USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 710 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 64 HIS : no HD1:sc= -0.465 X(o=-0.46,f=-0.12) USER MOD Set 1.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 7 LYS NZ :NH3+ 153:sc= 1.85 (180deg=1.28) USER MOD Set 2.2: A 74 ASN : amide:sc= 0.833 K(o=2.7,f=-3.5!) USER MOD Single : A 9 LYS NZ :NH3+ -151:sc= 0.521 (180deg=0.0422) USER MOD Single : A 13 TYR OH : rot 130:sc= -0.111 USER MOD Single : A 15 MET CE :methyl 135:sc= -0.99 (180deg=-2.27) USER MOD Single : A 22 SER OG : rot -38:sc= 0.23 USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= -0.0247 (180deg=-0.246) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -148:sc= 0.356 USER MOD Single : A 41 ASN : amide:sc= 0.153 K(o=0.15,f=-7.1!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -147:sc= -0.473 (180deg=-2.29!) USER MOD Single : A 44 ASN : amide:sc= -4.52! C(o=-4.5!,f=-6.8!) USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= 0.857 (180deg=-0.0495) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 126:sc= 0.132 USER MOD Single : A 56 MET CE :methyl 140:sc= -1.83 (180deg=-3.21!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -76:sc= 0.0527 USER MOD Single : A 82 GLN :FLIP amide:sc= -0.0816 F(o=-0.81,f=-0.082) USER MOD Single : A 84 LYS NZ :NH3+ -160:sc= -3.18! (180deg=-3.4!) USER MOD Single : A 87 SER OG : rot 89:sc= 0.252 USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 4 11.789 1.125 0.451 1.00 0.00 N ATOM 40 CA GLU A 4 11.558 0.569 1.801 1.00 0.00 C ATOM 41 C GLU A 4 10.787 1.551 2.691 1.00 0.00 C ATOM 42 O GLU A 4 9.933 1.142 3.484 1.00 0.00 O ATOM 43 CB GLU A 4 12.915 0.197 2.474 1.00 0.00 C ATOM 44 CG GLU A 4 13.940 -0.484 1.541 1.00 0.00 C ATOM 45 CD GLU A 4 13.386 -1.735 0.842 1.00 0.00 C ATOM 46 OE1 GLU A 4 13.145 -2.750 1.525 1.00 0.00 O ATOM 47 OE2 GLU A 4 13.189 -1.709 -0.392 1.00 0.00 O ATOM 0 HA GLU A 4 10.953 -0.330 1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.363 1.104 2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.716 -0.466 3.316 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.266 0.232 0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.821 -0.760 2.120 1.00 0.00 H new ATOM 54 N GLU A 5 11.116 2.844 2.551 1.00 0.00 N ATOM 55 CA GLU A 5 10.497 3.924 3.347 1.00 0.00 C ATOM 56 C GLU A 5 9.050 4.135 2.853 1.00 0.00 C ATOM 57 O GLU A 5 8.150 4.332 3.663 1.00 0.00 O ATOM 58 CB GLU A 5 11.374 5.216 3.261 1.00 0.00 C ATOM 59 CG GLU A 5 11.237 6.222 4.433 1.00 0.00 C ATOM 60 CD GLU A 5 10.077 7.215 4.280 1.00 0.00 C ATOM 61 OE1 GLU A 5 10.241 8.214 3.540 1.00 0.00 O ATOM 62 OE2 GLU A 5 9.014 7.019 4.899 1.00 0.00 O ATOM 0 H GLU A 5 11.816 3.174 1.886 1.00 0.00 H new ATOM 0 HA GLU A 5 10.448 3.656 4.402 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.419 4.915 3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 5 11.128 5.735 2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 5 11.103 5.665 5.361 1.00 0.00 H new ATOM 0 HG3 GLU A 5 12.168 6.781 4.528 1.00 0.00 H new ATOM 69 N VAL A 6 8.855 4.031 1.515 1.00 0.00 N ATOM 70 CA VAL A 6 7.524 3.985 0.855 1.00 0.00 C ATOM 71 C VAL A 6 6.650 2.890 1.464 1.00 0.00 C ATOM 72 O VAL A 6 5.510 3.148 1.860 1.00 0.00 O ATOM 73 CB VAL A 6 7.680 3.737 -0.707 1.00 0.00 C ATOM 74 CG1 VAL A 6 6.375 3.202 -1.381 1.00 0.00 C ATOM 75 CG2 VAL A 6 8.195 5.016 -1.414 1.00 0.00 C ATOM 0 H VAL A 6 9.629 3.976 0.853 1.00 0.00 H new ATOM 0 HA VAL A 6 7.041 4.949 1.016 1.00 0.00 H new ATOM 0 HB VAL A 6 8.422 2.947 -0.825 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.550 3.054 -2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.092 2.253 -0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.571 3.925 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.295 4.826 -2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.487 5.830 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.165 5.294 -1.002 1.00 0.00 H new ATOM 85 N LYS A 7 7.205 1.673 1.534 1.00 0.00 N ATOM 86 CA LYS A 7 6.505 0.513 2.092 1.00 0.00 C ATOM 87 C LYS A 7 6.142 0.746 3.570 1.00 0.00 C ATOM 88 O LYS A 7 4.989 0.579 3.965 1.00 0.00 O ATOM 89 CB LYS A 7 7.368 -0.767 1.916 1.00 0.00 C ATOM 90 CG LYS A 7 7.486 -1.244 0.447 1.00 0.00 C ATOM 91 CD LYS A 7 8.283 -2.560 0.271 1.00 0.00 C ATOM 92 CE LYS A 7 9.743 -2.442 0.729 1.00 0.00 C ATOM 93 NZ LYS A 7 10.485 -3.718 0.599 1.00 0.00 N ATOM 0 H LYS A 7 8.149 1.467 1.206 1.00 0.00 H new ATOM 0 HA LYS A 7 5.572 0.373 1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.367 -0.577 2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.938 -1.569 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.484 -1.381 0.039 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.965 -0.461 -0.141 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.794 -3.353 0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.260 -2.855 -0.778 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.244 -1.673 0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.769 -2.115 1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.498 -3.519 0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.351 -4.287 1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.128 -4.245 -0.223 1.00 0.00 H new ATOM 107 N GLU A 8 7.119 1.204 4.351 1.00 0.00 N ATOM 108 CA GLU A 8 6.970 1.410 5.785 1.00 0.00 C ATOM 109 C GLU A 8 5.905 2.479 6.112 1.00 0.00 C ATOM 110 O GLU A 8 5.206 2.346 7.124 1.00 0.00 O ATOM 111 CB GLU A 8 8.354 1.744 6.397 1.00 0.00 C ATOM 112 CG GLU A 8 8.310 2.320 7.819 1.00 0.00 C ATOM 113 CD GLU A 8 9.660 2.258 8.544 1.00 0.00 C ATOM 114 OE1 GLU A 8 10.607 2.940 8.104 1.00 0.00 O ATOM 115 OE2 GLU A 8 9.791 1.487 9.525 1.00 0.00 O ATOM 0 H GLU A 8 8.046 1.444 3.999 1.00 0.00 H new ATOM 0 HA GLU A 8 6.603 0.489 6.239 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.959 0.837 6.406 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.860 2.458 5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.978 3.357 7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.568 1.774 8.401 1.00 0.00 H new ATOM 122 N LYS A 9 5.777 3.497 5.233 1.00 0.00 N ATOM 123 CA LYS A 9 4.672 4.479 5.269 1.00 0.00 C ATOM 124 C LYS A 9 3.320 3.749 5.299 1.00 0.00 C ATOM 125 O LYS A 9 2.513 3.912 6.221 1.00 0.00 O ATOM 126 CB LYS A 9 4.702 5.376 4.002 1.00 0.00 C ATOM 127 CG LYS A 9 5.829 6.408 3.942 1.00 0.00 C ATOM 128 CD LYS A 9 5.831 7.148 2.590 1.00 0.00 C ATOM 129 CE LYS A 9 7.018 8.094 2.434 1.00 0.00 C ATOM 130 NZ LYS A 9 7.106 9.071 3.547 1.00 0.00 N ATOM 0 H LYS A 9 6.440 3.661 4.476 1.00 0.00 H new ATOM 0 HA LYS A 9 4.795 5.090 6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.778 4.732 3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.750 5.902 3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.712 7.126 4.753 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.788 5.913 4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.846 6.417 1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.905 7.715 2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.939 7.514 2.389 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.932 8.630 1.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.553 9.946 3.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.151 9.284 3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.676 8.669 4.318 1.00 0.00 H new ATOM 144 N ILE A 10 3.123 2.915 4.268 1.00 0.00 N ATOM 145 CA ILE A 10 1.851 2.249 3.991 1.00 0.00 C ATOM 146 C ILE A 10 1.513 1.229 5.095 1.00 0.00 C ATOM 147 O ILE A 10 0.403 1.252 5.628 1.00 0.00 O ATOM 148 CB ILE A 10 1.903 1.551 2.587 1.00 0.00 C ATOM 149 CG1 ILE A 10 2.407 2.561 1.505 1.00 0.00 C ATOM 150 CG2 ILE A 10 0.525 0.956 2.192 1.00 0.00 C ATOM 151 CD1 ILE A 10 2.821 1.938 0.184 1.00 0.00 C ATOM 0 H ILE A 10 3.855 2.684 3.597 1.00 0.00 H new ATOM 0 HA ILE A 10 1.062 3.001 3.978 1.00 0.00 H new ATOM 0 HB ILE A 10 2.606 0.720 2.648 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.618 3.288 1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.256 3.111 1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.601 0.481 1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.223 0.216 2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.217 1.753 2.152 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.155 2.720 -0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.635 1.233 0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.971 1.413 -0.253 1.00 0.00 H new ATOM 163 N ARG A 11 2.513 0.385 5.471 1.00 0.00 N ATOM 164 CA ARG A 11 2.331 -0.692 6.470 1.00 0.00 C ATOM 165 C ARG A 11 2.036 -0.110 7.849 1.00 0.00 C ATOM 166 O ARG A 11 1.310 -0.717 8.636 1.00 0.00 O ATOM 167 CB ARG A 11 3.552 -1.667 6.503 1.00 0.00 C ATOM 168 CG ARG A 11 4.855 -1.206 7.209 1.00 0.00 C ATOM 169 CD ARG A 11 4.952 -1.645 8.691 1.00 0.00 C ATOM 170 NE ARG A 11 6.260 -2.252 9.018 1.00 0.00 N ATOM 171 CZ ARG A 11 7.386 -1.591 9.318 1.00 0.00 C ATOM 172 NH1 ARG A 11 7.400 -0.274 9.343 1.00 0.00 N ATOM 173 NH2 ARG A 11 8.485 -2.258 9.585 1.00 0.00 N ATOM 0 H ARG A 11 3.458 0.435 5.091 1.00 0.00 H new ATOM 0 HA ARG A 11 1.467 -1.282 6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.225 -2.590 6.982 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.805 -1.915 5.472 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.712 -1.604 6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.921 -0.119 7.157 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.785 -0.781 9.334 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.159 -2.361 8.907 1.00 0.00 H new ATOM 0 HE ARG A 11 6.310 -3.271 9.015 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.550 0.249 9.133 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.261 0.223 9.572 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.481 -3.278 9.564 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.343 -1.756 9.814 1.00 0.00 H new ATOM 187 N ARG A 12 2.612 1.074 8.128 1.00 0.00 N ATOM 188 CA ARG A 12 2.354 1.803 9.365 1.00 0.00 C ATOM 189 C ARG A 12 0.912 2.295 9.372 1.00 0.00 C ATOM 190 O ARG A 12 0.227 2.129 10.363 1.00 0.00 O ATOM 191 CB ARG A 12 3.367 2.987 9.559 1.00 0.00 C ATOM 192 CG ARG A 12 4.379 2.832 10.723 1.00 0.00 C ATOM 193 CD ARG A 12 4.930 1.406 10.856 1.00 0.00 C ATOM 194 NE ARG A 12 6.011 1.318 11.847 1.00 0.00 N ATOM 195 CZ ARG A 12 6.419 0.195 12.465 1.00 0.00 C ATOM 196 NH1 ARG A 12 5.823 -0.979 12.233 1.00 0.00 N ATOM 197 NH2 ARG A 12 7.449 0.249 13.285 1.00 0.00 N ATOM 0 H ARG A 12 3.265 1.543 7.500 1.00 0.00 H new ATOM 0 HA ARG A 12 2.500 1.127 10.208 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.926 3.116 8.632 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.798 3.903 9.718 