASN A 10 -0.123 -0.953 8.882 1.00 0.00 O ATOM 160 CB ASN A 10 -1.398 -0.078 11.607 1.00 0.00 C ATOM 161 CG ASN A 10 -1.665 -1.397 12.305 1.00 0.00 C ATOM 162 OD1 ASN A 10 -1.004 -1.738 13.286 1.00 0.00 O ATOM 163 ND2 ASN A 10 -2.638 -2.148 11.802 1.00 0.00 N ATOM 0 H ASN A 10 0.239 1.352 9.463 1.00 0.00 H new ATOM 0 HA ASN A 10 0.733 -0.115 11.887 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.575 0.741 12.304 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.104 0.044 10.785 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.862 -3.046 12.230 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.161 -1.827 10.987 1.00 0.00 H new ATOM 170 N ALA A 11 0.904 -2.161 10.474 1.00 0.00 N ATOM 171 CA ALA A 11 1.188 -3.278 9.585 1.00 0.00 C ATOM 172 C ALA A 11 0.938 -4.614 10.274 1.00 0.00 C ATOM 173 O ALA A 11 1.814 -5.142 10.960 1.00 0.00 O ATOM 174 CB ALA A 11 2.622 -3.200 9.086 1.00 0.00 C ATOM 0 H ALA A 11 1.234 -2.286 11.431 1.00 0.00 H new ATOM 0 HA ALA A 11 0.511 -3.211 8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.822 -4.041 8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.768 -2.266 8.543 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.305 -3.237 9.935 1.00 0.00 H new ATOM 180 N ASP A 12 -0.255 -5.164 10.075 1.00 0.00 N ATOM 181 CA ASP A 12 -0.608 -6.447 10.669 1.00 0.00 C ATOM 182 C ASP A 12 -0.030 -7.599 9.847 1.00 0.00 C ATOM 183 O ASP A 12 -0.182 -8.767 10.208 1.00 0.00 O ATOM 184 CB ASP A 12 -2.129 -6.586 10.773 1.00 0.00 C ATOM 185 CG ASP A 12 -2.551 -7.912 11.376 1.00 0.00 C ATOM 186 OD1 ASP A 12 -2.162 -8.191 12.529 1.00 0.00 O ATOM 187 OD2 ASP A 12 -3.274 -8.670 10.695 1.00 0.00 O ATOM 0 H ASP A 12 -0.991 -4.743 9.509 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.182 -6.488 11.671 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.524 -5.772 11.381 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.569 -6.485 9.781 1.00 0.00 H new ATOM 192 N MET A 13 0.642 -7.262 8.748 1.00 0.00 N ATOM 193 CA MET A 13 1.250 -8.264 7.887 1.00 0.00 C ATOM 194 C MET A 13 2.645 -8.613 8.401 1.00 0.00 C ATOM 195 O MET A 13 3.199 -7.894 9.232 1.00 0.00 O ATOM 196 CB MET A 13 1.318 -7.743 6.445 1.00 0.00 C ATOM 197 CG MET A 13 1.864 -8.755 5.449 1.00 0.00 C ATOM 198 SD MET A 13 0.860 -10.250 5.356 1.00 0.00 S ATOM 199 CE MET A 13 -0.712 -9.569 4.835 1.00 0.00 C ATOM 0 H MET A 13 0.777 -6.300 8.436 1.00 0.00 H new ATOM 0 HA MET A 13 0.640 -9.167 7.899 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.319 -7.441 6.131 1.00 0.00 H new ATOM 0 HB3 MET A 13 1.943 -6.850 6.421 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.917 -8.295 4.462 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.882 -9.023 5.731 1.00 0.00 H new ATOM 0 HE1 MET A 13 -1.136 -10.193 4.049 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.395 -9.540 5.684 1.00 0.00 H new ATOM 0 HE3 MET A 13 -0.563 -8.558 4.455 1.00 0.00 H new ATOM 209 N SER A 14 3.204 -9.720 7.911 1.00 0.00 N ATOM 210 CA SER A 14 4.534 -10.174 8.328 1.00 0.00 C ATOM 211 C SER A 14 5.485 -9.001 8.570 1.00 0.00 C ATOM 212 O SER A 14 5.694 -8.585 9.709 1.00 0.00 O ATOM 213 CB SER A 14 5.122 -11.116 7.275 1.00 0.00 C ATOM 214 OG SER A 14 5.249 -10.467 6.022 1.00 0.00 O ATOM 0 H SER A 14 2.755 -10.322 7.221 1.00 0.00 H new ATOM 0 HA SER A 14 4.420 -10.708 9.271 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.099 -11.470 7.605 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.483 -11.993 7.170 1.00 0.00 H new ATOM 0 HG SER A 14 4.403 -10.534 5.532 1.00 0.00 H new ATOM 220 N GLU A 15 6.053 -8.477 7.493 1.00 0.00 N ATOM 221 CA GLU A 15 6.983 -7.353 7.575 1.00 0.00 C ATOM 222 C GLU A 15 7.531 -7.023 6.194 1.00 0.00 C ATOM 223 O GLU A 15 7.737 -5.856 5.850 1.00 0.00 O ATOM 224 CB GLU A 15 8.138 -7.674 8.528 1.00 0.00 C ATOM 225 CG GLU A 15 8.935 -8.904 8.126 1.00 0.00 C ATOM 226 CD GLU A 15 10.071 -9.202 9.083 1.00 0.00 C ATOM 227 OE1 GLU A 15 9.795 -9.428 10.280 1.00 0.00 O ATOM 228 OE2 GLU A 15 11.238 -9.209 8.637 1.00 0.00 O ATOM 0 H GLU A 15 5.886 -8.813 6.545 1.00 0.00 H new ATOM 0 HA GLU A 15 6.442 -6.490 7.962 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.809 -6.816 8.574 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.739 -7.822 9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.268 -9.765 8.080 1.00 0.00 H new ATOM 0 HG3 GLU A 15 9.338 -8.759 7.124 1.00 0.00 H new ATOM 235 N ASP A 16 7.758 -8.064 5.402 1.00 0.00 N ATOM 236 CA ASP A 16 8.274 -7.898 4.052 1.00 0.00 C ATOM 237 C ASP A 16 7.362 -6.988 3.238 1.00 0.00 C ATOM 238 O ASP A 16 7.801 -6.354 2.278 1.00 0.00 O ATOM 239 CB ASP A 16 8.412 -9.258 3.365 1.00 0.00 C ATOM 240 CG ASP A 16 8.979 -9.145 1.962 1.00 0.00 C ATOM 241 OD1 ASP A 16 8.346 -8.478 1.117 1.00 0.00 O ATOM 242 OD2 ASP A 16 10.057 -9.723 1.708 1.00 0.00 O ATOM 0 H ASP A 16 7.592 -9.033 5.674 1.00 0.00 H new ATOM 0 HA ASP A 16 9.259 -7.435 4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.058 -9.900 3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.435 -9.740 3.321 1.00 0.00 H new ATOM 247 N MET A 17 6.092 -6.918 3.630 1.00 0.00 N ATOM 248 CA MET A 17 5.134 -6.071 2.931 1.00 0.00 C ATOM 249 C MET A 17 5.283 -4.626 3.372 1.00 0.00 C ATOM 250 O MET A 17 5.025 -3.705 2.604 1.00 0.00 O ATOM 251 CB MET A 17 3.696 -6.555 3.153 1.00 0.00 C ATOM 252 CG MET A 17 3.402 -7.918 2.540 1.00 0.00 C ATOM 253 SD MET A 17 4.253 -9.268 3.379 1.00 0.00 S ATOM 254 CE MET A 17 3.671 -10.675 2.435 1.00 0.00 C ATOM 0 H MET A 17 5.707 -7.434 4.421 1.00 0.00 H new ATOM 0 HA MET A 17 5.347 -6.135 1.864 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.499 -6.599 4.224 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.007 -5.822 2.732 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.328 -8.099 2.570 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.695 -7.909 1.490 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.010 -11.281 3.055 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.126 -10.325 1.559 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.522 -11.277 2.116 1.00 0.00 H new ATOM 264 N GLN A 18 5.736 -4.427 4.599 1.00 0.00 N ATOM 265 CA GLN A 18 5.961 -3.086 5.098 1.00 0.00 C ATOM 266 C GLN A 18 7.079 -2.452 4.288 1.00 0.00 C ATOM 267 O GLN A 18 6.961 -1.323 3.806 1.00 0.00 O ATOM 268 CB GLN A 18 6.315 -3.138 6.584 1.00 0.00 C ATOM 269 CG GLN A 18 5.129 -3.509 7.458 1.00 0.00 C ATOM 270 CD GLN A 18 5.527 -3.896 8.865 1.00 0.00 C ATOM 271 OE1 GLN A 18 6.158 -3.122 9.585 1.00 0.00 O ATOM 272 NE2 GLN A 18 5.154 -5.107 9.263 1.00 0.00 N ATOM 0 H GLN A 18 5.953 -5.172 5.261 1.00 0.00 H new ATOM 0 HA GLN A 18 5.059 -2.483 4.993 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.115 -3.863 6.737 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.701 -2.167 6.895 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.439 -2.666 7.501 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.591 -4.338 6.998 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.632 -5.713 8.630 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.390 -5.431 10.201 1.00 0.00 H new ATOM 281 N GLN A 19 8.155 -3.211 4.114 1.00 0.00 N ATOM 282 CA GLN A 19 9.297 -2.750 3.341 1.00 0.00 C ATOM 283 C GLN A 19 9.021 -2.837 1.843 1.00 0.00 C ATOM 284 O GLN A 19 9.467 -1.982 1.072 1.00 0.00 O ATOM 285 CB GLN A 19 10.542 -3.567 3.691 1.00 0.00 C ATOM 286 CG GLN A 19 10.940 -3.471 5.155 1.00 0.00 C ATOM 287 CD GLN A 19 12.180 -4.285 5.476 1.00 0.00 C ATOM 288 OE1 GLN A 19 12.202 -5.502 5.295 1.00 0.00 O ATOM 289 NE2 GLN A 19 13.220 -3.614 5.956 1.00 0.00 N ATOM 0 H GLN A 19 8.258 -4.150 4.500 1.00 0.00 H new ATOM 0 HA GLN A 19 9.472 -1.705 3.596 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.363 -4.612 3.439 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.374 -3.228 3.074 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.119 -2.427 5.412 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.113 -3.815 5.776 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.158 -2.605 6.090 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.081 -4.108 6.191 1.00 0.00 H new ATOM 298 N ASP A 20 8.281 -3.863 1.427 1.00 0.00 N ATOM 299 CA ASP A 20 7.963 -4.029 0.014 1.00 0.00 C ATOM 300 C ASP A 20 6.970 -2.966 -0.431 1.00 0.00 C ATOM 301 O ASP A 20 7.210 -2.244 -1.396 1.00 0.00 O ATOM 302 CB ASP A 20 7.402 -5.426 -0.255 1.00 0.00 C ATOM 303 CG ASP A 20 7.158 -5.674 -1.731 1.00 0.00 C ATOM 304 OD1 ASP A 20 8.124 -5.575 -2.517 1.00 0.00 O ATOM 305 OD2 ASP A 20 6.004 -5.974 -2.101 1.00 0.00 O ATOM 0 H ASP A 20 7.896 -4.582 2.040 1.00 0.00 H new ATOM 0 HA ASP A 20 8.882 -3.913 -0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.097 -6.174 0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.467 -5.551 0.292 1.00 0.00 H new ATOM 310 N ALA A 21 5.862 -2.871 0.289 1.00 0.00 N ATOM 311 CA ALA A 21 4.827 -1.891 -0.017 1.00 0.00 C ATOM 312 C ALA A 21 5.410 -0.487 -0.091 1.00 0.00 C ATOM 313 O ALA A 21 5.177 0.240 -1.057 1.00 0.00 O ATOM 314 CB ALA A 21 3.716 -1.949 1.020 1.00 0.00 C ATOM 0 H ALA A 21 5.655 -3.463 1.093 1.00 0.00 H new ATOM 0 HA ALA A 21 4.408 -2.136 -0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.952 -1.211 0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.272 -2.944 1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.127 -1.733 2.006 1.00 0.00 H new ATOM 320 N VAL A 22 6.179 -0.105 0.929 1.00 0.00 N ATOM 321 CA VAL A 22 6.792 1.217 0.953 1.00 0.00 C ATOM 322 C VAL A 22 7.611 1.466 -0.311 1.00 0.00 C ATOM 323 O VAL A 22 7.458 2.499 -0.963 1.00 0.00 O ATOM 324 CB VAL A 22 7.686 1.406 2.197 1.00 0.00 C ATOM 325 CG1 VAL A 22 8.424 