USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= -1.24! X(o=-1.2!,f=-1.1) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 174:sc= 1.2 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 140:sc= 1.08 USER MOD Single : A 1 MET CE :methyl -141:sc= -0.0369 (180deg=-0.119) USER MOD Single : A 1 MET N :NH3+ 178:sc= 1.07 (180deg=1.07) USER MOD Single : A 2 GLN : amide:sc=-0.00459 X(o=-0.0046,f=-0.0046) USER MOD Single : A 7 THR OG1 : rot -170:sc= -0.667 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.03) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 1.55 (180deg=0.831) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0389) USER MOD Single : A 31 GLN : amide:sc= -0.906 K(o=-0.91,f=-2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 41 GLN : amide:sc= 0.442 K(o=0.44,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.832 K(o=-0.83,f=-1.7) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.111 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 91:sc= 0.981 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00621 X(o=-0.0062,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.336 -4.086 -3.996 1.00 0.78 N ATOM 2 CA MET A 1 12.913 -4.360 -2.605 1.00 0.70 C ATOM 3 C MET A 1 11.516 -4.863 -2.474 1.00 0.62 C ATOM 4 O MET A 1 10.580 -4.496 -3.183 1.00 0.68 O ATOM 5 CB MET A 1 12.990 -2.988 -1.914 1.00 0.75 C ATOM 6 CG MET A 1 12.649 -3.002 -0.423 1.00 0.79 C ATOM 7 SD MET A 1 12.774 -1.401 0.428 1.00 1.10 S ATOM 8 CE MET A 1 11.100 -0.864 -0.028 1.00 0.84 C ATOM 0 H1 MET A 1 14.305 -3.709 -3.996 1.00 0.78 H new ATOM 0 H2 MET A 1 13.307 -4.967 -4.548 1.00 0.78 H new ATOM 0 H3 MET A 1 12.693 -3.389 -4.423 1.00 0.78 H new ATOM 0 HA MET A 1 13.546 -5.139 -2.181 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.997 -2.590 -2.039 1.00 0.75 H new ATOM 0 HB3 MET A 1 12.311 -2.302 -2.421 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.632 -3.377 -0.305 1.00 0.79 H new ATOM 0 HG3 MET A 1 13.310 -3.711 0.076 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.112 0.199 -0.268 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.761 -1.429 -0.896 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.421 -1.040 0.807 1.00 0.84 H new ATOM 20 N GLN A 2 11.273 -5.818 -1.559 1.00 0.59 N ATOM 21 CA GLN A 2 9.989 -6.429 -1.407 1.00 0.56 C ATOM 22 C GLN A 2 9.294 -5.952 -0.178 1.00 0.50 C ATOM 23 O GLN A 2 9.881 -5.538 0.820 1.00 0.60 O ATOM 24 CB GLN A 2 10.219 -7.945 -1.299 1.00 0.71 C ATOM 25 CG GLN A 2 9.007 -8.754 -1.765 1.00 1.15 C ATOM 26 CD GLN A 2 9.144 -10.266 -1.886 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.393 -10.827 -2.952 1.00 1.87 O ATOM 28 NE2 GLN A 2 8.965 -10.971 -0.736 1.00 1.72 N ATOM 0 H GLN A 2 11.979 -6.172 -0.914 1.00 0.59 H new ATOM 0 HA GLN A 2 9.361 -6.171 -2.260 1.00 0.56 H new ATOM 0 HB2 GLN A 2 11.088 -8.221 -1.896 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.448 -8.202 -0.265 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.188 -8.550 -1.076 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.707 -8.370 -2.740 1.00 1.15 H new ATOM 0 HE21 GLN A 2 8.759 -10.482 0.135 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.036 -11.988 -0.745 1.00 1.72 H new ATOM 37 N ILE A 3 7.967 -5.756 -0.284 1.00 0.44 N ATOM 38 CA ILE A 3 6.982 -5.390 0.685 1.00 0.42 C ATOM 39 C ILE A 3 5.815 -6.317 0.720 1.00 0.40 C ATOM 40 O ILE A 3 5.711 -7.287 -0.027 1.00 0.50 O ATOM 41 CB ILE A 3 6.565 -3.955 0.554 