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.208 3.523 10.570 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.895 3.117 11.657 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.123 0.732 11.141 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.299 1.069 9.887 1.00 0.00 H new ATOM 0 HE ARG A 12 6.494 2.184 12.087 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.044 -1.035 11.577 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.147 -1.819 12.712 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.927 1.135 13.445 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.768 -0.596 13.760 1.00 0.00 H new ATOM 211 N TYR A 13 0.456 2.842 8.229 1.00 0.00 N ATOM 212 CA TYR A 13 -0.915 3.365 8.073 1.00 0.00 C ATOM 213 C TYR A 13 -1.967 2.234 8.205 1.00 0.00 C ATOM 214 O TYR A 13 -3.108 2.476 8.630 1.00 0.00 O ATOM 215 CB TYR A 13 -1.044 4.081 6.714 1.00 0.00 C ATOM 216 CG TYR A 13 -2.389 4.788 6.487 1.00 0.00 C ATOM 217 CD1 TYR A 13 -2.847 5.763 7.374 1.00 0.00 C ATOM 218 CD2 TYR A 13 -3.192 4.483 5.387 1.00 0.00 C ATOM 219 CE1 TYR A 13 -4.050 6.405 7.167 1.00 0.00 C ATOM 220 CE2 TYR A 13 -4.390 5.124 5.182 1.00 0.00 C ATOM 221 CZ TYR A 13 -4.817 6.079 6.072 1.00 0.00 C ATOM 222 OH TYR A 13 -6.022 6.712 5.868 1.00 0.00 O ATOM 0 H TYR A 13 1.027 2.934 7.389 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.108 4.081 8.872 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.244 4.816 6.628 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.893 3.351 5.918 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.250 6.019 8.237 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.866 3.730 4.685 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.388 7.160 7.861 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.995 4.877 4.322 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.065 7.046 4.947 1.00 0.00 H new ATOM 232 N ILE A 14 -1.561 0.999 7.842 1.00 0.00 N ATOM 233 CA ILE A 14 -2.387 -0.204 8.034 1.00 0.00 C ATOM 234 C ILE A 14 -2.539 -0.506 9.542 1.00 0.00 C ATOM 235 O ILE A 14 -3.576 -0.988 9.986 1.00 0.00 O ATOM 236 CB ILE A 14 -1.783 -1.438 7.262 1.00 0.00 C ATOM 237 CG1 ILE A 14 -1.641 -1.112 5.737 1.00 0.00 C ATOM 238 CG2 ILE A 14 -2.637 -2.721 7.462 1.00 0.00 C ATOM 239 CD1 ILE A 14 -0.714 -2.037 4.977 1.00 0.00 C ATOM 0 H ILE A 14 -0.656 0.812 7.410 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.377 -0.016 7.618 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.795 -1.632 7.679 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.629 -1.151 5.277 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.280 -0.089 5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.186 -3.548 6.913 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.678 -2.969 8.523 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.647 -2.547 7.091 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.677 -1.736 3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.287 -1.982 5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.083 -3.060 5.047 1.00 0.00 H new ATOM 251 N MET A 15 -1.492 -0.190 10.317 1.00 0.00 N ATOM 252 CA MET A 15 -1.489 -0.345 11.786 1.00 0.00 C ATOM 253 C MET A 15 -2.212 0.830 12.486 1.00 0.00 C ATOM 254 O MET A 15 -2.809 0.644 13.551 1.00 0.00 O ATOM 255 CB MET A 15 -0.029 -0.431 12.296 1.00 0.00 C ATOM 256 CG MET A 15 0.799 -1.537 11.644 1.00 0.00 C ATOM 257 SD MET A 15 2.551 -1.471 12.065 1.00 0.00 S ATOM 258 CE MET A 15 2.470 -1.687 13.835 1.00 0.00 C ATOM 0 H MET A 15 -0.618 0.182 9.945 1.00 0.00 H new ATOM 0 HA MET A 15 -2.026 -1.262 12.027 1.00 0.00 H new ATOM 0 HB2 MET A 15 0.462 0.526 12.121 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.042 -0.590 13.374 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.398 -2.505 11.945 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.691 -1.470 10.561 1.00 0.00 H new ATOM 0 HE1 MET A 15 3.225 -2.407 14.149 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.653 -0.732 14.327 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.482 -2.054 14.112 1.00 0.00 H new ATOM 268 N GLU A 16 -2.128 2.035 11.881 1.00 0.00 N ATOM 269 CA GLU A 16 -2.677 3.282 12.460 1.00 0.00 C ATOM 270 C GLU A 16 -4.206 3.310 12.314 1.00 0.00 C ATOM 271 O GLU A 16 -4.935 3.386 13.306 1.00 0.00 O ATOM 272 CB GLU A 16 -2.064 4.539 11.762 1.00 0.00 C ATOM 273 CG GLU A 16 -0.526 4.676 11.855 1.00 0.00 C ATOM 274 CD GLU A 16 0.018 5.052 13.244 1.00 0.00 C ATOM 275 OE1 GLU A 16 0.016 4.194 14.158 1.00 0.00 O ATOM 276 OE2 GLU A 16 0.479 6.201 13.420 1.00 0.00 O ATOM 0 H GLU A 16 -1.677 2.171 10.976 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.414 3.305 13.517 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.345 4.520 10.709 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.516 5.430 12.197 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.075 3.732 11.550 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.201 5.431 11.139 1.00 0.00 H new ATOM 283 N ASP A 17 -4.674 3.255 11.060 1.00 0.00 N ATOM 284 CA ASP A 17 -6.090 3.463 10.721 1.00 0.00 C ATOM 285 C ASP A 17 -6.835 2.130 10.534 1.00 0.00 C ATOM 286 O ASP A 17 -7.869 1.899 11.166 1.00 0.00 O ATOM 287 CB ASP A 17 -6.185 4.321 9.431 1.00 0.00 C ATOM 288 CG ASP A 17 -7.629 4.646 9.013 1.00 0.00 C ATOM 289 OD1 ASP A 17 -8.353 5.272 9.820 1.00 0.00 O ATOM 290 OD2 ASP A 17 -8.050 4.304 7.884 1.00 0.00 O ATOM 0 H ASP A 17 -4.082 3.065 10.251 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.569 3.985 11.549 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.641 5.253 9.584 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.690 3.793 8.616 1.00 0.00 H new ATOM 295 N LEU A 18 -6.285 1.254 9.677 1.00 0.00 N ATOM 296 CA LEU A 18 -7.018 0.087 9.137 1.00 0.00 C ATOM 297 C LEU A 18 -7.253 -0.998 10.212 1.00 0.00 C ATOM 298 O LEU A 18 -8.356 -1.536 10.334 1.00 0.00 O ATOM 299 CB LEU A 18 -6.256 -0.470 7.909 1.00 0.00 C ATOM 300 CG LEU A 18 -5.850 0.600 6.833 1.00 0.00 C ATOM 301 CD1 LEU A 18 -5.130 -0.042 5.639 1.00 0.00 C ATOM 302 CD2 LEU A 18 -7.054 1.448 6.368 1.00 0.00 C ATOM 0 H LEU A 18 -5.326 1.330 9.338 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.009 0.411 8.819 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.353 -0.971 8.258 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.876 -1.227 7.429 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.149 1.278 7.319 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.865 0.730 4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.225 -0.541 5.985 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.788 -0.771 5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.723 2.173 5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.810 0.797 5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.481 1.973 7.222 1.00 0.00 H new ATOM 314 N ILE A 19 -6.208 -1.299 10.988 1.00 0.00 N ATOM 315 CA ILE A 19 -6.267 -2.257 12.118 1.00 0.00 C ATOM 316 C ILE A 19 -6.045 -1.481 13.436 1.00 0.00 C ATOM 317 O ILE A 19 -5.482 -0.380 13.418 1.00 0.00 O ATOM 318 CB ILE A 19 -5.163 -3.381 11.968 1.00 0.00 C ATOM 319 CG1 ILE A 19 -5.103 -3.929 10.506 1.00 0.00 C ATOM 320 CG2 ILE A 19 -5.392 -4.550 12.971 1.00 0.00 C ATOM 321 CD1 ILE A 19 -3.934 -4.867 10.251 1.00 0.00 C ATOM 0 H ILE A 19 -5.285 -0.886 10.856 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.243 -2.742 12.123 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.205 -2.916 12.202 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.033 -4.454 10.286 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.040 -3.088 9.815 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.614 -5.302 12.837 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.355 -4.167 13.991 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.367 -5.001 12.788 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.959 -5.206 9.215 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.998 -4.341 10.438 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.006 -5.727 10.916 1.00 0.00 H new ATOM 333 N GLY A 20 -6.484 -2.054 14.567 1.00 0.00 N ATOM 334 CA GLY A 20 -6.357 -1.416 15.883 1.00 0.00 C ATOM 335 C GLY A 20 -5.432 -2.201 16.827 1.00 0.00 C ATOM 336 O GLY A 20 -4.210 -2.119 16.680 1.00 0.00 O ATOM 0 H GLY A 20 -6.935 -2.969 14.594 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.970 -0.405 15.758 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.344 -1.326 16.337 1.00 0.00 H new ATOM 340 N PRO A 21 -5.991 -3.015 17.787 1.00 0.00 N ATOM 341 CA PRO A 21 -5.190 -3.704 18.841 1.00 0.00 C ATOM 342 C PRO A 21 -4.505 -5.001 18.345 1.00 0.00 C ATOM 343 O PRO A 21 -3.669 -5.580 19.049 1.00 0.00 O ATOM 344 CB PRO A 21 -6.261 -3.990 19.922 1.00 0.00 C ATOM 345 CG PRO A 21 -7.525 -4.237 19.142 1.00 0.00 C ATOM 346 CD PRO A 21 -7.443 -3.336 17.913 1.00 0.00 C ATOM 0 HA PRO A 21 -4.350 -3.105 19.192 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.993 -4.855 20.528 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.373 -3.146 20.603 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.607 -5.285 18.853 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.405 -4.002 19.740 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.817 -3.842 17.023 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.040 -2.433 18.041 1.00 0.00 H new ATOM 354 N SER A 22 -4.863 -5.436 17.125 1.00 0.00 N ATOM 355 CA SER A 22 -4.285 -6.633 16.481 1.00 0.00 C ATOM 356 C SER A 22 -3.088 -6.247 15.583 1.00 0.00 C ATOM 357 O SER A 22 -2.537 -7.086 14.860 1.00 0.00 O ATOM 358 CB SER A 22 -5.388 -7.341 15.664 1.00 0.00 C ATOM 359 OG SER A 22 -4.987 -8.627 15.217 1.00 0.00 O ATOM 0 H SER A 22 -5.565 -4.966 16.553 1.00 0.00 H new ATOM 0 HA SER A 22 -3.910 -7.315 17.245 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.286 -7.435 16.275 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.651 -6.726 14.804 1.00 0.00 H new ATOM 0 HG SER A 22 -4.044 -8.602 14.952 1.00 0.00 H new ATOM 365 N ALA A 23 -2.664 -4.977 15.673 1.00 0.00 N ATOM 366 CA ALA A 23 -1.592 -4.421 14.855 1.00 0.00 C ATOM 367 C ALA A 23 -0.387 -4.197 15.752 1.00 0.00 C ATOM 368 O ALA A 23 -0.063 -3.062 16.129 1.00 0.00 O ATOM 369 CB ALA A 23 -2.046 -3.126 14.173 1.00 0.00 C ATOM 0 H ALA A 23 -3.066 -4.304 16.326 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.323 -5.112 14.056 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.231 -2.728 13.568 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.905 -3.333 13.534 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.326 -2.394 14.931 1.00 0.00 H new ATOM 375 N LYS A 24 0.225 -5.322 16.156 1.00 0.00 N ATOM 376 CA LYS A 24 1.437 -5.314 16.979 1.00 0.00 C ATOM 377 C LYS A 24 2.580 -4.644 16.185 1.00 0.00 C ATOM 378 O LYS A 24 2.556 -4.664 14.947 1.00 0.00 O ATOM 379 CB LYS A 24 1.794 -6.765 17.409 1.00 0.00 C ATOM 380 CG LYS A 24 3.039 -6.935 18.307 1.00 0.00 C ATOM 381 CD LYS A 24 2.914 -6.191 19.658 1.00 0.00 C ATOM 382 CE LYS A 24 4.072 -6.504 20.624 1.00 0.00 C ATOM 383 NZ LYS A 24 4.111 -7.949 20.978 1.00 0.00 N ATOM 0 H LYS A 24 -0.108 -6.257 15.921 1.00 0.00 H new ATOM 0 HA LYS A 24 1.275 -4.738 17.890 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.936 -7.185 17.934 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.940 -7.361 16.508 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.202 -7.996 18.496 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.917 -6.567 17.776 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.881 -5.117 19.474 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.970 -6.462 20.130 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.018 -6.215 20.166 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.962 -5.909 21.