2.737 2.140 1.00 0.00 C ATOM 326 CG2 VAL A 22 6.853 1.314 3.466 1.00 0.00 C ATOM 0 H VAL A 22 6.389 -0.687 1.740 1.00 0.00 H new ATOM 0 HA VAL A 22 5.980 1.943 0.998 1.00 0.00 H new ATOM 0 HB VAL A 22 8.428 0.608 2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.047 2.846 3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.052 2.767 1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.702 3.552 2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.497 1.449 4.335 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.089 2.091 3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.375 0.336 3.517 1.00 0.00 H new ATOM 336 N ASP A 23 8.480 0.520 -0.659 1.00 0.00 N ATOM 337 CA ASP A 23 9.306 0.662 -1.852 1.00 0.00 C ATOM 338 C ASP A 23 8.471 0.512 -3.115 1.00 0.00 C ATOM 339 O ASP A 23 8.800 1.083 -4.152 1.00 0.00 O ATOM 340 CB ASP A 23 10.449 -0.355 -1.847 1.00 0.00 C ATOM 341 CG ASP A 23 11.397 -0.156 -0.680 1.00 0.00 C ATOM 342 OD1 ASP A 23 11.976 0.945 -0.568 1.00 0.00 O ATOM 343 OD2 ASP A 23 11.562 -1.101 0.118 1.00 0.00 O ATOM 0 H ASP A 23 8.629 -0.344 -0.137 1.00 0.00 H new ATOM 0 HA ASP A 23 9.735 1.664 -1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.035 -1.362 -1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.006 -0.276 -2.781 1.00 0.00 H new ATOM 348 N CYS A 24 7.376 -0.232 -3.023 1.00 0.00 N ATOM 349 CA CYS A 24 6.498 -0.405 -4.168 1.00 0.00 C ATOM 350 C CYS A 24 5.753 0.892 -4.426 1.00 0.00 C ATOM 351 O CYS A 24 5.480 1.251 -5.571 1.00 0.00 O ATOM 352 CB CYS A 24 5.513 -1.553 -3.942 1.00 0.00 C ATOM 353 SG CYS A 24 6.276 -3.192 -3.918 1.00 0.00 S ATOM 0 H CYS A 24 7.079 -0.719 -2.177 1.00 0.00 H new ATOM 0 HA CYS A 24 7.102 -0.659 -5.039 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.996 -1.392 -2.996 1.00 0.00 H new ATOM 0 HB3 CYS A 24 4.757 -1.528 -4.727 1.00 0.00 H new ATOM 0 HG CYS A 24 7.097 -3.274 -2.913 1.00 0.00 H new ATOM 359 N ALA A 25 5.453 1.609 -3.347 1.00 0.00 N ATOM 360 CA ALA A 25 4.768 2.885 -3.449 1.00 0.00 C ATOM 361 C ALA A 25 5.763 3.983 -3.819 1.00 0.00 C ATOM 362 O ALA A 25 5.393 4.992 -4.419 1.00 0.00 O ATOM 363 CB ALA A 25 4.061 3.217 -2.143 1.00 0.00 C ATOM 0 H ALA A 25 5.675 1.324 -2.393 1.00 0.00 H new ATOM 0 HA ALA A 25 4.015 2.818 -4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.553 4.177 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.330 2.440 -1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.793 3.272 -1.337 1.00 0.00 H new ATOM 369 N THR A 26 7.034 3.768 -3.471 1.00 0.00 N ATOM 370 CA THR A 26 8.081 4.732 -3.782 1.00 0.00 C ATOM 371 C THR A 26 8.499 4.591 -5.238 1.00 0.00 C ATOM 372 O THR A 26 8.621 5.580 -5.961 1.00 0.00 O ATOM 373 CB THR A 26 9.288 4.526 -2.864 1.00 0.00 C ATOM 374 OG1 THR A 26 8.915 4.676 -1.506 1.00 0.00 O ATOM 375 CG2 THR A 26 10.419 5.492 -3.139 1.00 0.00 C ATOM 0 H THR A 26 7.358 2.937 -2.976 1.00 0.00 H new ATOM 0 HA THR A 26 7.691 5.737 -3.620 1.00 0.00 H new ATOM 0 HB THR A 26 9.638 3.514 -3.068 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.269 3.980 -1.265 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.243 5.292 -2.454 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.762 5.367 -4.166 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.068 6.514 -2.995 1.00 0.00 H new ATOM 383 N GLN A 27 8.699 3.349 -5.668 1.00 0.00 N ATOM 384 CA GLN A 27 9.085 3.072 -7.045 1.00 0.00 C ATOM 385 C GLN A 27 7.896 3.274 -7.978 1.00 0.00 C ATOM 386 O GLN A 27 8.066 3.556 -9.165 1.00 0.00 O ATOM 387 CB GLN A 27 9.620 1.645 -7.176 1.00 0.00 C ATOM 388 CG GLN A 27 10.865 1.381 -6.344 1.00 0.00 C ATOM 389 CD GLN A 27 12.036 2.258 -6.749 1.00 0.00 C ATOM 390 OE1 GLN A 27 11.965 3.484 -6.670 1.00 0.00 O ATOM 391 NE2 GLN A 27 13.121 1.630 -7.186 1.00 0.00 N ATOM 0 H GLN A 27 8.600 2.520 -5.082 1.00 0.00 H new ATOM 0 HA GLN A 27 9.876 3.767 -7.327 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.839 0.945 -6.878 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.845 1.445 -8.224 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.637 1.550 -5.292 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.149 0.333 -6.444 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.136 0.611 -7.235 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.940 2.166 -7.473 1.00 0.00 H new ATOM 400 N ALA A 28 6.689 3.135 -7.433 1.00 0.00 N ATOM 401 CA ALA A 28 5.475 3.312 -8.219 1.00 0.00 C ATOM 402 C ALA A 28 5.258 4.783 -8.555 1.00 0.00 C ATOM 403 O ALA A 28 5.086 5.144 -9.718 1.00 0.00 O ATOM 404 CB ALA A 28 4.272 2.756 -7.471 1.00 0.00 C ATOM 0 H ALA A 28 6.528 2.901 -6.453 1.00 0.00 H new ATOM 0 HA ALA A 28 5.590 2.761 -9.153 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.373 2.896 -8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.420 1.693 -7.283 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.159 3.280 -6.522 1.00 0.00 H new ATOM 410 N MET A 29 5.267 5.626 -7.528 1.00 0.00 N ATOM 411 CA MET A 29 5.072 7.059 -7.715 1.00 0.00 C ATOM 412 C MET A 29 6.311 7.707 -8.332 1.00 0.00 C ATOM 413 O MET A 29 6.231 8.790 -8.910 1.00 0.00 O ATOM 414 CB MET A 29 4.742 7.731 -6.380 1.00 0.00 C ATOM 415 CG MET A 29 3.469 7.207 -5.736 1.00 0.00 C ATOM 416 SD MET A 29 3.099 8.018 -4.170 1.00 0.00 S ATOM 417 CE MET A 29 1.579 7.187 -3.709 1.00 0.00 C ATOM 0 H MET A 29 5.407 5.342 -6.558 1.00 0.00 H new ATOM 0 HA MET A 29 4.235 7.196 -8.400 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.575 7.584 -5.692 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.645 8.805 -6.537 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.634 7.351 -6.421 1.00 0.00 H new ATOM 0 HG3 MET A 29 3.565 6.134 -5.571 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.223 7.581 -2.757 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.824 7.357 -4.477 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.764 6.117 -3.613 1.00 0.00 H new ATOM 427 N GLU A 30 7.454 7.039 -8.207 1.00 0.00 N ATOM 428 CA GLU A 30 8.701 7.555 -8.756 1.00 0.00 C ATOM 429 C GLU A 30 8.765 7.323 -10.262 1.00 0.00 C ATOM 430 O GLU A 30 9.036 8.244 -11.032 1.00 0.00 O ATOM 431 CB GLU A 30 9.899 6.891 -8.073 1.00 0.00 C ATOM 432 CG GLU A 30 11.244 7.369 -8.600 1.00 0.00 C ATOM 433 CD GLU A 30 11.444 8.859 -8.419 1.00 0.00 C ATOM 434 OE1 GLU A 30 11.419 9.325 -7.260 1.00 0.00 O ATOM 435 OE2 GLU A 30 11.629 9.562 -9.436 1.00 0.00 O ATOM 0 H GLU A 30 7.541 6.141 -7.731 1.00 0.00 H new ATOM 0 HA GLU A 30 8.737 8.628 -8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.849 7.085 -7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.829 5.811 -8.205 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.042 6.834 -8.086 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.324 7.121 -9.658 1.00 0.00 H new ATOM 442 N LYS A 31 8.511 6.085 -10.674 1.00 0.00 N ATOM 443 CA LYS A 31 8.538 5.730 -12.088 1.00 0.00 C ATOM 444 C LYS A 31 7.226 6.099 -12.773 1.00 0.00 C ATOM 445 O LYS A 31 7.182 6.286 -13.990 1.00 0.00 O ATOM 446 CB LYS A 31 8.814 4.235 -12.256 1.00 0.00 C ATOM 447 CG LYS A 31 8.879 3.788 -13.707 1.00 0.00 C ATOM 448 CD LYS A 31 9.156 2.297 -13.821 1.00 0.00 C ATOM 449 CE LYS A 31 9.228 1.854 -15.273 1.00 0.00 C ATOM 450 NZ LYS A 31 9.497 0.394 -15.395 1.00 0.00 N ATOM 0 H LYS A 31 8.284 5.311 -10.049 1.00 0.00 H new ATOM 0 HA LYS A 31 9.341 6.296 -12.560 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.757 3.991 -11.767 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.034 3.670 -11.745 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.937 4.023 -14.203 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.660 4.345 -14.225 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.095 2.061 -13.320 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.372 1.740 -13.308 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.289 2.093 -15.773 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.013 2.412 -15.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.539 0.132 -16.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.405 0.169 -14.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.735 -0.139 -14.929 1.00 0.00 H new ATOM 464 N TYR A 32 6.154 6.199 -11.990 1.00 0.00 N ATOM 465 CA TYR A 32 4.842 6.542 -12.532 1.00 0.00 C ATOM 466 C TYR A 32 4.182 7.646 -11.712 1.00 0.00 C ATOM 467 O TYR A 32 4.616 7.953 -10.602 1.00 0.00 O ATOM 468 CB TYR A 32 3.941 5.307 -12.565 1.00 0.00 C ATOM 469 CG TYR A 32 4.472 4.191 -13.439 1.00 0.00 C ATOM 470 CD1 TYR A 32 4.686 4.388 -14.796 1.00 0.00 C ATOM 471 CD2 TYR A 32 4.756 2.940 -12.904 1.00 0.00 C ATOM 472 CE1 TYR A 32 5.169 3.371 -15.598 1.00 0.00 C ATOM 473 CE2 TYR A 32 5.241 1.918 -13.698 1.00 0.00 C ATOM 474 CZ TYR A 32 5.444 2.139 -15.043 1.00 0.00 C ATOM 475 OH TYR A 32 5.926 1.123 -15.839 1.00 0.00 O ATOM 0 H TYR A 32 6.168 6.048 -10.981 1.00 0.00 H new ATOM 0 HA TYR A 32 4.984 6.907 -13.549 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.815 4.933 -11.549 1.00 0.00 H new ATOM 0 HB3 TYR A 32 2.953 5.598 -12.922 1.00 0.00 H new ATOM 0 HD1 TYR A 32 4.472 5.352 -15.233 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.595 2.764 -11.851 1.00 0.00 H new ATOM 0 HE1 TYR A 32 5.330 3.540 -16.652 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.460 0.952 -13.267 1.00 0.00 H new ATOM 0 HH TYR A 32 6.069 0.321 -15.295 1.00 0.00 H new ATOM 485 N ASN A 33 3.130 8.239 -12.268 1.00 0.00 N ATOM 486 CA ASN A 33 2.407 9.310 -11.590 1.00 0.00 C ATOM 487 C ASN A 33 0.974 9.413 -12.104 1.00 0.00 C ATOM 488 O ASN A 33 0.422 10.508 -12.217 1.00 0.00 O ATOM 489 CB ASN A 33 3.128 10.645 -11.789 1.00 0.00 C ATOM 490 CG ASN A 33 4.538 10.631 -11.230 