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.043 -3.714 -0.872 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.703 -2.935 0.720 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.108 -2.508 -0.955 1.00 0.72 C ATOM 0 H ILE A 3 7.524 -5.875 -1.195 1.00 0.44 H new ATOM 0 HA ILE A 3 7.468 -5.493 1.655 1.00 0.42 H new ATOM 0 HB ILE A 3 5.831 -3.808 1.346 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.888 -3.562 -1.544 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.516 -4.603 -1.218 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.306 -1.926 0.609 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.147 -3.044 1.709 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.464 -3.111 -0.041 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.768 -2.382 -1.983 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.248 -2.669 -0.305 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.641 -1.612 -0.636 1.00 0.72 H new ATOM 56 N PHE A 4 4.896 -6.149 1.688 1.00 0.37 N ATOM 57 CA PHE A 4 3.735 -6.959 1.890 1.00 0.38 C ATOM 58 C PHE A 4 2.614 -6.012 2.141 1.00 0.39 C ATOM 59 O PHE A 4 2.827 -5.138 2.980 1.00 0.60 O ATOM 60 CB PHE A 4 3.920 -7.887 3.103 1.00 0.45 C ATOM 61 CG PHE A 4 5.031 -8.821 2.763 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.843 -9.909 1.944 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.212 -8.621 3.438 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.873 -10.807 1.785 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.209 -9.565 3.378 1.00 1.40 C ATOM 66 CZ PHE A 4 6.999 -10.649 2.558 1.00 0.85 C ATOM 0 H PHE A 4 4.970 -5.398 2.374 1.00 0.37 H new ATOM 0 HA PHE A 4 3.545 -7.594 1.025 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.158 -7.312 3.998 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.003 -8.437 3.313 1.00 0.45 H new ATOM 0 HD1 PHE A 4 3.902 -10.056 1.434 1.00 1.16 H new ATOM 0 HD2 PHE A 4 6.356 -7.720 4.016 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.799 -11.615 1.072 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.119 -9.460 3.950 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.758 -11.416 2.519 1.00 0.85 H new ATOM 76 N VAL A 5 1.505 -6.101 1.386 1.00 0.35 N ATOM 77 CA VAL A 5 0.388 -5.279 1.737 1.00 0.35 C ATOM 78 C VAL A 5 -0.703 -6.209 2.142 1.00 0.35 C ATOM 79 O VAL A 5 -1.122 -7.077 1.378 1.00 0.46 O ATOM 80 CB VAL A 5 -0.014 -4.452 0.553 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.207 -3.577 0.973 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.113 -3.486 0.153 1.00 0.56 C ATOM 0 H VAL A 5 1.381 -6.707 0.575 1.00 0.35 H new ATOM 0 HA VAL A 5 0.622 -4.590 2.549 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.247 -5.119 -0.277 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.522 -2.963 0.130 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.034 -4.215 1.286 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.912 -2.933 1.801 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.798 -2.897 -0.708 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.335 -2.820 0.987 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.006 -4.055 -0.104 1.00 0.56 H new ATOM 92 N LYS A 6 -1.160 -6.108 3.403 1.00 0.36 N ATOM 93 CA LYS A 6 -2.273 -6.919 3.785 1.00 0.39 C ATOM 94 C LYS A 6 -3.546 -6.143 3.770 1.00 0.46 C ATOM 95 O LYS A 6 -3.599 -5.024 4.277 1.00 0.53 O ATOM 96 CB LYS A 6 -1.938 -7.488 5.174 1.00 0.54 C ATOM 97 CG LYS A 6 -0.845 -8.557 5.149 1.00 1.22 C ATOM 98 CD LYS A 6 -0.618 -9.162 6.534 1.00 1.37 C ATOM 99 CE LYS A 6 0.435 -10.272 6.546 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.042 -11.540 5.950 1.00 2.09 N ATOM 0 H LYS A 6 -0.782 -5.497 4.127 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.435 -7.732 3.077 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.623 -6.673 5.825 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.841 -7.914 5.611 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.122 -9.345 4.448 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.085 -8.119 4.786 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.312 -8.373 7.221 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.561 -9.562 6.907 1.00 1.37 H new ATOM 0 HE2 LYS A 6 1.317 -9.932 6.002 1.00 1.93 H new ATOM 0 HE3 LYS A 6 0.746 -10.457 7.574 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.746 -12.216 5.896 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.800 -11.938 6.541 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.408 -11.358 4.994 1.00 2.09 H new ATOM 114 N THR A 7 -4.639 -6.829 3.393 1.00 0.58 N ATOM 115 CA THR A 7 -5.989 -6.375 3.279 1.00 0.78 C ATOM 116 C THR A 7 -6.834 -6.782 4.437 1.00 0.94 C ATOM 117 O THR A 7 -6.571 -7.666 5.250 1.00 0.99 O ATOM 118 CB THR A 7 -6.623 -6.673 1.952 1.00 0.90 C ATOM 119 OG1 THR A 7 -7.047 -8.023 1.837 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.671 -6.462 0.763 1.00 0.92 C ATOM 0 H THR A 7 -4.564 -7.814 3.140 1.00 0.58 H new ATOM 0 HA THR A 7 -5.927 -5.287 3.317 1.00 0.78 H new ATOM 0 HB THR A 7 -7.462 -5.978 1.918 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.306 -8.207 0.910 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.192 -6.695 -0.166 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.339 -5.424 0.743 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.806 -7.117 0.868 1.00 0.92 H new ATOM 128 N LEU A 8 -7.957 -6.055 4.582 1.00 1.17 N ATOM 129 CA LEU A 8 -8.934 -6.375 5.576 1.00 1.39 C ATOM 130 C LEU A 8 -9.691 -7.620 5.264 1.00 1.44 C ATOM 131 O LEU A 8 -10.144 -8.251 6.218 1.00 1.60 O ATOM 132 CB LEU A 8 -9.961 -5.236 5.689 1.00 1.66 C ATOM 133 CG LEU A 8 -9.370 -3.952 6.296 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.059 -2.689 5.752 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.454 -3.913 7.832 1.00 2.43 C ATOM 0 H LEU A 8 -8.188 -5.244 4.009 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.383 -6.519 6.505 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.359 -5.013 4.699 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.799 -5.569 6.302 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.321 -3.966 6.000 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -9.611 -1.806 6.207 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -9.933 -2.643 4.670 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.122 -2.722 5.993 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.020 -2.982 8.197 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.498 -3.973 8.141 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.904 -4.757 8.248 1.00 2.43 H new ATOM 147 N THR A 9 -9.896 -8.025 3.998 1.00 1.41 N ATOM 148 CA THR A 9 -10.643 -9.174 3.592 1.00 1.51 C ATOM 149 C THR A 9 -9.881 -10.417 3.901 1.00 1.37 C ATOM 150 O THR A 9 -10.502 -11.376 4.357 1.00 1.62 O ATOM 151 CB THR A 9 -11.075 -9.164 2.155 1.00 1.65 C ATOM 152 OG1 THR A 9 -12.201 -10.010 1.976 1.00 