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.736 -8.089 21.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.152 -8.275 21.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.472 -8.495 20.170 1.00 0.00 H new ATOM 397 N GLU A 25 3.563 -4.073 16.907 1.00 0.00 N ATOM 398 CA GLU A 25 4.657 -3.250 16.335 1.00 0.00 C ATOM 399 C GLU A 25 5.386 -3.911 15.135 1.00 0.00 C ATOM 400 O GLU A 25 5.922 -3.201 14.275 1.00 0.00 O ATOM 401 CB GLU A 25 5.679 -2.907 17.441 1.00 0.00 C ATOM 402 CG GLU A 25 5.081 -2.202 18.673 1.00 0.00 C ATOM 403 CD GLU A 25 6.150 -1.793 19.694 1.00 0.00 C ATOM 404 OE1 GLU A 25 6.716 -0.684 19.562 1.00 0.00 O ATOM 405 OE2 GLU A 25 6.451 -2.586 20.612 1.00 0.00 O ATOM 0 H GLU A 25 3.624 -4.169 17.921 1.00 0.00 H new ATOM 0 HA GLU A 25 4.188 -2.347 15.944 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.165 -3.827 17.766 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.454 -2.270 17.015 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.534 -1.316 18.350 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.360 -2.865 19.152 1.00 0.00 H new ATOM 412 N ASP A 26 5.365 -5.253 15.062 1.00 0.00 N ATOM 413 CA ASP A 26 6.073 -6.017 14.010 1.00 0.00 C ATOM 414 C ASP A 26 5.142 -7.072 13.359 1.00 0.00 C ATOM 415 O ASP A 26 5.611 -8.033 12.731 1.00 0.00 O ATOM 416 CB ASP A 26 7.338 -6.667 14.643 1.00 0.00 C ATOM 417 CG ASP A 26 8.350 -7.228 13.630 1.00 0.00 C ATOM 418 OD1 ASP A 26 8.789 -6.472 12.734 1.00 0.00 O ATOM 419 OD2 ASP A 26 8.725 -8.419 13.724 1.00 0.00 O ATOM 0 H ASP A 26 4.860 -5.840 15.726 1.00 0.00 H new ATOM 0 HA ASP A 26 6.380 -5.347 13.207 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.840 -5.924 15.263 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.022 -7.474 15.305 1.00 0.00 H new ATOM 424 N GLU A 27 3.807 -6.864 13.479 1.00 0.00 N ATOM 425 CA GLU A 27 2.807 -7.706 12.788 1.00 0.00 C ATOM 426 C GLU A 27 2.828 -7.384 11.296 1.00 0.00 C ATOM 427 O GLU A 27 2.922 -8.276 10.445 1.00 0.00 O ATOM 428 CB GLU A 27 1.358 -7.497 13.359 1.00 0.00 C ATOM 429 CG GLU A 27 0.951 -8.466 14.474 1.00 0.00 C ATOM 430 CD GLU A 27 1.046 -9.942 14.065 1.00 0.00 C ATOM 431 OE1 GLU A 27 0.174 -10.417 13.315 1.00 0.00 O ATOM 432 OE2 GLU A 27 1.998 -10.635 14.498 1.00 0.00 O ATOM 0 H GLU A 27 3.402 -6.121 14.048 1.00 0.00 H new ATOM 0 HA GLU A 27 3.072 -8.750 12.956 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.277 -6.478 13.737 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.645 -7.590 12.540 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.587 -8.296 15.343 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.072 -8.247 14.780 1.00 0.00 H new ATOM 439 N LEU A 28 2.717 -6.083 11.001 1.00 0.00 N ATOM 440 CA LEU A 28 2.770 -5.569 9.638 1.00 0.00 C ATOM 441 C LEU A 28 4.228 -5.373 9.234 1.00 0.00 C ATOM 442 O LEU A 28 4.994 -4.675 9.908 1.00 0.00 O ATOM 443 CB LEU A 28 1.946 -4.257 9.488 1.00 0.00 C ATOM 444 CG LEU A 28 0.392 -4.437 9.395 1.00 0.00 C ATOM 445 CD1 LEU A 28 0.015 -5.298 8.180 1.00 0.00 C ATOM 446 CD2 LEU A 28 -0.204 -5.025 10.691 1.00 0.00 C ATOM 0 H LEU A 28 2.588 -5.359 11.708 1.00 0.00 H new ATOM 0 HA LEU A 28 2.313 -6.294 8.965 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.168 -3.611 10.337 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.287 -3.736 8.593 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.040 -3.445 9.265 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.068 -5.410 8.135 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.368 -4.816 7.269 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.478 -6.281 8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.283 -5.132 10.580 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.239 -6.002 10.885 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.010 -4.357 11.526 1.00 0.00 H new ATOM 458 N ASP A 29 4.582 -6.060 8.165 1.00 0.00 N ATOM 459 CA ASP A 29 5.876 -5.984 7.490 1.00 0.00 C ATOM 460 C ASP A 29 5.588 -5.705 6.001 1.00 0.00 C ATOM 461 O ASP A 29 4.419 -5.661 5.577 1.00 0.00 O ATOM 462 CB ASP A 29 6.640 -7.333 7.700 1.00 0.00 C ATOM 463 CG ASP A 29 8.105 -7.318 7.224 1.00 0.00 C ATOM 464 OD1 ASP A 29 8.967 -6.789 7.953 1.00 0.00 O ATOM 465 OD2 ASP A 29 8.396 -7.818 6.112 1.00 0.00 O ATOM 0 H ASP A 29 3.948 -6.721 7.717 1.00 0.00 H new ATOM 0 HA ASP A 29 6.508 -5.191 7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.618 -7.587 8.760 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.108 -8.124 7.171 1.00 0.00 H new ATOM 470 N ASP A 30 6.644 -5.524 5.219 1.00 0.00 N ATOM 471 CA ASP A 30 6.542 -5.259 3.775 1.00 0.00 C ATOM 472 C ASP A 30 6.362 -6.566 2.974 1.00 0.00 C ATOM 473 O ASP A 30 5.916 -6.552 1.819 1.00 0.00 O ATOM 474 CB ASP A 30 7.775 -4.466 3.297 1.00 0.00 C ATOM 475 CG ASP A 30 9.111 -5.178 3.553 1.00 0.00 C ATOM 476 OD1 ASP A 30 9.580 -5.167 4.707 1.00 0.00 O ATOM 477 OD2 ASP A 30 9.706 -5.733 2.605 1.00 0.00 O ATOM 0 H ASP A 30 7.604 -5.555 5.562 1.00 0.00 H new ATOM 0 HA ASP A 30 5.654 -4.654 3.595 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.677 -4.271 2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.789 -3.498 3.798 1.00 0.00 H new ATOM 482 N GLN A 31 6.700 -7.689 3.612 1.00 0.00 N ATOM 483 CA GLN A 31 6.580 -9.040 3.033 1.00 0.00 C ATOM 484 C GLN A 31 5.421 -9.803 3.699 1.00 0.00 C ATOM 485 O GLN A 31 5.255 -11.011 3.482 1.00 0.00 O ATOM 486 CB GLN A 31 7.912 -9.821 3.203 1.00 0.00 C ATOM 487 CG GLN A 31 9.124 -9.159 2.531 1.00 0.00 C ATOM 488 CD GLN A 31 10.403 -9.981 2.656 1.00 0.00 C ATOM 489 OE1 GLN A 31 11.168 -9.822 3.608 1.00 0.00 O ATOM 490 NE2 GLN A 31 10.638 -10.869 1.707 1.00 0.00 N ATOM 0 H GLN A 31 7.072 -7.691 4.562 1.00 0.00 H new ATOM 0 HA GLN A 31 6.368 -8.946 1.968 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.119 -9.935 4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.787 -10.823 2.793 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.904 -8.999 1.475 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.286 -8.177 2.975 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.982 -10.974 0.933 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.475 -11.450 1.748 1.00 0.00 H new ATOM 499 N THR A 32 4.643 -9.089 4.543 1.00 0.00 N ATOM 500 CA THR A 32 3.414 -9.611 5.127 1.00 0.00 C ATOM 501 C THR A 32 2.362 -9.851 4.021 1.00 0.00 C ATOM 502 O THR A 32 2.167 -8.979 3.157 1.00 0.00 O ATOM 503 CB THR A 32 2.869 -8.648 6.239 1.00 0.00 C ATOM 504 OG1 THR A 32 3.745 -8.682 7.371 1.00 0.00 O ATOM 505 CG2 THR A 32 1.446 -8.993 6.707 1.00 0.00 C ATOM 0 H THR A 32 4.861 -8.135 4.831 1.00 0.00 H new ATOM 0 HA THR A 32 3.630 -10.567 5.604 1.00 0.00 H new ATOM 0 HB THR A 32 2.830 -7.654 5.794 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.226 -8.542 8.190 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.134 -8.286 7.476 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.761 -8.935 5.861 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.432 -10.003 7.116 1.00 0.00 H new ATOM 513 N PRO A 33 1.704 -11.055 4.016 1.00 0.00 N ATOM 514 CA PRO A 33 0.607 -11.351 3.088 1.00 0.00 C ATOM 515 C PRO A 33 -0.668 -10.580 3.498 1.00 0.00 C ATOM 516 O PRO A 33 -1.551 -11.110 4.179 1.00 0.00 O ATOM 517 CB PRO A 33 0.461 -12.889 3.207 1.00 0.00 C ATOM 518 CG PRO A 33 0.924 -13.223 4.594 1.00 0.00 C ATOM 519 CD PRO A 33 2.000 -12.214 4.921 1.00 0.00 C ATOM 0 HA PRO A 33 0.788 -11.043 2.058 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.572 -13.199 3.052 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.064 -13.401 2.457 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.101 -13.162 5.306 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.313 -14.240 4.642 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.965 -11.920 5.970 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.995 -12.619 4.737 1.00 0.00 H new ATOM 527 N LEU A 34 -0.712 -9.299 3.082 1.00 0.00 N ATOM 528 CA LEU A 34 -1.713 -8.314 3.527 1.00 0.00 C ATOM 529 C LEU A 34 -3.140 -8.772 3.184 1.00 0.00 C ATOM 530 O LEU A 34 -3.998 -8.942 4.059 1.00 0.00 O ATOM 531 CB LEU A 34 -1.433 -6.944 2.851 1.00 0.00 C ATOM 532 CG LEU A 34 0.009 -6.365 3.018 1.00 0.00 C ATOM 533 CD1 LEU A 34 0.164 -5.043 2.249 1.00 0.00 C ATOM 534 CD2 LEU A 34 0.384 -6.196 4.505 1.00 0.00 C ATOM 0 H LEU A 34 -0.041 -8.915 2.416 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.636 -8.219 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.640 -7.041 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.141 -6.217 3.249 1.00 0.00 H new ATOM 0 HG LEU A 34 0.705 -7.086 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.176 -4.661 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.023 -5.215 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.551 -4.314 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.393 -5.791 4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.318 -5.512 4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.343 -7.165 5.003 1.00 0.00 H new ATOM 546 N LEU A 35 -3.354 -9.014 1.889 1.00 0.00 N ATOM 547 CA LEU A 35 -4.671 -9.368 1.349 1.00 0.00 C ATOM 548 C LEU A 35 -5.094 -10.790 1.779 1.00 0.00 C ATOM 549 O LEU A 35 -6.292 -11.094 1.863 1.00 0.00 O ATOM 550 CB LEU A 35 -4.647 -9.268 -0.184 1.00 0.00 C ATOM 551 CG LEU A 35 -6.044 -9.173 -0.853 1.00 0.00 C ATOM 552 CD1 LEU A 35 -6.679 -7.788 -0.612 1.00 0.00 C ATOM 553 CD2 LEU A 35 -5.965 -9.515 -2.344 1.00 0.00 C ATOM 0 H LEU A 35 -2.619 -8.970 1.183 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.402 -8.666 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.064 -8.392 -0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.128 -10.139 -0.583 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.695 -9.913 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.657 -7.748 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.793 -7.621 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.037 -7.015 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.958 -9.440 -2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.292 -8.817 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.589 -10.531 -2.465 1.00 0.00 H new ATOM 565 N GLU A 36 -4.087 -11.642 2.045 1.00 0.00 N ATOM 566 CA GLU A 36 -4.287 -13.015 2.533 1.00 0.00 C ATOM 567 C GLU A 36 -4.891 -12.993 3.953 1.00 0.00 C ATOM 568 O GLU A 36 -5.752 -13.817 4.288 1.00 0.00 O ATOM 569 CB GLU A 36 -2.939 -13.776 2.507 1.00 0.00 C ATOM 570 CG GLU A 36 -2.999 -15.240 2.987 1.00 0.00 C ATOM 571 CD GLU A 36 -3.927 -16.102 2.117 1.00 0.00 C ATOM 572 OE1 GLU A 36 -3.491 -16.543 1.033 1.00 0.00 O ATOM 573 OE2 GLU A 36 -5.099 -16.330 2.500 1.00 0.00 O ATOM 0 H GLU A 36 -3.105 -11.393 1.926 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.989 -13.535 1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.552 -13.761 1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.224 -13.236 3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.995 -15.665 2.975 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.345 -15.267 4.020 1.00 0.00 H new ATOM 580 N TRP A 37 -4.447 -12.016 4.767 1.00 0.00 N ATOM 581 CA TRP A 37 -5.032 -11.749 6.097 1.00 0.00 C ATOM 582 C TRP A 37 -6.441 -11.122 5.957 1.00 0.00 C ATOM 583 O TRP A 37 -7.255 -11.204 6.883 1.00 0.00 O ATOM 584 CB TRP A 37 -4.108 -10.797 6.911 1.00 0.00 C ATOM 585 CG TRP A 37 -2.785 -11.391 7.358 1.00 0.00 C ATOM 586 CD1 TRP A 37 -2.211 -12.572 6.958 1.00 0.00 C ATOM 587 CD2 TRP A 37 -1.874 -10.812 8.309 1.00 0.00 C ATOM 588 NE1 TRP A 37 -1.010 -12.755 7.599 1.00 0.00 N ATOM 589 CE2 TRP A 37 -0.784 -11.695 8.433 1.00 0.00 C ATOM 590 CE3 TRP A 37 -1.882 -9.629 9.068 1.00 0.00 C ATOM 591 CZ2 TRP A 37 0.286 -11.436 9.281 1.00 0.00 C ATOM 592 CZ3 TRP A 37 -0.813 -9.375 9.911 1.00 0.00 C ATOM 593 CH2 TRP A 37 0.256 -10.276 10.012 1.00 0.00 C ATOM 0 H TRP A 37 -3.677 -11.392 4.524 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.122 -12.697 6.627 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.903 -9.914 6.306 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.651 -10.460 7.794 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.641 -13.258 6.243 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.387 -13.553 7.473 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.704 -8.933 8.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.114 -12.125 9.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.803 -8.469 10.499 1.00 0.00 H new ATOM 0 HH2 TRP A 37 1.074 -10.052 10.680 1.00 0.00 H new ATOM 604 N GLY A 38 -6.713 -10.501 4.789 1.00 0.00 N ATOM 605 CA GLY A 38 -8.000 -9.844 4.523 1.00 0.00 C ATOM 606 C GLY A 38 -8.137 -8.504 5.231 1.00 0.00 C ATOM 607 O GLY A 38 -9.246 -7.974 5.362 1.00 0.00 O ATOM 0 H GLY A 38 -6.051 -10.444 4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.111 -9.695 3.449 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.810 -10.501 4.839 1.00 0.00 H new ATOM 611 N ILE A 39 -6.990 -7.948 5.665 1.00 0.00 N ATOM 612 CA ILE A 39 -6.913 -6.632 6.331 1.00 0.00 C ATOM 613 C ILE A 39 -7.114 -5.498 5.313 1.00 0.00 C ATOM 614 O ILE A 39 -7.384 -4.365 5.695 1.00 0.00 O ATOM 615 CB ILE A 39 -5.528 -6.451 7.056 1.00 0.00 C ATOM 616 CG1 ILE A 39 -4.357 -6.486 6.020 1.00 0.00 C ATOM 617 CG2 ILE A 39 -5.348 -7.524 8.159 1.00 0.00 C ATOM 618 CD1 ILE A 39 -2.967 -6.371 6.600 1.00 0.00 C ATOM 0 H ILE A 39 -6.083 -8.403 5.563 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.708 -6.588 7.075 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.510 -5.474 7.540 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.421 -7.418 5.458 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.502 -5.674 5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.385 -7.383 8.650 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.147 -7.428 8.894 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.385 -8.517 7.710 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.233 -6.406 5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.873 -5.426 7.135 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.791 -7.197 7.289 1.00 0.00 H new ATOM 630 N LEU A 40 -6.935 -5.828 4.014 1.00 0.00 N ATOM 631 CA LEU A 40 -7.191 -4.912 2.895 1.00 0.00 C ATOM 632 C LEU A 40 -8.434 -5.406 2.140 1.00 0.00 C ATOM 633 O LEU A 40 -8.596 -6.615 1.929 1.00 0.00 O ATOM 634 CB LEU A 40 -5.979 -4.855 1.909 1.00 0.00 C ATOM 635 CG LEU A 40 -4.567 -4.539 2.507 1.00 0.00 C ATOM 636 CD1 LEU A 40 -3.533 -4.328 1.377 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.601 -3.338 3.487 1.00 0.00 C ATOM 0 H LEU A 40 -6.606 -6.747 3.717 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.346 -3.909 3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.919 -5.815 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.198 -4.102 1.152 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.256 -5.404 3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.558 -4.109 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.466 -5.232 0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.845 -3.493 0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.599 -3.157 3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.952 -2.450 2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.276 -3.562 4.313 1.00 0.00 H new ATOM 649 N ASN A 41 -9.296 -4.463 1.742 1.00 0.00 N ATOM 650 CA ASN A 41 -10.500 -4.747 0.935 1.00 0.00 C ATOM 651 C ASN A 41 -10.906 -3.486 0.145 1.00 0.00 C ATOM 652 O ASN A 41 -10.224 -2.462 0.232 1.00 0.00 O ATOM 653 CB ASN A 41 -11.657 -5.316 1.824 1.00 0.00 C ATOM 654 CG ASN A 41 -12.149 -4.392 2.953 1.00 0.00 C ATOM 655 OD1 ASN A 41 -12.151 -3.173 2.834 1.00 0.00 O ATOM 656 ND2 ASN A 41 -12.599 -4.979 4.060 1.00 0.00 N ATOM 0 H ASN A 41 -9.182 -3.475 1.969 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.274 -5.528 0.208 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.503 -5.553 1.179 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.322 -6.254 2.267 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.954 -4.412 4.830 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.588 -5.996 4.138 1.00 0.00 H new ATOM 663 N SER A 42 -12.008 -3.577 -0.619 1.00 0.00 N ATOM 664 CA SER A 42 -12.492 -2.490 -1.502 1.00 0.00 C ATOM 665 C SER A 42 -12.974 -1.267 -0.693 1.00 0.00 C ATOM 666 O SER A 42 -12.912 -0.130 -1.176 1.00 0.00 O ATOM 667 CB SER A 42 -13.629 -3.036 -2.390 1.00 0.00 C ATOM 668 OG SER A 42 -14.093 -2.091 -3.354 1.00 0.00 O ATOM 0 H SER A 42 -12.595 -4.411 -0.645 1.00 0.00 H new ATOM 0 HA SER A 42 -11.664 -2.152 -2.125 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.280 -3.930 -2.906 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.463 -3.338 -1.756 1.00 0.00 H new ATOM 0 HG SER A 42 -14.810 -2.493 -3.887 1.00 0.00 H new ATOM 673 N MET A 43 -13.462 -1.511 0.536 1.00 0.00 N ATOM 674 CA MET A 43 -13.877 -0.433 1.464 1.00 0.00 C ATOM 675 C MET A 43 -12.639 0.311 2.008 1.00 0.00 C ATOM 676 O MET A 43 -12.645 1.529 2.209 1.00 0.00 O ATOM 677 CB MET A 43 -14.710 -1.023 2.635 1.00 0.00 C ATOM 678 CG MET A 43 -15.274 -0.003 3.657 1.00 0.00 C ATOM 679 SD MET A 43 -16.692 0.963 3.049 1.00 0.00 S ATOM 680 CE MET A 43 -15.959 2.255 2.034 1.00 0.00 C ATOM 0 H MET A 43 -13.581 -2.450 0.916 1.00 0.00 H new ATOM 0 HA MET A 43 -14.498 0.278 0.918 1.00 0.00 H new ATOM 0 HB2 MET A 43 -15.545 -1.583 2.213 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.087 -1.737 3.173 1.00 0.00 H new ATOM 0 HG2 MET A 43 -15.574 -0.538 4.558 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.478 0.684 3.944 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.561 3.160 2.107 1.00 0.00 H new ATOM 0 HE2 MET A 43 -14.948 2.463 2.384 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.923 1.925 0.996 1.00 0.00 H new ATOM 690 N ASN A 44 -11.584 -0.465 2.217 1.00 0.00 N ATOM 691 CA ASN A 44 -10.317 -0.025 2.804 1.00 0.00 C ATOM 692 C ASN A 44 -9.438 0.673 1.750 1.00 0.00 C ATOM 693 O ASN A 44 -8.716 1.630 2.075 1.00 0.00 O ATOM 694 CB ASN A 44 -9.618 -1.285 3.404 1.00 0.00 C ATOM 695 CG ASN A 44 -8.203 -1.102 3.968 1.00 0.00 C ATOM 696 OD1 ASN A 44 -7.374 -0.361 3.451 1.00 0.00 O ATOM 697 ND2 ASN A 44 -7.913 -1.800 5.049 1.00 0.00 N ATOM 0 H ASN A 44 -11.583 -1.456 1.975 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.489 0.709 3.591 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.251 -1.675 4.201 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.576 -2.049 2.628 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.986 -1.728 5.469 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.616 -2.411 5.465 1.00 0.00 H new ATOM 704 N ILE A 45 -9.555 0.207 0.488 1.00 0.00 N ATOM 705 CA ILE A 45 -8.589 0.500 -0.591 1.00 0.00 C ATOM 706 C ILE A 45 -8.397 2.015 -0.811 1.00 0.00 C ATOM 707 O ILE A 45 -7.282 2.470 -1.063 1.00 0.00 O ATOM 708 CB ILE A 45 -9.013 -0.198 -1.952 1.00 0.00 C ATOM 709 CG1 ILE A 45 -7.794 -0.322 -2.911 1.00 0.00 C ATOM 710 CG2 ILE A 45 -10.196 0.525 -2.660 1.00 0.00 C ATOM 711 CD1 ILE A 45 -6.699 -1.242 -2.406 1.00 0.00 C ATOM 0 H ILE A 45 -10.328 -0.387 0.188 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.633 0.087 -0.267 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.365 -1.197 -1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.142 -0.686 -3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.373 0.670 -3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -10.441 0.002 -3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.066 0.528 -2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.910 1.552 -2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.887 -1.273 -3.132 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.321 -0.869 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.102 -2.246 -2.269 1.00 0.00 H new ATOM 723 N VAL A 46 -9.496 2.775 -0.651 1.00 0.00 N ATOM 724 CA VAL A 46 -9.535 4.216 -0.911 1.00 0.00 C ATOM 725 C VAL A 46 -8.627 4.996 0.063 1.00 0.00 C ATOM 726 O VAL A 46 -7.961 5.946 -0.358 1.00 0.00 O ATOM 727 CB VAL A 46 -11.018 4.761 -0.845 1.00 0.00 C ATOM 728 CG1 VAL A 46 -11.857 4.220 -2.029 1.00 0.00 C ATOM 729 CG2 VAL A 46 -11.697 4.425 0.520 1.00 0.00 C ATOM 0 H VAL A 46 -10.389 2.397 -0.334 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.152 4.374 -1.919 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.972 5.847 -0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.873 4.608 -1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.408 4.539 -2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.882 3.131 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.714 4.816 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.723 3.344 0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.128 4.880 1.331 1.00 0.00 H new ATOM 739 N LYS A 47 -8.572 4.556 1.345 1.00 0.00 N ATOM 740 CA LYS A 47 -7.748 5.220 2.370 1.00 0.00 C ATOM 741 C LYS A 47 -6.262 5.038 2.055 1.00 0.00 C ATOM 742 O LYS A 47 -5.464 5.951 2.275 1.00 0.00 O ATOM 743 CB LYS A 47 -8.058 4.717 3.805 1.00 0.00 C ATOM 744 CG LYS A 47 -9.488 5.063 4.296 1.00 0.00 C ATOM 745 CD LYS A 47 -10.488 3.903 4.120 1.00 0.00 C ATOM 746 CE LYS A 47 -10.279 2.794 5.162 1.00 0.00 C ATOM 747 NZ LYS A 47 -10.386 3.306 6.555 1.00 0.00 N ATOM 0 H LYS A 47 -9.089 3.746 1.687 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.000 6.280 2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.925 3.636 3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.333 5.148 4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.446 5.341 5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.852 5.934 3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.505 4.287 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.383 3.484 3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.018 2.008 5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.298 2.341 5.