1.00 0.00 C ATOM 491 OD1 ASN A 33 4.742 10.427 -10.034 1.00 0.00 O ATOM 492 ND2 ASN A 33 5.520 10.847 -12.098 1.00 0.00 N ATOM 0 H ASN A 33 2.759 7.996 -13.187 1.00 0.00 H new ATOM 0 HA ASN A 33 2.376 9.075 -10.526 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.164 10.880 -12.853 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.557 11.438 -11.307 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.490 10.848 -11.781 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.304 11.012 -13.081 1.00 0.00 H new ATOM 499 N ILE A 34 0.377 8.268 -12.417 1.00 0.00 N ATOM 500 CA ILE A 34 -0.991 8.230 -12.920 1.00 0.00 C ATOM 501 C ILE A 34 -1.987 7.902 -11.810 1.00 0.00 C ATOM 502 O ILE A 34 -3.197 8.014 -12.003 1.00 0.00 O ATOM 503 CB ILE A 34 -1.139 7.195 -14.050 1.00 0.00 C ATOM 504 CG1 ILE A 34 -0.089 7.447 -15.131 1.00 0.00 C ATOM 505 CG2 ILE A 34 -2.543 7.248 -14.640 1.00 0.00 C ATOM 506 CD1 ILE A 34 -0.209 6.526 -16.326 1.00 0.00 C ATOM 0 H ILE A 34 0.820 7.353 -12.331 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.210 9.224 -13.310 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.981 6.198 -13.638 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.171 8.480 -15.470 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.903 7.333 -14.694 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.631 6.510 -15.437 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.273 7.029 -13.861 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.731 8.243 -15.044 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.570 6.766 -17.050 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.096 5.492 -16.001 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.187 6.656 -16.789 1.00 0.00 H new ATOM 518 N GLU A 35 -1.470 7.495 -10.653 1.00 0.00 N ATOM 519 CA GLU A 35 -2.301 7.143 -9.499 1.00 0.00 C ATOM 520 C GLU A 35 -2.907 5.751 -9.662 1.00 0.00 C ATOM 521 O GLU A 35 -2.740 4.887 -8.803 1.00 0.00 O ATOM 522 CB GLU A 35 -3.413 8.176 -9.283 1.00 0.00 C ATOM 523 CG GLU A 35 -2.900 9.599 -9.135 1.00 0.00 C ATOM 524 CD GLU A 35 -1.961 9.760 -7.957 1.00 0.00 C ATOM 525 OE1 GLU A 35 -2.393 9.500 -6.814 1.00 0.00 O ATOM 526 OE2 GLU A 35 -0.794 10.147 -8.176 1.00 0.00 O ATOM 0 H GLU A 35 -0.468 7.399 -10.487 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.655 7.140 -8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.105 8.134 -10.124 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.979 7.908 -8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.384 9.892 -10.049 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.746 10.276 -9.016 1.00 0.00 H new ATOM 533 N LYS A 36 -3.611 5.538 -10.771 1.00 0.00 N ATOM 534 CA LYS A 36 -4.235 4.249 -11.040 1.00 0.00 C ATOM 535 C LYS A 36 -3.178 3.185 -11.307 1.00 0.00 C ATOM 536 O LYS A 36 -3.167 2.133 -10.668 1.00 0.00 O ATOM 537 CB LYS A 36 -5.188 4.354 -12.232 1.00 0.00 C ATOM 538 CG LYS A 36 -6.314 5.354 -12.026 1.00 0.00 C ATOM 539 CD LYS A 36 -7.228 5.421 -13.238 1.00 0.00 C ATOM 540 CE LYS A 36 -8.350 6.426 -13.036 1.00 0.00 C ATOM 541 NZ LYS A 36 -9.201 6.078 -11.865 1.00 0.00 N ATOM 0 H LYS A 36 -3.762 6.240 -11.495 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.806 3.957 -10.159 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.619 4.638 -13.117 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.617 3.372 -12.430 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.894 5.074 -11.147 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.894 6.341 -11.830 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.647 5.695 -14.118 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.652 4.435 -13.430 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.926 7.420 -12.894 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.967 6.467 -13.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.071 6.647 -11.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.446 5.068 -11.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.680 6.276 -10.987 1.00 0.00 H new ATOM 555 N ASP A 37 -2.282 3.471 -12.245 1.00 0.00 N ATOM 556 CA ASP A 37 -1.212 2.541 -12.583 1.00 0.00 C ATOM 557 C ASP A 37 -0.390 2.209 -11.343 1.00 0.00 C ATOM 558 O ASP A 37 0.227 1.146 -11.258 1.00 0.00 O ATOM 559 CB ASP A 37 -0.312 3.131 -13.670 1.00 0.00 C ATOM 560 CG ASP A 37 -1.066 3.411 -14.954 1.00 0.00 C ATOM 561 OD1 ASP A 37 -2.034 4.200 -14.916 1.00 0.00 O ATOM 562 OD2 ASP A 37 -0.688 2.841 -16.000 1.00 0.00 O ATOM 0 H ASP A 37 -2.275 4.337 -12.783 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.660 1.623 -12.964 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.135 4.056 -13.305 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.506 2.440 -13.875 1.00 0.00 H new ATOM 567 N ILE A 38 -0.396 3.126 -10.379 1.00 0.00 N ATOM 568 CA ILE A 38 0.335 2.936 -9.136 1.00 0.00 C ATOM 569 C ILE A 38 -0.256 1.778 -8.341 1.00 0.00 C ATOM 570 O ILE A 38 0.443 0.826 -7.995 1.00 0.00 O ATOM 571 CB ILE A 38 0.303 4.212 -8.270 1.00 0.00 C ATOM 572 CG1 ILE A 38 0.804 5.412 -9.076 1.00 0.00 C ATOM 573 CG2 ILE A 38 1.140 4.027 -7.011 1.00 0.00 C ATOM 574 CD1 ILE A 38 2.213 5.241 -9.600 1.00 0.00 C ATOM 0 H ILE A 38 -0.902 4.010 -10.438 1.00 0.00 H new ATOM 0 HA ILE A 38 1.370 2.711 -9.395 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.728 4.401 -7.970 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.131 5.582 -9.916 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.763 6.303 -8.449 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.105 4.938 -6.414 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.743 3.196 -6.429 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.173 3.815 -7.288 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.503 6.129 -10.162 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.898 5.101 -8.764 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.255 4.369 -10.253 1.00 0.00 H new ATOM 586 N ALA A 39 -1.554 1.863 -8.060 1.00 0.00 N ATOM 587 CA ALA A 39 -2.241 0.819 -7.311 1.00 0.00 C ATOM 588 C ALA A 39 -2.163 -0.517 -8.040 1.00 0.00 C ATOM 589 O ALA A 39 -2.276 -1.580 -7.426 1.00 0.00 O ATOM 590 CB ALA A 39 -3.691 1.208 -7.069 1.00 0.00 C ATOM 0 H ALA A 39 -2.149 2.643 -8.340 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.743 0.708 -6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.191 0.418 -6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.728 2.137 -6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.195 1.348 -8.025 1.00 0.00 H new ATOM 596 N ALA A 40 -1.961 -0.460 -9.353 1.00 0.00 N ATOM 597 CA ALA A 40 -1.862 -1.666 -10.164 1.00 0.00 C ATOM 598 C ALA A 40 -0.476 -2.277 -10.057 1.00 0.00 C ATOM 599 O ALA A 40 -0.331 -3.495 -9.993 1.00 0.00 O ATOM 600 CB ALA A 40 -2.201 -1.360 -11.616 1.00 0.00 C ATOM 0 H ALA A 40 -1.863 0.410 -9.877 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.582 -2.391 -9.786 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.122 -2.272 -12.208 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.218 -0.974 -11.678 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.506 -0.615 -12.003 1.00 0.00 H new ATOM 606 N TYR A 41 0.543 -1.432 -10.023 1.00 0.00 N ATOM 607 CA TYR A 41 1.911 -1.910 -9.906 1.00 0.00 C ATOM 608 C TYR A 41 2.135 -2.523 -8.530 1.00 0.00 C ATOM 609 O TYR A 41 2.970 -3.411 -8.361 1.00 0.00 O ATOM 610 CB TYR A 41 2.904 -0.772 -10.149 1.00 0.00 C ATOM 611 CG TYR A 41 4.351 -1.211 -10.104 1.00 0.00 C ATOM 612 CD1 TYR A 41 4.834 -2.165 -10.990 1.00 0.00 C ATOM 613 CD2 TYR A 41 5.233 -0.670 -9.176 1.00 0.00 C ATOM 614 CE1 TYR A 41 6.155 -2.569 -10.954 1.00 0.00 C ATOM 615 CE2 TYR A 41 6.556 -1.069 -9.133 1.00 0.00 C ATOM 616 CZ TYR A 41 7.011 -2.019 -10.024 1.00 0.00 C ATOM 617 OH TYR A 41 8.328 -2.417 -9.986 1.00 0.00 O ATOM 0 H TYR A 41 0.449 -0.418 -10.074 1.00 0.00 H new ATOM 0 HA TYR A 41 2.076 -2.675 -10.664 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.699 -0.324 -11.121 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.745 0.004 -9.400 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.166 -2.599 -11.720 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.879 0.074 -8.477 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.515 -3.312 -11.651 1.00 0.00 H new ATOM 0 HE2 TYR A 41 7.229 -0.639 -8.406 1.00 0.00 H new ATOM 0 HH TYR A 41 8.796 -1.933 -9.274 1.00 0.00 H new ATOM 627 N ILE A 42 1.366 -2.054 -7.553 1.00 0.00 N ATOM 628 CA ILE A 42 1.459 -2.566 -6.195 1.00 0.00 C ATOM 629 C ILE A 42 0.678 -3.866 -6.084 1.00 0.00 C ATOM 630 O ILE A 42 1.180 -4.869 -5.580 1.00 0.00 O ATOM 631 CB ILE A 42 0.913 -1.549 -5.172 1.00 0.00 C ATOM 632 CG1 ILE A 42 1.671 -0.225 -5.288 1.00 0.00 C ATOM 633 CG2 ILE A 42 1.019 -2.103 -3.759 1.00 0.00 C ATOM 634 CD1 ILE A 42 1.089 0.881 -4.435 1.00 0.00 C ATOM 0 H ILE A 42 0.671 -1.319 -7.679 1.00 0.00 H new ATOM 0 HA ILE A 42 2.511 -2.743 -5.972 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.140 -1.368 -5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.711 -0.385 -5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.672 0.094 -6.330 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.629 -1.372 -3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.441 -3.024 -3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.064 -2.311 -3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.676 1.790 -4.567 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.058 1.068 -4.736 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.113 0.583 -3.387 1.00 0.00 H new ATOM 646 N LYS A 43 -0.553 -3.842 -6.580 1.00 0.00 N ATOM 647 CA LYS A 43 -1.403 -5.019 -6.559 1.00 0.00 C ATOM 648 C LYS A 43 -0.837 -6.090 -7.484 1.00 0.00 C ATOM 649 O LYS A 43 -0.979 -7.284 -7.227 1.00 0.00 O ATOM 650 CB LYS A 43 -2.828 -4.657 -6.981 1.00 0.00 C ATOM 651 CG LYS A 43 -3.783 -5.839 -6.979 1.00 0.00 C ATOM 652 CD LYS A 43 -5.191 -5.422 -7.371 1.00 0.00 C ATOM 653 CE LYS A 43 -5.227 -4.822 -8.769 1.00 0.00 C ATOM 654 NZ LYS A 43 -6.604 -4.416 -9.163 1.00 0.00 N ATOM 0 H LYS A 43 -0.982 -3.018 -7.001 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.432 -5.410 -5.542 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.213 -3.889 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.803 -4.223 -7.981 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.422 -6.600 -7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.800 -6.292 -5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.853 -6.287 -7.328 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.570 -4.695 -6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.567 -3.955 -8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.843 -5.548 -9.