1.89 O ATOM 153 CG2 THR A 9 -9.970 -9.606 1.181 1.00 2.08 C ATOM 0 H THR A 9 -9.512 -7.513 3.204 1.00 1.41 H new ATOM 0 HA THR A 9 -11.567 -9.145 4.169 1.00 1.51 H new ATOM 0 HB THR A 9 -11.323 -8.128 1.924 1.00 1.65 H new ATOM 0 HG1 THR A 9 -12.475 -9.995 1.035 1.00 1.89 H new ATOM 0 HG21 THR A 9 -10.351 -9.575 0.160 1.00 2.08 H new ATOM 0 HG22 THR A 9 -9.116 -8.934 1.270 1.00 2.08 H new ATOM 0 HG23 THR A 9 -9.658 -10.622 1.421 1.00 2.08 H new ATOM 161 N GLY A 10 -8.547 -10.444 3.728 1.00 1.18 N ATOM 162 CA GLY A 10 -7.667 -11.447 4.240 1.00 1.22 C ATOM 163 C GLY A 10 -6.429 -11.603 3.426 1.00 0.99 C ATOM 164 O GLY A 10 -5.523 -12.366 3.761 1.00 1.31 O ATOM 0 H GLY A 10 -8.055 -9.723 3.200 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -7.393 -11.194 5.264 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -8.194 -12.401 4.277 1.00 1.22 H new ATOM 168 N LYS A 11 -6.381 -10.976 2.238 1.00 0.73 N ATOM 169 CA LYS A 11 -5.417 -11.179 1.202 1.00 0.60 C ATOM 170 C LYS A 11 -4.127 -10.471 1.436 1.00 0.51 C ATOM 171 O LYS A 11 -4.092 -9.324 1.877 1.00 0.63 O ATOM 172 CB LYS A 11 -6.012 -10.722 -0.141 1.00 0.75 C ATOM 173 CG LYS A 11 -5.215 -10.969 -1.423 1.00 0.87 C ATOM 174 CD LYS A 11 -4.971 -12.448 -1.727 1.00 1.04 C ATOM 175 CE LYS A 11 -4.382 -12.755 -3.105 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.482 -12.569 -4.077 1.00 1.40 N ATOM 0 H LYS A 11 -7.072 -10.271 1.983 1.00 0.73 H new ATOM 0 HA LYS A 11 -5.189 -12.245 1.192 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.980 -11.209 -0.256 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -6.200 -9.651 -0.071 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -5.746 -10.519 -2.262 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.254 -10.461 -1.345 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -4.300 -12.850 -0.968 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.917 -12.981 -1.630 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.549 -12.089 -3.329 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -3.996 -13.774 -3.145 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.187 -12.926 -5.008 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.321 -13.092 -3.756 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.712 -11.558 -4.152 1.00 1.40 H new ATOM 190 N THR A 12 -2.969 -11.124 1.227 1.00 0.49 N ATOM 191 CA THR A 12 -1.639 -10.605 1.321 1.00 0.48 C ATOM 192 C THR A 12 -1.059 -10.474 -0.045 1.00 0.52 C ATOM 193 O THR A 12 -0.971 -11.439 -0.803 1.00 0.72 O ATOM 194 CB THR A 12 -0.672 -11.455 2.090 1.00 0.64 C ATOM 195 OG1 THR A 12 -1.124 -11.698 3.415 1.00 0.77 O ATOM 196 CG2 THR A 12 0.723 -10.820 2.212 1.00 0.78 C ATOM 0 H THR A 12 -2.967 -12.110 0.967 1.00 0.49 H new ATOM 0 HA THR A 12 -1.757 -9.659 1.849 1.00 0.48 H new ATOM 0 HB THR A 12 -0.608 -12.381 1.519 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.931 -12.627 3.661 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.376 -11.483 2.779 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.140 -10.663 1.217 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.643 -9.863 2.727 1.00 0.78 H new ATOM 204 N ILE A 13 -0.744 -9.225 -0.432 1.00 0.48 N ATOM 205 CA ILE A 13 -0.148 -8.983 -1.709 1.00 0.55 C ATOM 206 C ILE A 13 1.308 -8.678 -1.633 1.00 0.51 C ATOM 207 O ILE A 13 1.715 -7.573 -1.272 1.00 0.56 O ATOM 208 CB ILE A 13 -0.854 -7.825 -2.353 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.381 -7.897 -2.182 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.465 -7.680 -3.834 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.261 -6.739 -2.650 1.00 1.55 C ATOM 0 H ILE A 13 -0.900 -8.390 0.133 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.251 -9.898 -2.293 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.520 -6.929 -1.830 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.723 -8.793 -2.700 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.581 -8.047 -1.121 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.995 -6.832 -4.268 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.610 -7.516 -3.914 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.734 -8.589 -4.371 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.306 -6.971 -2.447 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.981 -5.830 -2.117 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -3.125 -6.588 -3.721 1.00 1.55 H new ATOM 223 N THR A 14 2.229 -9.585 -2.002 1.00 0.55 N ATOM 224 CA THR A 14 3.652 -9.449 -1.963 1.00 0.54 C ATOM 225 C THR A 14 4.091 -8.651 -3.142 1.00 0.55 C ATOM 226 O THR A 14 3.922 -9.014 -4.304 1.00 0.72 O ATOM 227 CB THR A 14 4.294 -10.800 -2.071 1.00 0.67 C ATOM 228 OG1 THR A 14 3.753 -11.701 -1.116 1.00 1.08 O ATOM 229 CG2 THR A 14 5.811 -10.817 -1.813 1.00 1.03 C ATOM 0 H THR A 14 1.950 -10.498 -2.361 1.00 0.55 H new ATOM 0 HA THR A 14 3.938 -8.966 -1.029 1.00 0.54 H new ATOM 0 HB THR A 14 4.094 -11.089 -3.103 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.187 -12.575 -1.208 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.186 -11.836 -1.913 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.311 -10.174 -2.537 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.013 -10.454 -0.805 1.00 1.03 H new ATOM 237 N LEU A 15 4.715 -7.473 -2.959 1.00 0.50 N ATOM 238 CA LEU A 15 5.154 -6.664 -4.052 1.00 0.55 C ATOM 239 C LEU A 15 6.625 -6.431 -4.006 1.00 0.52 C ATOM 240 O LEU A 15 7.226 -6.309 -2.939 1.00 0.58 O ATOM 241 CB LEU A 15 4.436 -5.304 -4.063 1.00 0.69 C ATOM 242 CG LEU A 15 2.916 -5.487 -4.203 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.164 -4.156 -4.039 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.456 -6.145 -5.515 1.00 1.55 C ATOM 0 H LEU A 15 4.917 -7.078 -2.041 1.00 0.50 H new ATOM 0 HA LEU A 15 4.908 -7.211 -4.962 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.658 -4.764 -3.143 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.811 -4.697 -4.887 1.00 0.69 H new ATOM 0 HG LEU A 15 2.668 -6.174 -3.394 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.093 -4.328 -4.145 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.369 -3.741 -3.052 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.496 -3.454 -4.804 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.369 -6.230 -5.518 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.775 -5.534 -6.360 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.898 -7.138 -5.598 1.00 1.55 H new ATOM 256 N GLU A 16 7.274 -6.184 -5.158 1.00 0.59 N ATOM 257 CA GLU A 16 8.613 -5.714 -5.332 1.00 0.63 C ATOM 258 C GLU A 16 8.609 -4.376 -5.989 1.00 0.65 C ATOM 259 O GLU A 16 8.071 -4.117 -7.064 1.00 0.81 O ATOM 260 CB GLU A 16 9.492 -6.645 -6.185 1.00 0.76 C ATOM 261 CG GLU A 16 10.034 -7.767 -5.298 1.00 1.41 C ATOM 262 CD GLU A 16 10.907 -8.592 -6.232 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.488 -8.929 -7.372 1.00 1.92 O ATOM 264 OE2 GLU