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.727 2.547 7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.452 3.628 6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.055 4.102 6.582 1.00 0.00 H new ATOM 761 N LEU A 48 -5.901 3.845 1.546 1.00 0.00 N ATOM 762 CA LEU A 48 -4.537 3.573 1.103 1.00 0.00 C ATOM 763 C LEU A 48 -4.201 4.417 -0.129 1.00 0.00 C ATOM 764 O LEU A 48 -3.203 5.110 -0.126 1.00 0.00 O ATOM 765 CB LEU A 48 -4.308 2.057 0.833 1.00 0.00 C ATOM 766 CG LEU A 48 -4.142 1.161 2.099 1.00 0.00 C ATOM 767 CD1 LEU A 48 -3.882 -0.310 1.720 1.00 0.00 C ATOM 768 CD2 LEU A 48 -3.025 1.704 3.027 1.00 0.00 C ATOM 0 H LEU A 48 -6.542 3.059 1.435 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.859 3.855 1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.149 1.679 0.251 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.418 1.948 0.214 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.082 1.197 2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.771 -0.905 2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.721 -0.689 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.969 -0.377 1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.932 1.059 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.079 1.720 2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.277 2.715 3.347 1.00 0.00 H new ATOM 780 N MET A 49 -5.071 4.420 -1.149 1.00 0.00 N ATOM 781 CA MET A 49 -4.761 5.073 -2.442 1.00 0.00 C ATOM 782 C MET A 49 -4.596 6.599 -2.317 1.00 0.00 C ATOM 783 O MET A 49 -3.800 7.190 -3.056 1.00 0.00 O ATOM 784 CB MET A 49 -5.817 4.734 -3.512 1.00 0.00 C ATOM 785 CG MET A 49 -5.909 3.238 -3.836 1.00 0.00 C ATOM 786 SD MET A 49 -6.542 2.937 -5.478 1.00 0.00 S ATOM 787 CE MET A 49 -8.214 3.546 -5.366 1.00 0.00 C ATOM 0 H MET A 49 -5.991 3.982 -1.111 1.00 0.00 H new ATOM 0 HA MET A 49 -3.799 4.670 -2.759 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.792 5.083 -3.171 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.584 5.281 -4.426 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.921 2.787 -3.742 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.554 2.749 -3.105 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.714 3.415 -6.326 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.752 2.992 -4.597 1.00 0.00 H new ATOM 0 HE3 MET A 49 -8.199 4.605 -5.106 1.00 0.00 H new ATOM 797 N VAL A 50 -5.340 7.224 -1.382 1.00 0.00 N ATOM 798 CA VAL A 50 -5.197 8.664 -1.089 1.00 0.00 C ATOM 799 C VAL A 50 -3.916 8.912 -0.258 1.00 0.00 C ATOM 800 O VAL A 50 -3.288 9.967 -0.385 1.00 0.00 O ATOM 801 CB VAL A 50 -6.456 9.274 -0.354 1.00 0.00 C ATOM 802 CG1 VAL A 50 -7.743 9.061 -1.194 1.00 0.00 C ATOM 803 CG2 VAL A 50 -6.624 8.718 1.087 1.00 0.00 C ATOM 0 H VAL A 50 -6.046 6.753 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.119 9.176 -2.048 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.285 10.346 -0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.596 9.489 -0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.631 9.550 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.907 7.994 -1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.502 9.167 1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.748 7.636 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.739 8.960 1.676 1.00 0.00 H new ATOM 813 N TYR A 51 -3.537 7.921 0.576 1.00 0.00 N ATOM 814 CA TYR A 51 -2.319 7.974 1.396 1.00 0.00 C ATOM 815 C TYR A 51 -1.062 7.910 0.498 1.00 0.00 C ATOM 816 O TYR A 51 -0.103 8.645 0.720 1.00 0.00 O ATOM 817 CB TYR A 51 -2.317 6.821 2.430 1.00 0.00 C ATOM 818 CG TYR A 51 -1.100 6.840 3.365 1.00 0.00 C ATOM 819 CD1 TYR A 51 -1.062 7.695 4.471 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.014 6.036 3.116 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.045 7.744 5.293 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.112 6.078 3.935 1.00 0.00 C ATOM 823 CZ TYR A 51 1.128 6.936 5.021 1.00 0.00 C ATOM 824 OH TYR A 51 2.242 7.005 5.825 1.00 0.00 O ATOM 0 H TYR A 51 -4.072 7.061 0.696 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.302 8.919 1.938 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.226 6.879 3.029 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.344 5.869 1.901 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.912 8.326 4.685 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.010 5.371 2.265 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.063 8.410 6.143 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.962 5.443 3.734 1.00 0.00 H new ATOM 0 HH TYR A 51 2.459 6.110 6.161 1.00 0.00 H new ATOM 834 N ILE A 52 -1.084 7.016 -0.515 1.00 0.00 N ATOM 835 CA ILE A 52 0.007 6.885 -1.510 1.00 0.00 C ATOM 836 C ILE A 52 0.022 8.134 -2.431 1.00 0.00 C ATOM 837 O ILE A 52 1.090 8.633 -2.802 1.00 0.00 O ATOM 838 CB ILE A 52 -0.091 5.528 -2.357 1.00 0.00 C ATOM 839 CG1 ILE A 52 0.337 4.255 -1.526 1.00 0.00 C ATOM 840 CG2 ILE A 52 0.758 5.588 -3.652 1.00 0.00 C ATOM 841 CD1 ILE A 52 -0.522 3.879 -0.336 1.00 0.00 C ATOM 0 H ILE A 52 -1.855 6.366 -0.667 1.00 0.00 H new ATOM 0 HA ILE A 52 0.952 6.829 -0.969 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.145 5.433 -2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.364 3.403 -2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.355 4.411 -1.170 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.662 4.647 -4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.406 6.407 -4.280 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.804 5.752 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.113 2.988 0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.532 4.701 0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.539 3.677 -0.671 1.00 0.00 H new ATOM 853 N ARG A 53 -1.181 8.655 -2.749 1.00 0.00 N ATOM 854 CA ARG A 53 -1.353 9.878 -3.571 1.00 0.00 C ATOM 855 C ARG A 53 -0.795 11.121 -2.853 1.00 0.00 C ATOM 856 O ARG A 53 -0.384 12.090 -3.495 1.00 0.00 O ATOM 857 CB ARG A 53 -2.852 10.077 -3.922 1.00 0.00 C ATOM 858 CG ARG A 53 -3.147 11.255 -4.879 1.00 0.00 C ATOM 859 CD ARG A 53 -4.651 11.498 -5.067 1.00 0.00 C ATOM 860 NE ARG A 53 -5.315 11.815 -3.789 1.00 0.00 N ATOM 861 CZ ARG A 53 -6.633 12.013 -3.616 1.00 0.00 C ATOM 862 NH1 ARG A 53 -7.483 11.929 -4.634 1.00 0.00 N ATOM 863 NH2 ARG A 53 -7.093 12.274 -2.408 1.00 0.00 N ATOM 0 H ARG A 53 -2.063 8.242 -2.445 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.787 9.749 -4.493 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.229 9.159 -4.373 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.409 10.231 -2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.682 12.161 -4.489 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.691 11.054 -5.848 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.802 12.318 -5.769 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.111 10.613 -5.507 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.721 11.891 -2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.139 11.711 -5.569 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.480 12.083 -4.480 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.450 12.324 -1.617 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.091 12.426 -2.264 1.00 0.00 H new ATOM 877 N ASP A 54 -0.787 11.072 -1.519 1.00 0.00 N ATOM 878 CA ASP A 54 -0.299 12.169 -0.675 1.00 0.00 C ATOM 879 C ASP A 54 1.227 12.049 -0.451 1.00 0.00 C ATOM 880 O ASP A 54 1.993 12.951 -0.813 1.00 0.00 O ATOM 881 CB ASP A 54 -1.069 12.134 0.668 1.00 0.00 C ATOM 882 CG ASP A 54 -0.594 13.187 1.674 1.00 0.00 C ATOM 883 OD1 ASP A 54 -0.907 14.381 1.488 1.00 0.00 O ATOM 884 OD2 ASP A 54 0.095 12.830 2.647 1.00 0.00 O ATOM 0 H ASP A 54 -1.120 10.266 -0.990 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.476 13.125 -1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.131 12.283 0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.963 11.145 1.113 1.00 0.00 H new ATOM 889 N GLU A 55 1.637 10.906 0.126 1.00 0.00 N ATOM 890 CA GLU A 55 3.029 10.632 0.542 1.00 0.00 C ATOM 891 C GLU A 55 3.956 10.449 -0.673 1.00 0.00 C ATOM 892 O GLU A 55 4.904 11.220 -0.870 1.00 0.00 O ATOM 893 CB GLU A 55 3.051 9.363 1.436 1.00 0.00 C ATOM 894 CG GLU A 55 2.410 9.527 2.825 1.00 0.00 C ATOM 895 CD GLU A 55 3.311 10.293 3.801 1.00 0.00 C ATOM 896 OE1 GLU A 55 4.196 9.657 4.420 1.00 0.00 O ATOM 897 OE2 GLU A 55 3.164 11.525 3.938 1.00 0.00 O ATOM 0 H GLU A 55 1.002 10.132 0.321 1.00 0.00 H new ATOM 0 HA GLU A 55 3.400 11.488 1.106 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.537 8.559 0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.086 9.048 1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.460 10.052 2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.187 8.543 3.237 1.00 0.00 H new ATOM 904 N MET A 56 3.665 9.417 -1.484 1.00 0.00 N ATOM 905 CA MET A 56 4.458 9.088 -2.686 1.00 0.00 C ATOM 906 C MET A 56 4.147 10.064 -3.839 1.00 0.00 C ATOM 907 O MET A 56 4.997 10.297 -4.705 1.00 0.00 O ATOM 908 CB MET A 56 4.181 7.625 -3.142 1.00 0.00 C ATOM 909 CG MET A 56 4.881 6.523 -2.319 1.00 0.00 C ATOM 910 SD MET A 56 3.744 5.324 -1.589 1.00 0.00 S ATOM 911 CE MET A 56 3.383 6.082 -0.012 1.00 0.00 C ATOM 0 H MET A 56 2.877 8.788 -1.327 1.00 0.00 H new ATOM 0 HA MET A 56 5.512 9.185 -2.425 1.00 0.00 H new ATOM 0 HB2 MET A 56 