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.586 -4.012 -10.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.228 -5.248 -9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.961 -3.704 -8.494 1.00 0.00 H new ATOM 668 N LYS A 44 -0.184 -5.654 -8.559 1.00 0.00 N ATOM 669 CA LYS A 44 0.408 -6.588 -9.510 1.00 0.00 C ATOM 670 C LYS A 44 1.752 -7.107 -9.004 1.00 0.00 C ATOM 671 O LYS A 44 2.147 -8.228 -9.319 1.00 0.00 O ATOM 672 CB LYS A 44 0.582 -5.929 -10.880 1.00 0.00 C ATOM 673 CG LYS A 44 -0.733 -5.671 -11.602 1.00 0.00 C ATOM 674 CD LYS A 44 -0.513 -4.934 -12.912 1.00 0.00 C ATOM 675 CE LYS A 44 -1.827 -4.676 -13.633 1.00 0.00 C ATOM 676 NZ LYS A 44 -1.623 -3.951 -14.918 1.00 0.00 N ATOM 0 H LYS A 44 -0.053 -4.669 -8.791 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.272 -7.434 -9.612 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.110 -4.984 -10.755 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.211 -6.565 -11.503 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.235 -6.619 -11.796 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.393 -5.087 -10.961 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.011 -3.986 -12.718 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.147 -5.518 -13.553 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.327 -5.625 -13.827 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.486 -4.094 -12.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.542 -3.795 -15.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.169 -3.034 -14.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.015 -4.517 -15.543 1.00 0.00 H new ATOM 690 N GLU A 45 2.446 -6.289 -8.218 1.00 0.00 N ATOM 691 CA GLU A 45 3.744 -6.674 -7.669 1.00 0.00 C ATOM 692 C GLU A 45 3.596 -7.782 -6.629 1.00 0.00 C ATOM 693 O GLU A 45 4.411 -8.703 -6.568 1.00 0.00 O ATOM 694 CB GLU A 45 4.438 -5.460 -7.045 1.00 0.00 C ATOM 695 CG GLU A 45 5.753 -5.788 -6.357 1.00 0.00 C ATOM 696 CD GLU A 45 6.758 -6.436 -7.290 1.00 0.00 C ATOM 697 OE1 GLU A 45 6.466 -7.534 -7.805 1.00 0.00 O ATOM 698 OE2 GLU A 45 7.837 -5.844 -7.504 1.00 0.00 O ATOM 0 H GLU A 45 2.133 -5.357 -7.947 1.00 0.00 H new ATOM 0 HA GLU A 45 4.355 -7.054 -8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.621 -4.719 -7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.765 -5.002 -6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.182 -4.873 -5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.562 -6.455 -5.516 1.00 0.00 H new ATOM 705 N PHE A 46 2.553 -7.688 -5.810 1.00 0.00 N ATOM 706 CA PHE A 46 2.306 -8.684 -4.771 1.00 0.00 C ATOM 707 C PHE A 46 1.595 -9.911 -5.338 1.00 0.00 C ATOM 708 O PHE A 46 1.844 -11.036 -4.908 1.00 0.00 O ATOM 709 CB PHE A 46 1.473 -8.081 -3.639 1.00 0.00 C ATOM 710 CG PHE A 46 2.212 -7.068 -2.806 1.00 0.00 C ATOM 711 CD1 PHE A 46 2.802 -5.960 -3.393 1.00 0.00 C ATOM 712 CD2 PHE A 46 2.306 -7.225 -1.433 1.00 0.00 C ATOM 713 CE1 PHE A 46 3.471 -5.027 -2.625 1.00 0.00 C ATOM 714 CE2 PHE A 46 2.977 -6.295 -0.660 1.00 0.00 C ATOM 715 CZ PHE A 46 3.559 -5.194 -1.257 1.00 0.00 C ATOM 0 H PHE A 46 1.866 -6.935 -5.845 1.00 0.00 H new ATOM 0 HA PHE A 46 3.273 -8.998 -4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.588 -7.609 -4.065 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.125 -8.885 -2.990 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.738 -5.825 -4.463 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.850 -8.083 -0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.925 -4.167 -3.094 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.046 -6.430 0.409 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.082 -4.465 -0.655 1.00 0.00 H new ATOM 725 N ASP A 47 0.700 -9.684 -6.294 1.00 0.00 N ATOM 726 CA ASP A 47 -0.055 -10.775 -6.907 1.00 0.00 C ATOM 727 C ASP A 47 0.775 -11.541 -7.936 1.00 0.00 C ATOM 728 O ASP A 47 0.426 -12.661 -8.308 1.00 0.00 O ATOM 729 CB ASP A 47 -1.328 -10.234 -7.557 1.00 0.00 C ATOM 730 CG ASP A 47 -2.338 -9.747 -6.535 1.00 0.00 C ATOM 731 OD1 ASP A 47 -1.978 -8.883 -5.709 1.00 0.00 O ATOM 732 OD2 ASP A 47 -3.491 -10.228 -6.565 1.00 0.00 O ATOM 0 H ASP A 47 0.479 -8.758 -6.661 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.320 -11.474 -6.114 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.070 -9.414 -8.228 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.781 -11.015 -8.168 1.00 0.00 H new ATOM 737 N LYS A 48 1.870 -10.943 -8.400 1.00 0.00 N ATOM 738 CA LYS A 48 2.725 -11.598 -9.389 1.00 0.00 C ATOM 739 C LYS A 48 3.747 -12.519 -8.722 1.00 0.00 C ATOM 740 O LYS A 48 4.594 -13.106 -9.395 1.00 0.00 O ATOM 741 CB LYS A 48 3.439 -10.561 -10.256 1.00 0.00 C ATOM 742 CG LYS A 48 4.451 -9.715 -9.502 1.00 0.00 C ATOM 743 CD LYS A 48 5.078 -8.663 -10.402 1.00 0.00 C ATOM 744 CE LYS A 48 5.821 -9.300 -11.567 1.00 0.00 C ATOM 745 NZ LYS A 48 6.448 -8.279 -12.452 1.00 0.00 N ATOM 0 H LYS A 48 2.184 -10.017 -8.112 1.00 0.00 H new ATOM 0 HA LYS A 48 2.083 -12.208 -10.024 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.947 -11.073 -11.073 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.694 -9.904 -10.705 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.963 -9.229 -8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.231 -10.357 -9.093 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.302 -7.999 -10.783 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.767 -8.049 -9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.591 -9.970 -11.184 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.129 -9.909 -12.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.944 -8.754 -13.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.711 -7.655 -12.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.127 -7.714 -11.903 1.00 0.00 H new ATOM 759 N LYS A 49 3.661 -12.648 -7.399 1.00 0.00 N ATOM 760 CA LYS A 49 4.576 -13.506 -6.653 1.00 0.00 C ATOM 761 C LYS A 49 3.851 -14.208 -5.511 1.00 0.00 C ATOM 762 O LYS A 49 3.980 -15.419 -5.329 1.00 0.00 O ATOM 763 CB LYS A 49 5.748 -12.692 -6.098 1.00 0.00 C ATOM 764 CG LYS A 49 6.607 -12.048 -7.172 1.00 0.00 C ATOM 765 CD LYS A 49 7.856 -11.395 -6.593 1.00 0.00 C ATOM 766 CE LYS A 49 7.520 -10.248 -5.650 1.00 0.00 C ATOM 767 NZ LYS A 49 6.949 -10.722 -4.357 1.00 0.00 N ATOM 0 H LYS A 49 2.968 -12.170 -6.824 1.00 0.00 H new ATOM 0 HA LYS A 49 4.962 -14.259 -7.340 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.359 -11.914 -5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.373 -13.343 -5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.899 -12.802 -7.903 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.020 -11.299 -7.704 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.441 -12.143 -6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.480 -11.024 -7.406 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.421 -9.667 -5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.808 -9.580 -6.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.348 -10.164 -3.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.915 -10.608 -4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.184 -11.726 -4.221 1.00 0.00 H new ATOM 781 N TYR A 50 3.088 -13.440 -4.741 1.00 0.00 N ATOM 782 CA TYR A 50 2.341 -13.986 -3.613 1.00 0.00 C ATOM 783 C TYR A 50 0.969 -14.497 -4.047 1.00 0.00 C ATOM 784 O TYR A 50 0.153 -14.889 -3.211 1.00 0.00 O ATOM 785 CB TYR A 50 2.178 -12.919 -2.526 1.00 0.00 C ATOM 786 CG TYR A 50 3.485 -12.386 -1.970 1.00 0.00 C ATOM 787 CD1 TYR A 50 4.710 -12.901 -2.381 1.00 0.00 C ATOM 788 CD2 TYR A 50 3.489 -11.366 -1.026 1.00 0.00 C ATOM 789 CE1 TYR A 50 5.899 -12.412 -1.870 1.00 0.00 C ATOM 790 CE2 TYR A 50 4.673 -10.873 -0.511 1.00 0.00 C ATOM 791 CZ TYR A 50 5.874 -11.399 -0.935 1.00 0.00 C ATOM 792 OH TYR A 50 7.054 -10.910 -0.424 1.00 0.00 O ATOM 0 H TYR A 50 2.970 -12.436 -4.877 1.00 0.00 H new ATOM 0 HA TYR A 50 2.905 -14.829 -3.215 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.605 -12.087 -2.934 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.593 -13.338 -1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.733 -13.696 -3.111 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.550 -10.951 -0.689 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.842 -12.822 -2.202 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.657 -10.079 0.221 1.00 0.00 H new ATOM 0 HH TYR A 50 6.861 -10.199 0.222 1.00 0.00 H new ATOM 802 N ASN A 51 0.714 -14.495 -5.354 1.00 0.00 N ATOM 803 CA ASN A 51 -0.563 -14.959 -5.883 1.00 0.00 C ATOM 804 C ASN A 51 -1.712 -14.116 -5.337 1.00 