A 16 11.999 -9.034 -5.787 1.00 1.95 O ATOM 0 H GLU A 16 6.812 -6.329 -6.056 1.00 0.59 H new ATOM 0 HA GLU A 16 9.036 -5.672 -4.328 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.911 -7.062 -7.007 1.00 0.76 H new ATOM 0 HB3 GLU A 16 10.315 -6.084 -6.628 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.609 -7.371 -4.461 1.00 1.41 H new ATOM 0 HG3 GLU A 16 9.227 -8.365 -4.875 1.00 1.41 H new ATOM 271 N VAL A 17 9.191 -3.416 -5.248 1.00 0.61 N ATOM 272 CA VAL A 17 9.135 -2.026 -5.578 1.00 0.63 C ATOM 273 C VAL A 17 10.533 -1.524 -5.468 1.00 0.65 C ATOM 274 O VAL A 17 11.433 -2.163 -4.925 1.00 0.76 O ATOM 275 CB VAL A 17 8.346 -1.286 -4.539 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.903 -1.805 -4.655 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.800 -1.448 -3.078 1.00 0.92 C ATOM 0 H VAL A 17 9.715 -3.612 -4.395 1.00 0.61 H new ATOM 0 HA VAL A 17 8.689 -1.886 -6.563 1.00 0.63 H new ATOM 0 HB VAL A 17 8.479 -0.224 -4.745 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.275 -1.301 -3.920 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.523 -1.603 -5.656 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.887 -2.879 -4.471 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.149 -0.864 -2.428 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.747 -2.499 -2.795 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.826 -1.096 -2.975 1.00 0.92 H new ATOM 287 N GLU A 18 10.819 -0.306 -5.962 1.00 0.68 N ATOM 288 CA GLU A 18 12.007 0.340 -5.497 1.00 0.74 C ATOM 289 C GLU A 18 11.647 1.494 -4.626 1.00 0.71 C ATOM 290 O GLU A 18 10.590 2.092 -4.822 1.00 0.74 O ATOM 291 CB GLU A 18 12.860 0.827 -6.681 1.00 0.88 C ATOM 292 CG GLU A 18 13.400 -0.378 -7.453 1.00 1.16 C ATOM 293 CD GLU A 18 14.444 -1.140 -6.649 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.407 -0.548 -6.093 1.00 2.35 O ATOM 295 OE2 GLU A 18 14.306 -2.390 -6.581 1.00 2.33 O ATOM 0 H GLU A 18 10.263 0.209 -6.645 1.00 0.68 H new ATOM 0 HA GLU A 18 12.590 -0.380 -4.923 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.261 1.455 -7.340 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.686 1.440 -6.320 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.577 -1.046 -7.707 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.839 -0.042 -8.392 1.00 1.16 H new ATOM 302 N PRO A 19 12.421 1.834 -3.637 1.00 0.74 N ATOM 303 CA PRO A 19 12.054 2.840 -2.685 1.00 0.74 C ATOM 304 C PRO A 19 11.715 4.220 -3.132 1.00 0.70 C ATOM 305 O PRO A 19 11.170 5.047 -2.402 1.00 0.74 O ATOM 306 CB PRO A 19 13.136 2.856 -1.608 1.00 0.86 C ATOM 307 CG PRO A 19 14.253 1.892 -2.041 1.00 0.95 C ATOM 308 CD PRO A 19 13.524 1.051 -3.101 1.00 0.82 C ATOM 0 HA PRO A 19 11.069 2.526 -2.339 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.531 3.864 -1.480 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.721 2.552 -0.647 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.114 2.418 -2.453 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.617 1.285 -1.212 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.211 0.770 -3.899 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.152 0.126 -2.660 1.00 0.82 H new ATOM 316 N SER A 20 12.131 4.576 -4.360 1.00 0.70 N ATOM 317 CA SER A 20 11.938 5.854 -4.974 1.00 0.74 C ATOM 318 C SER A 20 10.679 5.917 -5.769 1.00 0.71 C ATOM 319 O SER A 20 10.418 6.912 -6.442 1.00 0.80 O ATOM 320 CB SER A 20 13.100 6.298 -5.878 1.00 0.89 C ATOM 321 OG SER A 20 