3.106 7.451 -3.107 1.00 0.00 H new ATOM 0 HB3 MET A 56 4.487 7.525 -4.183 1.00 0.00 H new ATOM 0 HG2 MET A 56 5.587 5.996 -2.961 1.00 0.00 H new ATOM 0 HG3 MET A 56 5.461 6.990 -1.523 1.00 0.00 H new ATOM 0 HE1 MET A 56 2.326 5.954 0.220 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.985 5.610 0.765 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.618 7.145 -0.057 1.00 0.00 H new ATOM 921 N GLY A 57 2.927 10.637 -3.822 1.00 0.00 N ATOM 922 CA GLY A 57 2.451 11.506 -4.895 1.00 0.00 C ATOM 923 C GLY A 57 1.954 10.712 -6.094 1.00 0.00 C ATOM 924 O GLY A 57 2.072 11.167 -7.234 1.00 0.00 O ATOM 0 H GLY A 57 2.255 10.506 -3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.646 12.138 -4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.257 12.170 -5.209 1.00 0.00 H new ATOM 928 N VAL A 58 1.389 9.514 -5.818 1.00 0.00 N ATOM 929 CA VAL A 58 0.979 8.534 -6.850 1.00 0.00 C ATOM 930 C VAL A 58 -0.525 8.218 -6.725 1.00 0.00 C ATOM 931 O VAL A 58 -0.954 7.618 -5.734 1.00 0.00 O ATOM 932 CB VAL A 58 1.790 7.196 -6.694 1.00 0.00 C ATOM 933 CG1 VAL A 58 1.409 6.152 -7.773 1.00 0.00 C ATOM 934 CG2 VAL A 58 3.305 7.464 -6.672 1.00 0.00 C ATOM 0 H VAL A 58 1.204 9.198 -4.866 1.00 0.00 H new ATOM 0 HA VAL A 58 1.183 8.973 -7.827 1.00 0.00 H new ATOM 0 HB VAL A 58 1.516 6.764 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.995 5.245 -7.625 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.348 5.916 -7.692 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.616 6.560 -8.763 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.840 6.521 -6.563 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.603 7.945 -7.604 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.547 8.117 -5.833 1.00 0.00 H new ATOM 944 N SER A 59 -1.310 8.611 -7.736 1.00 0.00 N ATOM 945 CA SER A 59 -2.744 8.302 -7.800 1.00 0.00 C ATOM 946 C SER A 59 -2.923 6.963 -8.534 1.00 0.00 C ATOM 947 O SER A 59 -2.682 6.863 -9.744 1.00 0.00 O ATOM 948 CB SER A 59 -3.515 9.444 -8.502 1.00 0.00 C ATOM 949 OG SER A 59 -4.919 9.239 -8.441 1.00 0.00 O ATOM 0 H SER A 59 -0.970 9.151 -8.531 1.00 0.00 H new ATOM 0 HA SER A 59 -3.154 8.214 -6.794 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.265 10.395 -8.033 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.201 9.510 -9.544 1.00 0.00 H new ATOM 0 HG SER A 59 -5.377 9.979 -8.892 1.00 0.00 H new ATOM 955 N ILE A 60 -3.303 5.941 -7.770 1.00 0.00 N ATOM 956 CA ILE A 60 -3.426 4.560 -8.258 1.00 0.00 C ATOM 957 C ILE A 60 -4.769 4.381 -9.014 1.00 0.00 C ATOM 958 O ILE A 60 -5.827 4.570 -8.409 1.00 0.00 O ATOM 959 CB ILE A 60 -3.336 3.548 -7.047 1.00 0.00 C ATOM 960 CG1 ILE A 60 -2.001 3.758 -6.246 1.00 0.00 C ATOM 961 CG2 ILE A 60 -3.489 2.080 -7.524 1.00 0.00 C ATOM 962 CD1 ILE A 60 -1.843 2.872 -5.007 1.00 0.00 C ATOM 0 H ILE A 60 -3.538 6.045 -6.783 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.608 4.352 -8.947 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.167 3.754 -6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.161 3.574 -6.915 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.940 4.802 -5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.422 1.410 -6.667 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.457 1.954 -8.009 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.695 1.843 -8.232 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.891 3.090 -4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.658 3.070 -4.311 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.867 1.824 -5.304 1.00 0.00 H new ATOM 974 N PRO A 61 -4.754 4.029 -10.352 1.00 0.00 N ATOM 975 CA PRO A 61 -6.001 3.749 -11.113 1.00 0.00 C ATOM 976 C PRO A 61 -6.646 2.416 -10.652 1.00 0.00 C ATOM 977 O PRO A 61 -5.925 1.473 -10.315 1.00 0.00 O ATOM 978 CB PRO A 61 -5.503 3.678 -12.579 1.00 0.00 C ATOM 979 CG PRO A 61 -4.076 3.214 -12.472 1.00 0.00 C ATOM 980 CD PRO A 61 -3.541 3.869 -11.211 1.00 0.00 C ATOM 0 HA PRO A 61 -6.779 4.499 -10.970 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.102 2.984 -13.168 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.568 4.650 -13.068 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.019 2.127 -12.407 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.498 3.512 -13.347 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.787 3.249 -10.727 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.073 4.830 -11.426 1.00 0.00 H new ATOM 988 N SER A 62 -7.998 2.355 -10.679 1.00 0.00 N ATOM 989 CA SER A 62 -8.801 1.245 -10.101 1.00 0.00 C ATOM 990 C SER A 62 -8.485 -0.121 -10.739 1.00 0.00 C ATOM 991 O SER A 62 -8.565 -1.156 -10.064 1.00 0.00 O ATOM 992 CB SER A 62 -10.299 1.579 -10.225 1.00 0.00 C ATOM 993 OG SER A 62 -10.644 1.857 -11.561 1.00 0.00 O ATOM 0 H SER A 62 -8.571 3.082 -11.107 1.00 0.00 H new ATOM 0 HA SER A 62 -8.530 1.154 -9.049 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.894 0.742 -9.859 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.537 2.438 -9.598 1.00 0.00 H new ATOM 0 HG SER A 62 -11.600 2.065 -11.616 1.00 0.00 H new ATOM 999 N THR A 63 -8.098 -0.106 -12.028 1.00 0.00 N ATOM 1000 CA THR A 63 -7.689 -1.315 -12.756 1.00 0.00 C ATOM 1001 C THR A 63 -6.384 -1.916 -12.171 1.00 0.00 C ATOM 1002 O THR A 63 -6.186 -3.134 -12.212 1.00 0.00 O ATOM 1003 CB THR A 63 -7.520 -1.034 -14.291 1.00 0.00 C ATOM 1004 OG1 THR A 63 -7.187 -2.248 -14.984 1.00 0.00 O ATOM 1005 CG2 THR A 63 -6.453 0.039 -14.584 1.00 0.00 C ATOM 0 H THR A 63 -8.061 0.744 -12.590 1.00 0.00 H new ATOM 0 HA THR A 63 -8.487 -2.046 -12.631 1.00 0.00 H new ATOM 0 HB THR A 63 -8.476 -0.650 -14.649 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.085 -2.061 -15.941 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.378 0.193 -15.660 1.00 0.00 H new ATOM 0 HG22 THR A 63 -6.736 0.975 -14.102 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.489 -0.291 -14.197 1.00 0.00 H new ATOM 1013 N HIS A 64 -5.512 -1.056 -11.606 1.00 0.00 N ATOM 1014 CA HIS A 64 -4.219 -1.477 -11.018 1.00 0.00 C ATOM 1015 C HIS A 64 -4.395 -2.017 -9.586 1.00 0.00 C ATOM 1016 O HIS A 64 -3.431 -2.524 -8.999 1.00 0.00 O ATOM 1017 CB HIS A 64 -3.152 -0.323 -11.082 1.00 0.00 C ATOM 1018 CG HIS A 64 -2.112 -0.535 -12.161 1.00 0.00 C ATOM 1019 ND1 HIS A 64 -2.169 0.044 -13.409 1.00 0.00 N ATOM 1020 CD2 HIS A 64 -1.006 -1.318 -12.174 1.00 0.00 C ATOM 1021 CE1 HIS A 64 -1.151 -0.376 -14.136 1.00 0.00 C ATOM 1022 NE2 HIS A 64 -0.430 -1.202 -13.408 1.00 0.00 N ATOM 0 H HIS A 64 -5.682 -0.052 -11.543 1.00 0.00 H new ATOM 0 HA HIS A 64 -3.839 -2.299 -11.624 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.661 0.625 -11.257 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -2.654 -0.243 -10.116 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.645 -1.924 -11.357 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.944 -0.090 -15.157 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.419 -1.677 -13.714 1.00 0.00 H new ATOM 1031 N ILE A 65 -5.610 -1.885 -9.015 1.00 0.00 N ATOM 1032 CA ILE A 65 -5.973 -2.615 -7.792 1.00 0.00 C ATOM 1033 C ILE A 65 -6.396 -4.021 -8.211 1.00 0.00 C ATOM 1034 O ILE A 65 -7.332 -4.191 -9.005 1.00 0.00 O ATOM 1035 CB ILE A 65 -7.115 -1.962 -6.910 1.00 0.00 C ATOM 1036 CG1 ILE A 65 -6.731 -0.525 -6.417 1.00 0.00 C ATOM 1037 CG2 ILE A 65 -7.436 -2.877 -5.685 1.00 0.00 C ATOM 1038 CD1 ILE A 65 -6.690 0.534 -7.463 1.00 0.00 C ATOM 0 H ILE A 65 -6.348 -1.284 -9.381 1.00 0.00 H new ATOM 0 HA ILE A 65 -5.093 -2.601 -7.148 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.999 -1.868 -7.540 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.444 -0.223 -5.650 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.752 -0.575 -5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.222 -2.419 -5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.770 -3.853 -6.037 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.540 -2.998 -5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.414 1.485 -7.007 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.954 0.268 -8.222 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.672 0.626 -7.927 1.00 0.00 H new ATOM 1050 N THR A 66 -5.648 -4.998 -7.717 1.00 0.00 N ATOM 1051 CA THR A 66 -5.904 -6.415 -7.940 1.00 0.00 C ATOM 1052 C THR A 66 -5.242 -7.218 -6.809 1.00 0.00 C ATOM 1053 O THR A 66 -4.363 -6.700 -6.095 1.00 0.00 O ATOM 1054 CB THR A 66 -5.392 -6.876 -9.358 1.00 0.00 C ATOM 1055 OG1 THR A 66 -5.570 -8.292 -9.533 1.00 0.00 O ATOM 1056 CG2 THR A 66 -3.918 -6.503 -9.599 1.00 0.00 C ATOM 0 H THR A 66 -4.827 -4.824 -7.137 1.00 0.00 H new ATOM 0 HA THR A 66 -6.979 -6.597 -7.928 1.00 0.00 H new ATOM 0 HB THR A 66 -5.995 -6.343 -10.094 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.247 -8.555 -10.420 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.614 -6.842 -10.589 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.801 -5.421 -9.534 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.294 -6.981 -8.844 1.00 0.00 H new ATOM 1064 N GLY A 67 -5.638 -8.497 -6.689 1.00 0.00 N ATOM 1065 CA GLY A 67 -5.125 -9.389 -5.645 1.00 0.00 C ATOM 1066 C GLY A 67 -3.708 -9.890 -5.891 1.00 0.00 C ATOM 1067 O GLY A 67 -3.176 -10.664 -5.098 1.00 0.00 O ATOM 0 H GLY A 67 -6.318 -8.935 -7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.152 -8.865 -4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.791 -10.247 -5.557 1.00 0.00 H new ATOM 1071 N LYS A 68 -3.126 -9.458 -7.008 1.00 0.00 N ATOM 1072 CA LYS A 68 -1.731 -9.703 -7.378 1.00 0.00 C ATOM 1073 C LYS A 68 -0.789 -8.659 -6.730 1.00 0.00 C ATOM 1074 O LYS A 68 0.252 -9.017 -6.161 1.00 0.00 O ATOM 1075 CB LYS A 68 -1.667 -9.662 -8.920 1.00 0.00 C ATOM 1076 CG LYS A 68 -0.271 -9.804 -9.565 1.00 0.00 C ATOM 1077 CD LYS A 68 -0.377 -9.995 -11.097 1.00 0.00 C ATOM 1078 CE LYS A 68 -1.153 -8.861 -11.802 1.00 0.00 C ATOM 1079 NZ LYS A 68 -1.579 -9.246 -13.164 1.00 0.00 N ATOM 0 H LYS A 68 -3.629 -8.909 -7.705 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.393 -10.672 -7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.302 -10.459 -9.307 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.100 -8.719 -9.253 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.325 -8.918 -9.347 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.250 -10.654 -9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.626 -10.056 -11.519 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.868 -10.946 -11.304 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.029 -8.598 -11.209 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.526 -7.971 -11.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.096 -8.457 -13.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.742 -9.473 -13.