0.00 C ATOM 805 O ASN A 51 -1.594 -13.504 -4.275 1.00 0.00 O ATOM 806 CB ASN A 51 -0.781 -16.431 -5.530 1.00 0.00 C ATOM 807 CG ASN A 51 0.297 -17.328 -6.102 1.00 0.00 C ATOM 808 OD1 ASN A 51 0.492 -17.391 -7.316 1.00 0.00 O ATOM 809 ND2 ASN A 51 1.006 -18.034 -5.227 1.00 0.00 N ATOM 0 H ASN A 51 1.375 -14.178 -6.063 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.541 -14.854 -6.968 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.805 -16.542 -4.446 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.753 -16.752 -5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 51 1.744 -18.657 -5.554 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.812 -17.952 -4.229 1.00 0.00 H new ATOM 816 N PRO A 52 -2.846 -14.067 -6.058 1.00 0.00 N ATOM 817 CA PRO A 52 -4.012 -13.290 -5.634 1.00 0.00 C ATOM 818 C PRO A 52 -4.499 -13.698 -4.242 1.00 0.00 C ATOM 819 O PRO A 52 -4.080 -14.731 -3.722 1.00 0.00 O ATOM 820 CB PRO A 52 -5.073 -13.619 -6.691 1.00 0.00 C ATOM 821 CG PRO A 52 -4.302 -14.082 -7.878 1.00 0.00 C ATOM 822 CD PRO A 52 -3.076 -14.762 -7.337 1.00 0.00 C ATOM 0 HA PRO A 52 -3.787 -12.226 -5.561 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -5.756 -14.392 -6.338 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.678 -12.744 -6.930 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.894 -14.768 -8.484 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.032 -13.243 -8.519 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.238 -15.830 -7.192 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.226 -14.657 -8.011 1.00 0.00 H new ATOM 830 N THR A 53 -5.381 -12.895 -3.631 1.00 0.00 N ATOM 831 CA THR A 53 -5.893 -11.661 -4.231 1.00 0.00 C ATOM 832 C THR A 53 -5.978 -10.553 -3.187 1.00 0.00 C ATOM 833 O THR A 53 -6.578 -10.729 -2.127 1.00 0.00 O ATOM 834 CB THR A 53 -7.272 -11.903 -4.847 1.00 0.00 C ATOM 835 OG1 THR A 53 -7.776 -10.716 -5.432 1.00 0.00 O ATOM 836 CG2 THR A 53 -8.297 -12.393 -3.848 1.00 0.00 C ATOM 0 H THR A 53 -5.759 -13.086 -2.703 1.00 0.00 H new ATOM 0 HA THR A 53 -5.203 -11.350 -5.016 1.00 0.00 H new ATOM 0 HB THR A 53 -7.120 -12.679 -5.597 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.658 -10.892 -5.822 1.00 0.00 H new ATOM 0 HG21 THR A 53 -9.252 -12.544 -4.351 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.962 -13.335 -3.415 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.417 -11.653 -3.057 1.00 0.00 H new ATOM 844 N TRP A 54 -5.373 -9.408 -3.494 1.00 0.00 N ATOM 845 CA TRP A 54 -5.380 -8.272 -2.581 1.00 0.00 C ATOM 846 C TRP A 54 -6.211 -7.131 -3.162 1.00 0.00 C ATOM 847 O TRP A 54 -6.874 -7.290 -4.187 1.00 0.00 O ATOM 848 CB TRP A 54 -3.952 -7.760 -2.336 1.00 0.00 C ATOM 849 CG TRP A 54 -2.923 -8.834 -2.132 1.00 0.00 C ATOM 850 CD1 TRP A 54 -2.657 -9.886 -2.961 1.00 0.00 C ATOM 851 CD2 TRP A 54 -1.996 -8.941 -1.040 1.00 0.00 C ATOM 852 NE1 TRP A 54 -1.637 -10.649 -2.446 1.00 0.00 N ATOM 853 CE2 TRP A 54 -1.214 -10.090 -1.270 1.00 0.00 C ATOM 854 CE3 TRP A 54 -1.755 -8.184 0.112 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -0.210 -10.497 -0.395 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -0.757 -8.591 0.980 1.00 0.00 C ATOM 857 CH2 TRP A 54 0.004 -9.737 0.722 1.00 0.00 C ATOM 0 H TRP A 54 -4.873 -9.244 -4.368 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.813 -8.607 -1.639 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.651 -7.145 -3.184 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.959 -7.112 -1.459 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.174 -10.089 -3.887 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.257 -11.495 -2.871 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.337 -7.298 0.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.379 -11.381 -0.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.562 -8.014 1.872 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.776 -10.027 1.419 1.00 0.00 H new ATOM 868 N HIS A 55 -6.148 -5.976 -2.510 1.00 0.00 N ATOM 869 CA HIS A 55 -6.871 -4.791 -2.963 1.00 0.00 C ATOM 870 C HIS A 55 -6.216 -3.528 -2.410 1.00 0.00 C ATOM 871 O HIS A 55 -6.849 -2.741 -1.705 1.00 0.00 O ATOM 872 CB HIS A 55 -8.341 -4.843 -2.533 1.00 0.00 C ATOM 873 CG HIS A 55 -9.092 -6.035 -3.044 1.00 0.00 C ATOM 874 ND1 HIS A 55 -8.894 -7.315 -2.570 1.00 0.00 N ATOM 875 CD2 HIS A 55 -10.047 -6.135 -4.000 1.00 0.00 C ATOM 876 CE1 HIS A 55 -9.693 -8.150 -3.211 1.00 0.00 C ATOM 877 NE2 HIS A 55 -10.403 -7.459 -4.082 1.00 0.00 N ATOM 0 H HIS A 55 -5.601 -5.833 -1.661 1.00 0.00 H new ATOM 0 HA HIS A 55 -6.831 -4.770 -4.052 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.389 -4.838 -1.444 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.841 -3.938 -2.879 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -10.453 -5.325 -4.588 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.754 -9.216 -3.049 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -11.104 -7.846 -4.715 1.00 0.00 H new ATOM 886 N CYS A 56 -4.937 -3.348 -2.727 1.00 0.00 N ATOM 887 CA CYS A 56 -4.180 -2.189 -2.260 1.00 0.00 C ATOM 888 C CYS A 56 -4.936 -0.886 -2.505 1.00 0.00 C ATOM 889 O CYS A 56 -5.460 -0.656 -3.596 1.00 0.00 O ATOM 890 CB CYS A 56 -2.817 -2.135 -2.952 1.00 0.00 C ATOM 891 SG CYS A 56 -1.774 -0.754 -2.426 1.00 0.00 S ATOM 0 H CYS A 56 -4.401 -3.992 -3.308 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.039 -2.299 -1.185 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.288 -3.069 -2.761 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.971 -2.070 -4.029 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.139 -0.274 -3.454 1.00 0.00 H new ATOM 897 N ILE A 57 -4.979 -0.033 -1.486 1.00 0.00 N ATOM 898 CA ILE A 57 -5.660 1.251 -1.593 1.00 0.00 C ATOM 899 C ILE A 57 -4.656 2.383 -1.696 1.00 0.00 C ATOM 900 O ILE A 57 -3.606 2.353 -1.057 1.00 0.00 O ATOM 901 CB ILE A 57 -6.575 1.518 -0.385 1.00 0.00 C ATOM 902 CG1 ILE A 57 -7.514 0.340 -0.159 1.00 0.00 C ATOM 903 CG2 ILE A 57 -7.372 2.801 -0.580 1.00 0.00 C ATOM 904 CD1 ILE A 57 -8.287 -0.070 -1.396 1.00 0.00 C ATOM 0 H ILE A 57 -4.550 -0.209 -0.577 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.270 1.207 -2.495 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.946 1.638 0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.934 -0.512 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.220 0.596 0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.011 2.968 0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.687 3.641 -0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.989 2.714 -1.474 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.934 -0.914 -1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.895 0.767 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.589 -0.358 -2.182 1.00 0.00 H new ATOM 916 N VAL A 58 -4.983 3.371 -2.511 1.00 0.00 N ATOM 917 CA VAL A 58 -4.111 4.515 -2.714 1.00 0.00 C ATOM 918 C VAL A 58 -4.868 5.833 -2.545 1.00 0.00 C ATOM 919 O VAL A 58 -5.131 6.541 -3.517 1.00 0.00 O ATOM 920 CB VAL A 58 -3.477 4.452 -4.114 1.00 0.00 C ATOM 921 CG1 VAL A 58 -4.525 4.640 -5.203 1.00 0.00 C ATOM 922 CG2 VAL A 58 -2.355 5.471 -4.245 1.00 0.00 C ATOM 0 H VAL A 58 -5.851 3.404 -3.046 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.328 4.477 -1.957 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.045 3.460 -4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.046 4.591 -6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.275 3.853 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.005 5.611 -5.083 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.921 5.408 -5.243 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.753 6.473 -4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.586 5.263 -3.501 1.00 0.00 H new ATOM 932 N GLY A 59 -5.215 6.162 -1.303 1.00 0.00 N ATOM 933 CA GLY A 59 -5.935 7.397 -1.049 1.00 0.00 C ATOM 934 C GLY A 59 -6.094 7.701 0.427 1.00 0.00 C ATOM 935 O GLY A 59 -5.225 8.324 1.036 1.00 0.00 O ATOM 0 H GLY A 59 -5.013 5.601 -0.476 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.409 8.222 -1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.921 7.337 -1.509 1.00 0.00 H new ATOM 939 N ARG A 60 -7.210 7.266 1.003 1.00 0.00 N ATOM 940 CA ARG A 60 -7.484 7.503 2.415 1.00 0.00 C ATOM 941 C ARG A 60 -8.486 6.486 2.953 1.00 0.00 C ATOM 942 O ARG A 60 -9.615 6.838 3.296 1.00 0.00 O ATOM 943 CB ARG A 60 -8.019 8.922 2.625 1.00 0.00 C ATOM 944 CG ARG A 60 -7.043 10.013 2.216 1.00 0.00 C ATOM 945 CD ARG A 60 -7.600 11.408 2.473 1.00 0.00 C ATOM 946 NE ARG A 60 -7.901 11.641 3.886 1.00 0.00 N ATOM 947 CZ ARG A 60 -9.008 11.218 4.494 1.00 0.00 C ATOM 948 NH1 ARG A 60 -9.975 10.629 3.803 1.00 0.00 N ATOM 949 NH2 ARG A 60 -9.162 11.416 5.797 1.00 0.00 N ATOM 0 H ARG A 60 -7.939 6.747 0.513 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.548 7.391 2.963 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.941 9.040 2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.275 9.052 3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.110 9.889 2.766 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.805 9.908 1.157 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.880 12.152 2.131 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.507 11.548 1.884 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.220 12.160 4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.875 10.496 2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.819 10.309 4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.434 11.891 6.330 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.009 11.093 6.265 1.00 