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.199 -10.079 -13.111 1.00 0.00 H new ATOM 1093 N TYR A 69 -1.177 -7.369 -6.823 1.00 0.00 N ATOM 1094 CA TYR A 69 -0.373 -6.243 -6.296 1.00 0.00 C ATOM 1095 C TYR A 69 -0.577 -6.063 -4.786 1.00 0.00 C ATOM 1096 O TYR A 69 0.390 -5.997 -4.032 1.00 0.00 O ATOM 1097 CB TYR A 69 -0.714 -4.923 -7.039 1.00 0.00 C ATOM 1098 CG TYR A 69 -0.139 -4.835 -8.462 1.00 0.00 C ATOM 1099 CD1 TYR A 69 1.228 -5.013 -8.688 1.00 0.00 C ATOM 1100 CD2 TYR A 69 -0.948 -4.549 -9.561 1.00 0.00 C ATOM 1101 CE1 TYR A 69 1.764 -4.898 -9.953 1.00 0.00 C ATOM 1102 CE2 TYR A 69 -0.418 -4.445 -10.828 1.00 0.00 C ATOM 1103 CZ TYR A 69 0.936 -4.618 -11.018 1.00 0.00 C ATOM 1104 OH TYR A 69 1.469 -4.477 -12.278 1.00 0.00 O ATOM 0 H TYR A 69 -2.051 -7.079 -7.262 1.00 0.00 H new ATOM 0 HA TYR A 69 0.675 -6.485 -6.471 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.798 -4.817 -7.090 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -0.339 -4.083 -6.455 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.877 -5.245 -7.856 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.009 -4.407 -9.416 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.825 -5.026 -10.108 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.061 -4.229 -11.669 1.00 0.00 H new ATOM 0 HH TYR A 69 0.752 -4.282 -12.917 1.00 0.00 H new ATOM 1114 N PHE A 70 -1.844 -6.021 -4.339 1.00 0.00 N ATOM 1115 CA PHE A 70 -2.183 -5.756 -2.918 1.00 0.00 C ATOM 1116 C PHE A 70 -2.102 -7.028 -2.045 1.00 0.00 C ATOM 1117 O PHE A 70 -2.506 -7.021 -0.878 1.00 0.00 O ATOM 1118 CB PHE A 70 -3.559 -5.044 -2.836 1.00 0.00 C ATOM 1119 CG PHE A 70 -3.481 -3.600 -3.354 1.00 0.00 C ATOM 1120 CD1 PHE A 70 -3.609 -3.308 -4.713 1.00 0.00 C ATOM 1121 CD2 PHE A 70 -3.239 -2.543 -2.473 1.00 0.00 C ATOM 1122 CE1 PHE A 70 -3.483 -2.006 -5.172 1.00 0.00 C ATOM 1123 CE2 PHE A 70 -3.122 -1.243 -2.936 1.00 0.00 C ATOM 1124 CZ PHE A 70 -3.248 -0.976 -4.283 1.00 0.00 C ATOM 0 H PHE A 70 -2.657 -6.167 -4.938 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.434 -5.085 -2.499 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.293 -5.601 -3.419 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.907 -5.042 -1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.808 -4.105 -5.414 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.142 -2.742 -1.416 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.569 -1.797 -6.228 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.932 -0.438 -2.242 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.163 0.039 -4.643 1.00 0.00 H new ATOM 1134 N LYS A 71 -1.497 -8.077 -2.621 1.00 0.00 N ATOM 1135 CA LYS A 71 -1.212 -9.354 -1.965 1.00 0.00 C ATOM 1136 C LYS A 71 -0.114 -9.168 -0.898 1.00 0.00 C ATOM 1137 O LYS A 71 -0.273 -9.588 0.252 1.00 0.00 O ATOM 1138 CB LYS A 71 -0.745 -10.345 -3.055 1.00 0.00 C ATOM 1139 CG LYS A 71 -0.447 -11.771 -2.563 1.00 0.00 C ATOM 1140 CD LYS A 71 0.028 -12.708 -3.699 1.00 0.00 C ATOM 1141 CE LYS A 71 1.316 -12.207 -4.378 1.00 0.00 C ATOM 1142 NZ LYS A 71 1.830 -13.161 -5.381 1.00 0.00 N ATOM 0 H LYS A 71 -1.183 -8.055 -3.591 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.101 -9.736 -1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.512 -10.398 -3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.154 -9.945 -3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.318 -11.731 -1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.344 -12.188 -2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.199 -13.706 -3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.761 -12.797 -4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.121 -11.248 -4.859 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.080 -12.034 -3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.697 -12.780 -5.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.042 -14.069 -4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.113 -13.307 -6.120 1.00 0.00 H new ATOM 1156 N ASP A 72 0.996 -8.518 -1.314 1.00 0.00 N ATOM 1157 CA ASP A 72 2.138 -8.160 -0.444 1.00 0.00 C ATOM 1158 C ASP A 72 2.502 -6.711 -0.735 1.00 0.00 C ATOM 1159 O ASP A 72 2.251 -6.203 -1.830 1.00 0.00 O ATOM 1160 CB ASP A 72 3.409 -9.047 -0.666 1.00 0.00 C ATOM 1161 CG ASP A 72 3.171 -10.543 -0.420 1.00 0.00 C ATOM 1162 OD1 ASP A 72 3.200 -10.983 0.753 1.00 0.00 O ATOM 1163 OD2 ASP A 72 2.954 -11.288 -1.398 1.00 0.00 O ATOM 0 H ASP A 72 1.125 -8.222 -2.282 1.00 0.00 H new ATOM 0 HA ASP A 72 1.825 -8.321 0.588 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.764 -8.908 -1.687 1.00 0.00 H new ATOM 0 HB3 ASP A 72 4.202 -8.701 -0.003 1.00 0.00 H new ATOM 1168 N LEU A 73 3.145 -6.070 0.232 1.00 0.00 N ATOM 1169 CA LEU A 73 3.479 -4.645 0.172 1.00 0.00 C ATOM 1170 C LEU A 73 4.677 -4.365 -0.767 1.00 0.00 C ATOM 1171 O LEU A 73 4.843 -3.242 -1.244 1.00 0.00 O ATOM 1172 CB LEU A 73 3.742 -4.165 1.601 1.00 0.00 C ATOM 1173 CG LEU A 73 3.969 -2.651 1.791 1.00 0.00 C ATOM 1174 CD1 LEU A 73 2.777 -1.817 1.293 1.00 0.00 C ATOM 1175 CD2 LEU A 73 4.284 -2.358 3.250 1.00 0.00 C ATOM 0 H LEU A 73 3.454 -6.525 1.091 1.00 0.00 H new ATOM 0 HA LEU A 73 2.645 -4.089 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.897 -4.463 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.618 -4.691 1.981 1.00 0.00 H new ATOM 0 HG LEU A 73 4.822 -2.357 1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.984 -0.758 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.620 -2.005 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.881 -2.096 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.444 -1.288 3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.450 -2.679 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.185 -2.897 3.543 1.00 0.00 H new ATOM 1187 N ASN A 74 5.506 -5.392 -1.031 1.00 0.00 N ATOM 1188 CA ASN A 74 6.554 -5.324 -2.077 1.00 0.00 C ATOM 1189 C ASN A 74 5.913 -5.248 -3.478 1.00 0.00 C ATOM 1190 O ASN A 74 6.411 -4.548 -4.365 1.00 0.00 O ATOM 1191 CB ASN A 74 7.524 -6.537 -1.981 1.00 0.00 C ATOM 1192 CG ASN A 74 8.548 -6.399 -0.852 1.00 0.00 C ATOM 1193 OD1 ASN A 74 9.630 -5.845 -1.042 1.00 0.00 O ATOM 1194 ND2 ASN A 74 8.223 -6.899 0.316 1.00 0.00 N ATOM 0 H ASN A 74 5.473 -6.283 -0.535 1.00 0.00 H new ATOM 0 HA ASN A 74 7.137 -4.418 -1.913 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.944 -7.447 -1.828 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.050 -6.650 -2.929 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.875 -6.834 1.098 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.318 -7.353 0.443 1.00 0.00 H new ATOM 1201 N ALA A 75 4.788 -5.959 -3.650 1.00 0.00 N ATOM 1202 CA ALA A 75 4.021 -5.950 -4.903 1.00 0.00 C ATOM 1203 C ALA A 75 3.216 -4.635 -5.034 1.00 0.00 C ATOM 1204 O ALA A 75 2.973 -4.155 -6.147 1.00 0.00 O ATOM 1205 CB ALA A 75 3.127 -7.196 -4.983 1.00 0.00 C ATOM 0 H ALA A 75 4.386 -6.554 -2.926 1.00 0.00 H new ATOM 0 HA ALA A 75 4.707 -5.988 -5.749 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.563 -7.180 -5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.747 -8.092 -4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.435 -7.202 -4.140 1.00 0.00 H new ATOM 1211 N ILE A 76 2.827 -4.047 -3.883 1.00 0.00 N ATOM 1212 CA ILE A 76 2.229 -2.693 -3.837 1.00 0.00 C ATOM 1213 C ILE A 76 3.292 -1.634 -4.187 1.00 0.00 C ATOM 1214 O ILE A 76 3.005 -0.673 -4.892 1.00 0.00 O ATOM 1215 CB ILE A 76 1.605 -2.370 -2.424 1.00 0.00 C ATOM 1216 CG1 ILE A 76 0.490 -3.396 -2.073 1.00 0.00 C ATOM 1217 CG2 ILE A 76 1.063 -0.913 -2.334 1.00 0.00 C ATOM 1218 CD1 ILE A 76 -0.167 -3.202 -0.720 1.00 0.00 C ATOM 0 H ILE A 76 2.916 -4.490 -2.969 1.00 0.00 H new ATOM 0 HA ILE A 76 1.424 -2.667 -4.571 1.00 0.00 H new ATOM 0 HB ILE A 76 2.407 -2.455 -1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.280 -3.348 -2.843 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.917 -4.398 -2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.644 -0.741 -1.342 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.877 -0.210 -2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.287 -0.766 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.929 -3.967 -0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.585 -3.283 0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.630 -2.216 -0.678 1.00 0.00 H new ATOM 1230 N SER A 77 4.530 -1.844 -3.715 1.00 0.00 N ATOM 1231 CA SER A 77 5.619 -0.876 -3.891 1.00 0.00 C ATOM 1232 C SER A 77 6.009 -0.776 -5.362 1.00 0.00 C ATOM 1233 O SER A 77 6.219 0.325 -5.861 1.00 0.00 O ATOM 1234 CB SER A 77 6.851 -1.276 -3.062 1.00 0.00 C ATOM 1235 OG SER A 77 7.889 -0.307 -3.143 1.00 0.00 O ATOM 0 H SER A 77 4.802 -2.684 -3.204 1.00 0.00 H new ATOM 0 HA SER A 77 5.262 0.094 -3.544 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.559 -1.407 -2.020 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.226 -2.238 -3.412 1.00 0.00 H new ATOM 0 HG SER A 77 8.347 -0.390 -4.005 1.00 0.00 H new ATOM 1241 N ARG A 78 6.084 -1.940 -6.046 1.00 0.00 N ATOM 1242 CA ARG A 78 6.560 -2.014 -7.434 1.00 0.00 C ATOM 1243 C ARG A 78 5.559 -1.380 -8.410 1.00 0.00 C ATOM 1244 O ARG A 78 5.970 -0.808 -9.437 1.00 0.00 O ATOM 1245 CB ARG A 78 6.890 -3.470 -7.828 1.00 0.00 C ATOM 1246 CG ARG A 78 5.701 -4.437 -7.872 1.00 0.00 C ATOM 1247 CD ARG A 78 6.156 -5.892 -8.087 1.00 0.00 C ATOM 1248 NE ARG A 78 7.187 -6.285 -7.092 1.00 0.00 N ATOM 1249 CZ ARG A 78 7.923 -7.409 -7.132 1.00 0.00 C ATOM 1250 NH1 ARG A 78 7.767 -8.300 -8.111 1.00 0.00 N ATOM 1251 NH2 ARG A 78 8.852 -7.613 -6.208 1.00 0.00 N ATOM 0 H ARG A 78 5.818 -2.842 -5.651 1.00 0.00 H new ATOM 0 HA ARG A 78 7.481 -1.435 -7.499 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.364 -3.462 -8.810 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.624 -3.859 -7.123 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.140 -4.365 -6.940 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.024 -4.145 -8.675 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.298 -6.560 -8.008 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.557 -6.005 -9.094 1.00 0.00 H new ATOM 0 HE ARG A 78 7.350 -5.648 -6.312 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.080 -8.134 -8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.335 -9.147 -8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.003 -6.920 -5.475 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.415 -8.463 -6.230 1.00 0.00 H new ATOM 1265 N THR A 79 4.242 -1.467 -8.085 1.00 0.00 N ATOM 1266 CA THR A 79 3.216 -0.786 -8.876 1.00 0.00 C ATOM 1267 C THR A 79 3.253 0.721 -8.564 1.00 0.00 C ATOM 1268 O THR A 79 3.014 1.512 -9.440 1.00 0.00 O ATOM 1269 CB THR A 79 1.768 -1.372 -8.680 1.00 