0.00 H new ATOM 963 N ASN A 61 -8.061 5.225 3.015 1.00 0.00 N ATOM 964 CA ASN A 61 -8.903 4.130 3.514 1.00 0.00 C ATOM 965 C ASN A 61 -10.258 4.078 2.821 1.00 0.00 C ATOM 966 O ASN A 61 -11.169 3.403 3.302 1.00 0.00 O ATOM 967 CB ASN A 61 -9.140 4.278 5.023 1.00 0.00 C ATOM 968 CG ASN A 61 -9.993 5.492 5.360 1.00 0.00 C ATOM 969 OD1 ASN A 61 -9.514 6.451 5.962 1.00 0.00 O ATOM 970 ND2 ASN A 61 -11.266 5.462 4.952 1.00 0.00 N ATOM 0 H ASN A 61 -7.129 4.931 2.723 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.365 3.207 3.299 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -9.627 3.379 5.401 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.180 4.359 5.533 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.880 6.255 5.137 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.623 4.646 4.455 1.00 0.00 H new ATOM 977 N PHE A 62 -10.420 4.802 1.724 1.00 0.00 N ATOM 978 CA PHE A 62 -11.702 4.825 1.034 1.00 0.00 C ATOM 979 C PHE A 62 -12.206 3.410 0.751 1.00 0.00 C ATOM 980 O PHE A 62 -13.410 3.180 0.634 1.00 0.00 O ATOM 981 CB PHE A 62 -11.593 5.620 -0.268 1.00 0.00 C ATOM 982 CG PHE A 62 -10.577 5.064 -1.228 1.00 0.00 C ATOM 983 CD1 PHE A 62 -10.773 3.833 -1.833 1.00 0.00 C ATOM 984 CD2 PHE A 62 -9.418 5.771 -1.514 1.00 0.00 C ATOM 985 CE1 PHE A 62 -9.837 3.317 -2.708 1.00 0.00 C ATOM 986 CE2 PHE A 62 -8.478 5.259 -2.389 1.00 0.00 C ATOM 987 CZ PHE A 62 -8.687 4.031 -2.986 1.00 0.00 C ATOM 0 H PHE A 62 -9.692 5.374 1.297 1.00 0.00 H new ATOM 0 HA PHE A 62 -12.424 5.315 1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -12.568 5.640 -0.755 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -11.333 6.652 -0.033 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -11.669 3.270 -1.618 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.248 6.731 -1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -10.004 2.357 -3.174 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.580 5.819 -2.606 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.953 3.630 -3.669 1.00 0.00 H new ATOM 997 N GLY A 63 -11.274 2.466 0.653 1.00 0.00 N ATOM 998 CA GLY A 63 -11.634 1.084 0.396 1.00 0.00 C ATOM 999 C GLY A 63 -11.145 0.165 1.494 1.00 0.00 C ATOM 1000 O GLY A 63 -10.534 -0.869 1.228 1.00 0.00 O ATOM 0 H GLY A 63 -10.273 2.635 0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.717 1.001 0.307 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.211 0.769 -0.558 1.00 0.00 H new ATOM 1004 N SER A 64 -11.407 0.558 2.735 1.00 0.00 N ATOM 1005 CA SER A 64 -10.987 -0.215 3.897 1.00 0.00 C ATOM 1006 C SER A 64 -11.896 -1.417 4.128 1.00 0.00 C ATOM 1007 O SER A 64 -12.465 -1.582 5.208 1.00 0.00 O ATOM 1008 CB SER A 64 -10.968 0.675 5.143 1.00 0.00 C ATOM 1009 OG SER A 64 -12.253 1.213 5.404 1.00 0.00 O ATOM 0 H SER A 64 -11.912 1.414 2.963 1.00 0.00 H new ATOM 0 HA SER A 64 -9.981 -0.588 3.703 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.631 0.096 6.003 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.252 1.485 5.004 1.00 0.00 H new ATOM 0 HG SER A 64 -12.880 0.484 5.595 1.00 0.00 H new ATOM 1015 N TYR A 65 -12.017 -2.265 3.114 1.00 0.00 N ATOM 1016 CA TYR A 65 -12.843 -3.462 3.217 1.00 0.00 C ATOM 1017 C TYR A 65 -11.981 -4.678 3.526 1.00 0.00 C ATOM 1018 O TYR A 65 -12.228 -5.776 3.027 1.00 0.00 O ATOM 1019 CB TYR A 65 -13.658 -3.685 1.939 1.00 0.00 C ATOM 1020 CG TYR A 65 -12.880 -3.514 0.649 1.00 0.00 C ATOM 1021 CD1 TYR A 65 -11.852 -4.386 0.292 1.00 0.00 C ATOM 1022 CD2 TYR A 65 -13.188 -2.476 -0.221 1.00 0.00 C ATOM 1023 CE1 TYR A 65 -11.162 -4.221 -0.895 1.00 0.00 C ATOM 1024 CE2 TYR A 65 -12.500 -2.306 -1.406 1.00 0.00 C ATOM 1025 CZ TYR A 65 -11.489 -3.179 -1.738 1.00 0.00 C ATOM 1026 OH TYR A 65 -10.805 -3.013 -2.920 1.00 0.00 O ATOM 0 H TYR A 65 -11.555 -2.147 2.213 1.00 0.00 H new ATOM 0 HA TYR A 65 -13.546 -3.318 4.038 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.077 -4.691 1.963 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.498 -2.990 1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.591 -5.201 0.951 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.981 -1.789 0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -10.370 -4.905 -1.161 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.754 -1.492 -2.069 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.160 -2.234 -3.397 1.00 0.00 H new ATOM 1036 N VAL A 66 -10.969 -4.467 4.360 1.00 0.00 N ATOM 1037 CA VAL A 66 -10.052 -5.529 4.762 1.00 0.00 C ATOM 1038 C VAL A 66 -10.800 -6.799 5.150 1.00 0.00 C ATOM 1039 O VAL A 66 -10.525 -7.879 4.627 1.00 0.00 O ATOM 1040 CB VAL A 66 -9.174 -5.085 5.949 1.00 0.00 C ATOM 1041 CG1 VAL A 66 -8.228 -6.198 6.367 1.00 0.00 C ATOM 1042 CG2 VAL A 66 -8.403 -3.821 5.600 1.00 0.00 C ATOM 0 H VAL A 66 -10.761 -3.559 4.776 1.00 0.00 H new ATOM 0 HA VAL A 66 -9.419 -5.739 3.900 1.00 0.00 H new ATOM 0 HB VAL A 66 -9.827 -4.864 6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.619 -5.862 7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.805 -7.073 6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.580 -6.459 5.530 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -7.789 -3.523 6.450 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.763 -4.012 4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -9.104 -3.021 5.361 1.00 0.00 H new ATOM 1052 N THR A 67 -11.737 -6.662 6.078 1.00 0.00 N ATOM 1053 CA THR A 67 -12.519 -7.801 6.549 1.00 0.00 C ATOM 1054 C THR A 67 -13.112 -8.578 5.381 1.00 0.00 C ATOM 1055 O THR A 67 -13.246 -9.801 5.446 1.00 0.00 O ATOM 1056 CB THR A 67 -13.628 -7.337 7.494 1.00 0.00 C ATOM 1057 OG1 THR A 67 -13.083 -6.654 8.609 1.00 0.00 O ATOM 1058 CG2 THR A 67 -14.478 -8.473 8.026 1.00 0.00 C ATOM 0 H THR A 67 -11.975 -5.775 6.521 1.00 0.00 H new ATOM 0 HA THR A 67 -11.849 -8.465 7.095 1.00 0.00 H new ATOM 0 HB THR A 67 -14.259 -6.680 6.896 1.00 0.00 H new ATOM 0 HG1 THR A 67 -13.808 -6.364 9.201 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.245 -8.074 8.690 1.00 0.00 H new ATOM 0 HG22 THR A 67 -14.953 -8.993 7.194 1.00 0.00 H new ATOM 0 HG23 THR A 67 -13.848 -9.171 8.578 1.00 0.00 H new ATOM 1066 N HIS A 68 -13.442 -7.873 4.302 1.00 0.00 N ATOM 1067 CA HIS A 68 -13.988 -8.527 3.119 1.00 0.00 C ATOM 1068 C HIS A 68 -13.050 -9.649 2.681 1.00 0.00 C ATOM 1069 O HIS A 68 -13.464 -10.608 2.031 1.00 0.00 O ATOM 1070 CB HIS A 68 -14.168 -7.517 1.981 1.00 0.00 C ATOM 1071 CG HIS A 68 -14.882 -8.077 0.789 1.00 0.00 C ATOM 1072 ND1 HIS A 68 -15.091 -7.356 -0.369 1.00 0.00 N ATOM 1073 CD2 HIS A 68 -15.442 -9.292 0.579 1.00 0.00 C ATOM 1074 CE1 HIS A 68 -15.748 -8.103 -1.238 1.00 0.00 C ATOM 1075 NE2 HIS A 68 -15.973 -9.282 -0.687 1.00 0.00 N ATOM 0 H HIS A 68 -13.342 -6.861 4.223 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.965 -8.945 3.363 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -14.722 -6.656 2.355 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.188 -7.154 1.670 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -15.466 -10.115 1.277 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -16.050 -7.801 -2.230 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -16.462 -10.059 -1.130 1.00 0.00 H new ATOM 1084 N GLU A 69 -11.780 -9.518 3.065 1.00 0.00 N ATOM 1085 CA GLU A 69 -10.769 -10.509 2.742 1.00 0.00 C ATOM 1086 C GLU A 69 -10.642 -11.532 3.866 1.00 0.00 C ATOM 1087 O GLU A 69 -11.152 -12.647 3.765 1.00 0.00 O ATOM 1088 CB GLU A 69 -9.421 -9.827 2.497 1.00 0.00 C ATOM 1089 CG GLU A 69 -9.374 -9.003 1.221 1.00 0.00 C ATOM 1090 CD GLU A 69 -10.372 -7.863 1.227 1.00 0.00 C ATOM 1091 OE1 GLU A 69 -10.298 -7.016 2.142 1.00 0.00 O ATOM 1092 OE2 GLU A 69 -11.227 -7.817 0.318 1.00 0.00 O ATOM 0 H GLU A 69 -11.431 -8.726 3.605 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.073 -11.029 1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.192 -9.181 3.344 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.641 -10.588 2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.369 -8.601 1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.573 -9.651 0.367 1.00 0.00 H new ATOM 1099 N THR A 70 -9.966 -11.139 4.939 1.00 0.00 N ATOM 1100 CA THR A 70 -9.780 -12.018 6.087 1.00 0.00 C ATOM 1101 C THR A 70 -9.042 -11.313 7.232 1.00 0.00 C ATOM 1102 O THR A 70 -9.668 -10.630 8.041 1.00 0.00 O ATOM 1103 CB THR A 70 -9.065 -13.308 5.663 1.00 0.00 C ATOM 1104 OG1 THR A 70 -8.663 -14.067 6.793 1.00 0.00 O ATOM 1105 CG2 THR A 70 -7.853 -13.079 4.787 1.00 0.00 C ATOM 0 H THR A 70 -9.538 -10.218 5.038 1.00 0.00 H new ATOM 0 HA THR A 70 -10.765 -12.285 6.469 1.00 0.00 H new ATOM 0 HB THR A 70 -9.803 -13.853 5.074 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.212 -14.884 6.495 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.403 -14.038 4.530 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.155 -12.564 3.875 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.126 -12.470 5.324 1.00 0.00 H new ATOM 1113 N LYS A 71 -7.724 -11.484 7.310 1.00 0.00 N ATOM 1114 CA LYS A 71 -6.939 -10.863 8.376 1.00 0.00 C ATOM 1115 C LYS A 71 -5.497 -10.617 7.938 1.00 0.00 C ATOM 1116 O LYS A 71 -4.601 -10.504 8.775 1.00 0.00 O ATOM 1117 CB LYS A 71 -6.932 -11.743 9.630 1.00 0.00 C ATOM 1118 CG LYS A 71 -8.295 -11.924 10.281 1.00 0.00 C ATOM 1119 CD LYS A 71 -9.010 -13.163 9.763 1.00 0.00 C ATOM 1120 CE LYS A 71 -10.393 -13.306 10.378 1.00 0.00 C ATOM 1121 NZ LYS A 71 -11.260 -12.135 10.070 1.00 0.00 N ATOM 0 H LYS A 71 -7.180 -12.043 6.653 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.410 -9.906 8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.535 -12.724 9.368 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.250 -11.308 10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.174 -12.000 11.362 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.909 -11.044 10.090 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.097 -13.107 8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.416 -14.049 9.990 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.864 -14.215 10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.301 -13.415 11.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.197 -12.467 9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.361 -11.544 10.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.828 -11.574 9.308 1.00 0.00 H new ATOM 1135 N HIS A 72 -5.274 -10.538 6.634 1.00 0.00 N ATOM 1136 CA HIS A 72 -3.933 -10.309 6.108 1.00 0.00 C ATOM 1137 C HIS A 72 -3.840 -8.946 5.435 1.00 0.00 C ATOM 1138 O HIS A 72 -3.802 -8.846 4.209 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.551 -11.415 5.124 1.00 0.00 C ATOM 1140 CG HIS A 72 -3.456 -12.769 5.757 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -3.110 -13.904 5.056 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -3.659 -13.165 7.037 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -3.106 -14.941 5.876 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -3.434 -14.520 7.083 1.00 0.00 N ATOM 0 H HIS A 72 -5.999 -10.628 5.923 1.00 0.00 H new ATOM 0 HA HIS A 72 -3.232 -10.326 6.943 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.289 -11.448 4.322 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.593 -11.168 4.666 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -3.944 -12.534 7.866 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.874 -15.960 5.604 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -3.508 -15.105 7.915 1.00 0.00 H new ATOM 1153 N PHE A 73 -3.816 -7.901 6.252 1.00 0.00 N ATOM 1154 CA PHE A 73 -3.742 -6.535 5.744 1.00 0.00 C ATOM 1155 C PHE A 73 -2.423 -5.863 6.115 1.00 0.00 C ATOM 1156 O PHE A 73 -1.571 -6.456 6.780 1.00 0.00 O ATOM 1157 CB PHE A 73 -4.914 -5.714 6.294 1.00 0.00 C ATOM 1158 CG PHE A 73 -4.785 -5.372 7.754 1.00 0.00 C ATOM 1159 CD1 PHE A 73 -3.862 -4.430 8.176 1.00 0.00 C ATOM 1160 CD2 PHE A 73 -5.575 -6.001 8.702 1.00 0.00 C ATOM 1161 CE1 PHE A 73 -3.726 -4.119 9.509 1.00 0.00 C ATOM 1162 CE2 PHE A 73 -5.446 -5.691 10.044 1.00 0.00 C ATOM 1163 CZ PHE A 73 -4.520 -4.748 10.448 1.00 0.00 C ATOM 0 H PHE A 73 -3.847 -7.972 7.269 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.798 -6.581 4.656 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.999 -4.791 5.721 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.839 -6.271 6.141 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.239 -3.932 7.447 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.298 -6.740 8.391 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.999 -3.384 9.821 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.068 -6.185 10.775 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.417 -4.504 11.495 1.00 0.00 H new ATOM 1173 N ILE A 74 -2.278 -4.611 5.690 1.00 0.00 N ATOM 1174 CA ILE A 74 -1.088 -3.821 5.977 1.00 0.00 C ATOM 1175 C ILE A 74 -1.158 -2.457 5.292 1.00 0.00 C ATOM 1176 O ILE A 74 -1.018 -2.358 4.073 1.00 0.00 O ATOM 1177 CB ILE A 74 0.198 -4.547 5.528 1.00 0.00 C ATOM 1178 CG1 ILE A 74 1.421 -3.657 5.766 1.00 0.00 C ATOM 1179 CG2 ILE A 74 0.102 -4.948 4.064 1.00 0.00 C ATOM 1180 CD1 ILE A 74 2.724 -4.293 5.337 1.00 0.00 C ATOM 0 H ILE A 74 -2.981 -4.118 5.139 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.054 -3.683 7.058 1.00 0.00 H new ATOM 0 HB ILE A 74 0.310 -5.454 6.122 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.289 -2.720 5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.479 -3.409 6.826 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.018 -5.458 3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.748 -5.616 3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.033 -4.057 3.451 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.547 -3.606 5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.880 -5.216 5.895 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.686 -4.516 4.271 1.00 0.00 H new ATOM 1192 N TYR A 75 -1.360 -1.401 6.081 1.00 0.00 N ATOM 1193 CA TYR A 75 -1.427 -0.047 5.533 1.00 0.00 C ATOM 1194 C TYR A 75 -0.255 0.805 6.004 1.00 0.00 C ATOM 1195 O TYR A 75 0.427 0.472 6.971 1.00 0.00 O ATOM 1196 CB TYR A 75 -2.748 0.652 5.874 1.00 0.00 C ATOM 1197 CG TYR A 75 -3.264 0.434 7.279 1.00 0.00 C ATOM 1198 CD1 TYR A 75 -3.756 -0.801 7.679 1.00 0.00 C ATOM 1199 CD2 TYR A 75 -3.283 1.477 8.196 1.00 0.00 C ATOM 1200 CE1 TYR A 75 -4.256 -0.987 8.956 1.00 0.00 C ATOM 1201 CE2 TYR A 75 -3.775 1.295 9.474 1.00 0.00 C ATOM 1202 CZ TYR A 75 -4.262 0.062 9.847 1.00 0.00 C ATOM 1203 OH TYR A 75 -4.757 -0.121 11.118 1.00 0.00 O ATOM 0 H TYR A 75 -1.479 -1.456 7.093 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.371 -0.154 4.450 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.622 1.723 5.715 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.509 0.313 5.171 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.748 -1.628 6.984 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.907 2.447 7.905 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.640 -1.952 9.252 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.778 2.115 10.177 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.687 0.718 11.620 1.00 0.00 H new ATOM 1213 N PHE A 76 -0.026 1.906 5.296 1.00 0.00 N ATOM 1214 CA PHE A 76 1.067 2.815 5.619 1.00 0.00 C ATOM 1215 C PHE A 76 0.757 4.235 5.153 1.00 0.00 C ATOM 1216 O PHE A 76 -0.085 4.443 4.280 1.00 0.00 O ATOM 1217 CB PHE A 76 2.368 2.315 4.989 1.00 0.00 C ATOM 1218 CG PHE A 76 2.238 1.943 3.537 1.00 0.00 C ATOM 1219 CD1 PHE A 76 1.461 0.859 3.154 1.00 0.00 C ATOM 1220 CD2 PHE A 76 2.887 2.676 2.558 1.00 0.00 C ATOM 1221 CE1 PHE A 76 1.337 0.514 1.822 1.00 0.00 C ATOM 1222 CE2 PHE A 76 2.768 2.334 1.224 1.00 0.00 C ATOM 1223 CZ PHE A 76 1.993 1.252 0.856 1.00 0.00 C ATOM 0 H PHE A 76 -0.585 2.191 4.492 1.00 0.00 H new ATOM 0 HA PHE A 76 1.185 2.838 6.702 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.130 3.088 5.089 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.720 1.447 5.546 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.947 0.278 3.906 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.493 3.524 2.840 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.728 -0.331 1.536 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.281 2.913 0.470 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.900 0.983 -0.186 1.00 0.00 H new ATOM 1233 N TYR A 77 1.441 5.212 5.748 1.00 0.00 N ATOM 1234 CA TYR A 77 1.235 6.616 5.401 1.00 0.00 C ATOM 1235 C TYR A 77 2.443 7.177 4.654 1.00 0.00 C ATOM 1236 O TYR A 77 3.563 7.169 5.168 1.00 0.00 O ATOM 1237 CB TYR A 77 0.983 7.435 6.672 1.00 0.00 C ATOM 1238 CG TYR A 77 0.615 8.886 6.426 1.00 0.00 C ATOM 1239 CD1 TYR A 77 0.299 9.350 5.154 1.00 0.00 C ATOM 1240 CD2 TYR A 77 0.573 9.792 7.480 1.00 0.00 C ATOM 1241 CE1 TYR A 77 -0.040 10.673 4.940 1.00 0.00 C ATOM 1242 CE2 TYR A 77 0.232 11.116 7.273 1.00 0.00 C ATOM 1243 CZ TYR A 77 -0.072 11.550 6.002 1.00 0.00 C ATOM 1244 OH TYR A 77 -0.410 12.867 5.791 1.00 0.00 O ATOM 0 H TYR A 77 2.142 5.056 6.472 1.00 0.00 H new ATOM 0 HA TYR A 77 0.366 6.683 4.747 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.182 6.962 7.240 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.878 7.401 7.294 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.319 8.665 4.319 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.811 9.456 8.478 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.279 11.018 3.945 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.204 11.806 8.104 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.386 13.351 6.643 1.00 0.00 H new ATOM 1254 N LEU A 78 2.208 7.667 3.440 1.00 0.00 N ATOM 1255 CA LEU A 78 3.274 8.236 2.625 1.00 0.00 C ATOM 1256 C LEU A 78 2.990 9.697 2.294 1.00 0.00 C ATOM 1257 O LEU A 78 2.058 10.005 1.551 1.00 0.00 O ATOM 1258 CB LEU A 78 3.440 7.436 1.333 1.00 0.00 C ATOM 1259 CG LEU A 78 3.751 5.952 1.527 1.00 0.00 C ATOM 1260 CD1 LEU A 78 3.940 5.270 0.183 1.00 0.00 C ATOM 1261 CD2 LEU A 78 4.987 5.777 2.397 1.00 0.00 C ATOM 0 H LEU A 78 1.288 7.681 3.000 1.00 0.00 H new ATOM 0 HA LEU A 78 4.199 8.185 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.525 7.526 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.240 7.886 0.745 1.00 0.00 H new ATOM 0 HG LEU A 78 2.907 5.484 2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.161 4.214 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.028 5.367 -0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.767 5.739 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.194 4.715 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.840 6.258 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.813 6.233 3.372 1.00 0.00 H new ATOM 1273 N GLY A 79 3.800 10.594 2.848 1.00 0.00 N ATOM 1274 CA GLY A 79 3.620 12.012 2.599 1.00 0.00 C ATOM 1275 C GLY A 79 2.248 12.510 3.010 1.00 0.00 C ATOM 1276 O GLY A 79 2.049 12.930 4.149 1.00 0.00 O ATOM 0 H GLY A 79 4.578 10.363 3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.382 12.571 3.141 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.772 12.212 1.538 1.00 0.00 H new ATOM 1280 N GLN A 80 1.299 12.465 2.079 1.00 0.00 N ATOM 1281 CA GLN A 80 -0.061 12.917 2.352 1.00 0.00 C ATOM 1282 C GLN A 80 -1.084 11.968 1.736 1.00 0.00 C ATOM 1283 O GLN A 80 -2.168 12.387 1.329 1.00 