0.00 C ATOM 1270 OG1 THR A 79 0.894 -0.876 -9.705 1.00 0.00 O ATOM 1271 CG2 THR A 79 1.151 -1.024 -7.319 1.00 0.00 C ATOM 0 H THR A 79 3.883 -1.997 -7.291 1.00 0.00 H new ATOM 0 HA THR A 79 3.452 -0.957 -9.926 1.00 0.00 H new ATOM 0 HB THR A 79 1.873 -2.456 -8.736 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.004 -1.247 -9.577 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.154 -1.458 -7.250 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.777 -1.425 -6.522 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.083 0.059 -7.217 1.00 0.00 H new ATOM 1279 N VAL A 80 3.579 1.108 -7.307 1.00 0.00 N ATOM 1280 CA VAL A 80 3.736 2.535 -6.925 1.00 0.00 C ATOM 1281 C VAL A 80 4.954 3.155 -7.638 1.00 0.00 C ATOM 1282 O VAL A 80 4.916 4.316 -8.042 1.00 0.00 O ATOM 1283 CB VAL A 80 3.854 2.708 -5.356 1.00 0.00 C ATOM 1284 CG1 VAL A 80 4.361 4.122 -4.952 1.00 0.00 C ATOM 1285 CG2 VAL A 80 2.496 2.387 -4.677 1.00 0.00 C ATOM 0 H VAL A 80 3.738 0.454 -6.541 1.00 0.00 H new ATOM 0 HA VAL A 80 2.839 3.065 -7.246 1.00 0.00 H new ATOM 0 HB VAL A 80 4.602 1.997 -5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.424 4.189 -3.866 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.347 4.292 -5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.667 4.877 -5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 80 2.591 2.510 -3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.731 3.066 -5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.211 1.359 -4.902 1.00 0.00 H new ATOM 1295 N GLU A 81 6.019 2.351 -7.801 1.00 0.00 N ATOM 1296 CA GLU A 81 7.257 2.766 -8.482 1.00 0.00 C ATOM 1297 C GLU A 81 6.984 3.095 -9.954 1.00 0.00 C ATOM 1298 O GLU A 81 7.412 4.143 -10.466 1.00 0.00 O ATOM 1299 CB GLU A 81 8.325 1.647 -8.344 1.00 0.00 C ATOM 1300 CG GLU A 81 8.923 1.535 -6.925 1.00 0.00 C ATOM 1301 CD GLU A 81 9.822 0.305 -6.726 1.00 0.00 C ATOM 1302 OE1 GLU A 81 10.920 0.260 -7.320 1.00 0.00 O ATOM 1303 OE2 GLU A 81 9.427 -0.634 -5.991 1.00 0.00 O ATOM 0 H GLU A 81 6.045 1.389 -7.462 1.00 0.00 H new ATOM 0 HA GLU A 81 7.638 3.672 -8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.876 0.692 -8.616 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.130 1.835 -9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.501 2.434 -6.713 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.110 1.500 -6.200 1.00 0.00 H new ATOM 1310 N GLN A 82 6.235 2.203 -10.603 1.00 0.00 N ATOM 1311 CA GLN A 82 5.887 2.337 -12.025 1.00 0.00 C ATOM 1312 C GLN A 82 4.824 3.434 -12.239 1.00 0.00 C ATOM 1313 O GLN A 82 4.986 4.292 -13.109 1.00 0.00 O ATOM 1314 CB GLN A 82 5.417 0.982 -12.604 1.00 0.00 C ATOM 1315 CG GLN A 82 5.118 1.009 -14.122 1.00 0.00 C ATOM 1316 CD GLN A 82 6.303 1.486 -14.979 1.00 0.00 C ATOM 1317 OE1 GLN A 82 6.370 2.786 -15.260 1.00 0.00 O flip ATOM 1318 NE2 GLN A 82 7.145 0.687 -15.393 1.00 0.00 N flip ATOM 0 H GLN A 82 5.851 1.367 -10.162 1.00 0.00 H new ATOM 0 HA GLN A 82 6.784 2.641 -12.564 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.183 0.231 -12.410 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.519 0.665 -12.074 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.828 0.009 -14.444 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.264 1.662 -14.303 1.00 0.00 H new ATOM 0 HE21 GLN A 82 7.066 -0.303 -15.161 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.921 1.016 -15.968 1.00 0.00 H new ATOM 1327 N LEU A 83 3.771 3.421 -11.406 1.00 0.00 N ATOM 1328 CA LEU A 83 2.652 4.396 -11.469 1.00 0.00 C ATOM 1329 C LEU A 83 3.148 5.827 -11.163 1.00 0.00 C ATOM 1330 O LEU A 83 2.558 6.796 -11.637 1.00 0.00 O ATOM 1331 CB LEU A 83 1.504 3.980 -10.488 1.00 0.00 C ATOM 1332 CG LEU A 83 0.420 2.967 -11.008 1.00 0.00 C ATOM 1333 CD1 LEU A 83 1.020 1.779 -11.782 1.00 0.00 C ATOM 1334 CD2 LEU A 83 -0.460 2.463 -9.837 1.00 0.00 C ATOM 0 H LEU A 83 3.664 2.732 -10.662 1.00 0.00 H new ATOM 0 HA LEU A 83 2.253 4.391 -12.483 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.964 3.549 -9.599 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.989 4.887 -10.173 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.200 3.516 -11.716 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.219 1.118 -12.113 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.567 2.149 -12.649 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.700 1.228 -11.132 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.204 1.763 -10.216 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.167 1.962 -9.100 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.963 3.309 -9.369 1.00 0.00 H new ATOM 1346 N LYS A 84 4.238 5.937 -10.372 1.00 0.00 N ATOM 1347 CA LYS A 84 4.883 7.220 -10.066 1.00 0.00 C ATOM 1348 C LYS A 84 5.558 7.775 -11.318 1.00 0.00 C ATOM 1349 O LYS A 84 5.481 8.973 -11.591 1.00 0.00 O ATOM 1350 CB LYS A 84 5.922 7.030 -8.936 1.00 0.00 C ATOM 1351 CG LYS A 84 6.561 8.327 -8.394 1.00 0.00 C ATOM 1352 CD LYS A 84 7.355 8.121 -7.072 1.00 0.00 C ATOM 1353 CE LYS A 84 8.471 7.048 -7.159 1.00 0.00 C ATOM 1354 NZ LYS A 84 7.974 5.649 -7.012 1.00 0.00 N ATOM 0 H LYS A 84 4.690 5.136 -9.931 1.00 0.00 H new ATOM 0 HA LYS A 84 4.127 7.930 -9.732 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.441 6.509 -8.108 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.717 6.380 -9.303 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.230 8.737 -9.151 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.778 9.066 -8.227 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.802 9.071 -6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.658 7.840 -6.283 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.980 7.144 -8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.212 7.244 -6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.763 5.027 -6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 7.240 5.617 -6.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.572 5.327 -7.915 1.00 0.00 H new ATOM 1368 N ALA A 85 6.202 6.869 -12.077 1.00 0.00 N ATOM 1369 CA ALA A 85 6.900 7.209 -13.323 1.00 0.00 C ATOM 1370 C ALA A 85 5.888 7.599 -14.415 1.00 0.00 C ATOM 1371 O ALA A 85 6.094 8.567 -15.146 1.00 0.00 O ATOM 1372 CB ALA A 85 7.792 6.033 -13.770 1.00 0.00 C ATOM 0 H ALA A 85 6.251 5.878 -11.839 1.00 0.00 H new ATOM 0 HA ALA A 85 7.545 8.070 -13.148 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.305 6.296 -14.695 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.528 5.820 -12.995 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.174 5.150 -13.936 1.00 0.00 H new ATOM 1378 N GLU A 86 4.771 6.862 -14.474 1.00 0.00 N ATOM 1379 CA GLU A 86 3.696 7.101 -15.451 1.00 0.00 C ATOM 1380 C GLU A 86 2.995 8.443 -15.175 1.00 0.00 C ATOM 1381 O GLU A 86 2.694 9.195 -16.107 1.00 0.00 O ATOM 1382 CB GLU A 86 2.683 5.934 -15.407 1.00 0.00 C ATOM 1383 CG GLU A 86 3.280 4.574 -15.822 1.00 0.00 C ATOM 1384 CD GLU A 86 2.275 3.423 -15.735 1.00 0.00 C ATOM 1385 OE1 GLU A 86 2.120 2.839 -14.654 1.00 0.00 O ATOM 1386 OE2 GLU A 86 1.618 3.113 -16.747 1.00 0.00 O ATOM 0 H GLU A 86 4.585 6.081 -13.845 1.00 0.00 H new ATOM 0 HA GLU A 86 4.132 7.153 -16.449 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.283 5.851 -14.397 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.845 6.168 -16.064 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.654 4.645 -16.843 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.135 4.350 -15.184 1.00 0.00 H new ATOM 1393 N SER A 87 2.769 8.734 -13.880 1.00 0.00 N ATOM 1394 CA SER A 87 2.131 9.986 -13.438 1.00 0.00 C ATOM 1395 C SER A 87 3.121 11.172 -13.415 1.00 0.00 C ATOM 1396 O SER A 87 2.698 12.337 -13.347 1.00 0.00 O ATOM 1397 CB SER A 87 1.441 9.787 -12.078 1.00 0.00 C ATOM 1398 OG SER A 87 0.414 8.809 -12.180 1.00 0.00 O ATOM 0 H SER A 87 3.023 8.110 -13.114 1.00 0.00 H new ATOM 0 HA SER A 87 1.367 10.245 -14.171 1.00 0.00 H new ATOM 0 HB2 SER A 87 2.174 9.477 -11.333 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.019 10.732 -11.736 1.00 0.00 H new ATOM 0 HG SER A 87 0.790 7.920 -12.010 1.00 0.00 H new ATOM 1404 N ALA A 88 4.426 10.870 -13.483 1.00 0.00 N ATOM 1405 CA ALA A 88 5.477 11.888 -13.630 1.00 0.00 C ATOM 1406 C ALA A 88 5.566 12.358 -15.093 1.00 0.00 C ATOM 1407 O ALA A 88 5.792 13.541 -15.357 1.00 0.00 O ATOM 1408 CB ALA A 88 6.832 11.335 -13.153 1.00 0.00 C ATOM 0 H ALA A 88 4.782 9.915 -13.438 1.00 0.00 H new ATOM 0 HA ALA A 88 5.220 12.746 -13.008 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.599 12.101 -13.269 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.759 11.050 -12.103 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.099 10.462 -13.749 1.00 0.00 H new ATOM 1414 N LEU A 89 5.395 11.403 -16.031 1.00 0.00 N ATOM 1415 CA LEU A 89 5.509 11.644 -17.481 1.00 0.00 C ATOM 1416 C LEU A 89 4.152 12.000 -18.147 1.00 0.00 C ATOM 1417 O LEU A 89 4.157 12.501 -19.277 1.00 0.00 O ATOM 1418 CB LEU A 89 6.170 10.400 -18.170 1.00 0.00 C ATOM 1419 CG LEU A 89 7.733 10.313 -18.099 1.00 0.00 C ATOM 1420 CD1 LEU A 89 8.383 11.536 -18.763 1.00 0.00 C ATOM 1421 CD2 LEU A 89 8.256 10.129 -16.658 1.00 0.00 C ATOM 0 H LEU A 89 5.172 10.435 -15.799 1.00 0.00 H new ATOM 0 HA LEU A 89 6.145 12.518 -17.620 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.757 9.499 -17.717 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.875 10.394 -19.219 1.00 0.00 H new ATOM 0 HG LEU A 89 8.020 9.420 -18.654 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.468 11.451 -18.700 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.083 11.584 -19.810 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.060 12.443 -18.251 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.345 10.075 -16.670 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.941 10.974 -16.046 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.852 9.207 -16.239 1.00 0.00 H new ATOM 1433 N GLU A 90 2.998 11.739 -17.471 1.00 0.00 N ATOM 1434 CA GLU A 90 1.662 12.060 -18.048 1.00 0.00 C ATOM 1435 C GLU A 90 1.439 13.598 -18.114 1.00 0.00 C ATOM 1436 CB GLU A 90 0.493 11.367 -17.280 1.00 0.00 C ATOM 1437 CG GLU A 90 0.261 11.862 -15.844 1.00 0.00 C ATOM 1438 CD GLU A 90 -1.054 11.356 -15.238 1.00 0.00 C ATOM 1439 OE1 GLU A 90 -1.076 10.255 -14.645 1.00 0.00 O ATOM 1440 OE2 GLU A 90 -2.074 12.067 -15.366 1.00 0.00 O ATOM 0 H GLU A 90 2.965 11.315 -16.544 1.00 0.00 H new ATOM 0 HA GLU A 90 1.657 11.661 -19.062 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.426 11.509 -17.848 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.686 10.295 -17.250 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.091 11.539 -15.216 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.261 12.952 -15.837 1.00 0.00 H new