0.00 O ATOM 1284 CB GLN A 80 -0.275 14.335 1.817 1.00 0.00 C ATOM 1285 CG GLN A 80 -0.091 14.464 0.312 1.00 0.00 C ATOM 1286 CD GLN A 80 1.334 14.195 -0.131 1.00 0.00 C ATOM 1287 OE1 GLN A 80 2.267 14.877 0.291 1.00 0.00 O ATOM 1288 NE2 GLN A 80 1.509 13.196 -0.988 1.00 0.00 N ATOM 0 H GLN A 80 1.447 12.121 1.130 1.00 0.00 H new ATOM 0 HA GLN A 80 -0.201 12.923 3.433 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.281 14.663 2.079 1.00 0.00 H new ATOM 0 HB3 GLN A 80 0.420 15.009 2.317 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.761 13.768 -0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -0.380 15.467 -0.000 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.707 12.656 -1.312 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.446 12.969 -1.322 1.00 0.00 H new ATOM 1297 N VAL A 81 -0.733 10.688 1.671 1.00 0.00 N ATOM 1298 CA VAL A 81 -1.620 9.677 1.108 1.00 0.00 C ATOM 1299 C VAL A 81 -1.445 8.343 1.825 1.00 0.00 C ATOM 1300 O VAL A 81 -0.332 7.826 1.935 1.00 0.00 O ATOM 1301 CB VAL A 81 -1.360 9.480 -0.399 1.00 0.00 C ATOM 1302 CG1 VAL A 81 -2.327 8.462 -0.984 1.00 0.00 C ATOM 1303 CG2 VAL A 81 -1.463 10.807 -1.136 1.00 0.00 C ATOM 0 H VAL A 81 0.161 10.326 2.002 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.641 10.031 1.247 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.348 9.096 -0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.126 8.339 -2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.199 7.506 -0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.350 8.811 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.277 10.649 -2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.462 11.222 -1.001 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.724 11.503 -0.738 1.00 0.00 H new ATOM 1313 N ALA A 82 -2.550 7.791 2.315 1.00 0.00 N ATOM 1314 CA ALA A 82 -2.518 6.520 3.025 1.00 0.00 C ATOM 1315 C ALA A 82 -2.829 5.356 2.090 1.00 0.00 C ATOM 1316 O ALA A 82 -3.769 5.419 1.294 1.00 0.00 O ATOM 1317 CB ALA A 82 -3.496 6.541 4.189 1.00 0.00 C ATOM 0 H ALA A 82 -3.479 8.205 2.233 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.510 6.377 3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.461 5.585 4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.224 7.340 4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.505 6.713 3.814 1.00 0.00 H new ATOM 1323 N ILE A 83 -2.038 4.293 2.197 1.00 0.00 N ATOM 1324 CA ILE A 83 -2.230 3.111 1.368 1.00 0.00 C ATOM 1325 C ILE A 83 -2.611 1.908 2.226 1.00 0.00 C ATOM 1326 O ILE A 83 -2.026 1.680 3.285 1.00 0.00 O ATOM 1327 CB ILE A 83 -0.962 2.790 0.542 1.00 0.00 C ATOM 1328 CG1 ILE A 83 -0.632 3.963 -0.384 1.00 0.00 C ATOM 1329 CG2 ILE A 83 -1.144 1.507 -0.263 1.00 0.00 C ATOM 1330 CD1 ILE A 83 0.617 3.748 -1.210 1.00 0.00 C ATOM 0 H ILE A 83 -1.258 4.227 2.851 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.044 3.325 0.675 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.131 2.637 1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.475 4.136 -1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.511 4.865 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.238 1.304 -0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -1.338 0.676 0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.986 1.622 -0.946 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.789 4.619 -1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.471 3.606 -0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.492 2.864 -1.836 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.602 1.148 1.769 1.00 0.00 N ATOM 1343 CA LEU A 84 -4.067 -0.025 2.504 1.00 0.00 C ATOM 1344 C LEU A 84 -4.012 -1.278 1.639 1.00 0.00 C ATOM 1345 O LEU A 84 -4.824 -1.457 0.732 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.494 0.204 3.005 1.00 0.00 C ATOM 1347 CG LEU A 84 -6.124 -0.977 3.745 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -5.263 -1.389 4.929 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -7.529 -0.622 4.206 1.00 0.00 C ATOM 0 H LEU A 84 -4.098 1.323 0.895 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.404 -0.175 3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.494 1.069 3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.125 0.456 2.152 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.186 -1.821 3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.729 -2.231 5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.274 -1.681 4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.168 -0.551 5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.965 -1.472 4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.486 0.236 4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.144 -0.375 3.341 1.00 0.00 H new ATOM 1361 N LEU A 85 -3.048 -2.144 1.933 1.00 0.00 N ATOM 1362 CA LEU A 85 -2.883 -3.387 1.191 1.00 0.00 C ATOM 1363 C LEU A 85 -3.293 -4.580 2.047 1.00 0.00 C ATOM 1364 O LEU A 85 -2.869 -4.704 3.195 1.00 0.00 O ATOM 1365 CB LEU A 85 -1.431 -3.539 0.733 1.00 0.00 C ATOM 1366 CG LEU A 85 -1.109 -4.849 0.011 1.00 0.00 C ATOM 1367 CD1 LEU A 85 -1.962 -5.002 -1.239 1.00 0.00 C ATOM 1368 CD2 LEU A 85 0.370 -4.908 -0.340 1.00 0.00 C ATOM 0 H LEU A 85 -2.368 -2.007 2.681 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.528 -3.354 0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.187 -2.708 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.781 -3.454 1.604 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.341 -5.677 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.715 -5.941 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.016 -5.004 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.767 -4.171 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.585 -5.845 -0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.623 -4.071 -0.991 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.963 -4.850 0.573 1.00 0.00 H new ATOM 1380 N PHE A 86 -4.126 -5.449 1.488 1.00 0.00 N ATOM 1381 CA PHE A 86 -4.596 -6.624 2.210 1.00 0.00 C ATOM 1382 C PHE A 86 -5.059 -7.715 1.252 1.00 0.00 C ATOM 1383 O PHE A 86 -5.493 -7.428 0.138 1.00 0.00 O ATOM 1384 CB PHE A 86 -5.725 -6.234 3.167 1.00 0.00 C ATOM 1385 CG PHE A 86 -6.824 -5.444 2.517 1.00 0.00 C ATOM 1386 CD1 PHE A 86 -7.600 -5.997 1.516 1.00 0.00 C ATOM 1387 CD2 PHE A 86 -7.080 -4.142 2.917 1.00 0.00 C ATOM 1388 CE1 PHE A 86 -8.612 -5.269 0.922 1.00 0.00 C ATOM 1389 CE2 PHE A 86 -8.090 -3.408 2.328 1.00 0.00 C ATOM 1390 CZ PHE A 86 -8.856 -3.972 1.328 1.00 0.00 C ATOM 0 H PHE A 86 -4.489 -5.362 0.539 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.763 -7.024 2.788 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -6.149 -7.139 3.602 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.308 -5.651 3.988 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -7.413 -7.011 1.194 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.482 -3.696 3.699 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -9.212 -5.713 0.141 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.280 -2.395 2.649 1.00 0.00 H new ATOM 0 HZ PHE A 86 -9.645 -3.400 0.864 1.00 0.00 H new ATOM 1400 N LYS A 87 -4.956 -8.967 1.693 1.00 0.00 N ATOM 1401 CA LYS A 87 -5.357 -10.104 0.870 1.00 0.00 C ATOM 1402 C LYS A 87 -6.319 -11.025 1.609 1.00 0.00 C ATOM 1403 O LYS A 87 -6.307 -11.108 2.837 1.00 0.00 O ATOM 1404 CB LYS A 87 -4.121 -10.890 0.416 1.00 0.00 C ATOM 1405 CG LYS A 87 -4.438 -12.211 -0.269 1.00 0.00 C ATOM 1406 CD LYS A 87 -4.518 -13.353 0.731 1.00 0.00 C ATOM 1407 CE LYS A 87 -3.137 -13.760 1.216 1.00 0.00 C ATOM 1408 NZ LYS A 87 -3.181 -14.976 2.074 1.00 0.00 N ATOM 0 H LYS A 87 -4.599 -9.219 2.615 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.878 -9.712 -0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.541 -10.270 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.490 -11.086 1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.384 -12.127 -0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.671 -12.430 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.130 -13.052 1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.011 -14.209 0.270 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.492 -13.946 0.357 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.693 -12.937 1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.252 -15.121 2.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.903 -14.854 2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.418 -15.804 1.491 1.00 0.00 H new ATOM 1422 N SER A 88 -7.149 -11.719 0.837 1.00 0.00 N ATOM 1423 CA SER A 88 -8.127 -12.650 1.395 1.00 0.00 C ATOM 1424 C SER A 88 -7.642 -14.096 1.286 1.00 0.00 C ATOM 1425 O SER A 88 -8.093 -14.845 0.420 1.00 0.00 O ATOM 1426 CB SER A 88 -9.460 -12.509 0.668 1.00 0.00 C ATOM 1427 OG SER A 88 -10.451 -13.340 1.246 1.00 0.00 O ATOM 0 H SER A 88 -7.165 -11.655 -0.181 1.00 0.00 H new ATOM 0 HA SER A 88 -8.254 -12.405 2.449 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.788 -11.470 0.703 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.333 -12.768 -0.383 1.00 0.00 H new ATOM 0 HG SER A 88 -10.547 -13.122 2.197 1.00 0.00 H new ATOM 1433 N GLY A 89 -6.724 -14.482 2.164 1.00 0.00 N ATOM 1434 CA GLY A 89 -6.203 -15.837 2.140 1.00 0.00 C ATOM 1435 C GLY A 89 -5.920 -16.372 3.530 1.00 0.00 C ATOM 1436 O GLY A 89 -6.144 -15.630 4.509 1.00 0.00 O ATOM 1437 OXT GLY A 89 -5.476 -17.535 3.639 1.00 0.00 O ATOM 0 H GLY A 89 -6.331 -13.883 2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.919 -16.490 1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.286 -15.860 1.551 1.00 0.00 H new