14.161 6.807 -5.084 1.00 1.45 O ATOM 0 H SER A 20 12.636 3.928 -4.964 1.00 0.70 H new ATOM 0 HA SER A 20 11.882 6.540 -4.129 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.451 5.456 -6.474 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.758 7.062 -6.577 1.00 0.89 H new ATOM 0 HG SER A 20 14.899 7.087 -5.665 1.00 1.45 H new ATOM 327 N ASP A 21 9.872 4.841 -5.752 1.00 0.70 N ATOM 328 CA ASP A 21 8.559 4.729 -6.308 1.00 0.73 C ATOM 329 C ASP A 21 7.619 5.525 -5.468 1.00 0.64 C ATOM 330 O ASP A 21 7.957 5.856 -4.332 1.00 0.66 O ATOM 331 CB ASP A 21 7.984 3.308 -6.438 1.00 0.87 C ATOM 332 CG ASP A 21 8.769 2.589 -7.525 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.010 3.206 -8.598 1.00 1.50 O ATOM 334 OD2 ASP A 21 9.158 1.393 -7.453 1.00 1.69 O ATOM 0 H ASP A 21 10.167 3.971 -5.308 1.00 0.70 H new ATOM 0 HA ASP A 21 8.661 5.096 -7.329 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.065 2.774 -5.491 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.925 3.346 -6.693 1.00 0.87 H new ATOM 339 N THR A 22 6.421 5.888 -5.960 1.00 0.63 N ATOM 340 CA THR A 22 5.535 6.622 -5.112 1.00 0.58 C ATOM 341 C THR A 22 4.560 5.656 -4.533 1.00 0.53 C ATOM 342 O THR A 22 4.447 4.494 -4.923 1.00 0.58 O ATOM 343 CB THR A 22 4.728 7.658 -5.837 1.00 0.63 C ATOM 344 OG1 THR A 22 4.153 7.190 -7.047 1.00 0.70 O ATOM 345 CG2 THR A 22 5.695 8.815 -6.140 1.00 0.75 C ATOM 0 H THR A 22 6.077 5.686 -6.899 1.00 0.63 H new ATOM 0 HA THR A 22 6.152 7.130 -4.371 1.00 0.58 H new ATOM 0 HB THR A 22 3.886 7.954 -5.211 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.641 7.912 -7.467 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.163 9.605 -6.670 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.094 9.210 -5.206 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.515 8.451 -6.759 1.00 0.75 H new ATOM 353 N ILE A 23 3.844 6.042 -3.462 1.00 0.51 N ATOM 354 CA ILE A 23 2.784 5.323 -2.826 1.00 0.48 C ATOM 355 C ILE A 23 1.685 4.921 -3.748 1.00 0.48 C ATOM 356 O ILE A 23 1.243 3.774 -3.739 1.00 0.51 O ATOM 357 CB ILE A 23 2.210 6.052 -1.648 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.296 6.338 -0.596 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.062 5.265 -0.993 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.181 5.149 -0.222 1.00 0.73 C ATOM 0 H ILE A 23 4.024 6.935 -3.003 1.00 0.51 H new ATOM 0 HA ILE A 23 3.265 4.411 -2.473 1.00 0.48 H new ATOM 0 HB ILE A 23 1.813 6.995 -2.024 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.934 7.140 -0.967 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.813 6.707 0.308 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.674 5.827 -0.144 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.265 5.110 -1.721 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.432 4.299 -0.650 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.911 5.460 0.525 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.563 4.349 0.185 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.701 4.789 -1.110 1.00 0.73 H new ATOM 372 N GLU A 24 1.253 5.780 -4.688 1.00 0.50 N ATOM 373 CA GLU A 24 0.408 5.456 -5.795 1.00 0.53 C ATOM 374 C GLU A 24 0.858 4.354 -6.693 1.00 0.50 C ATOM 375 O GLU A 24 0.011 3.590 -7.153 1.00 0.55 O ATOM 376 CB GLU A 24 -0.110 6.710 -6.520 1.00 0.64 C ATOM 377 CG GLU A 24 -1.395 6.547 -7.333 1.00 0.95 C ATOM 378 CD GLU A 24 -1.934 7.932 -7.660 1.00 1.05 C ATOM 379 OE1 GLU A 24 -2.251 8.718 -6.728 1.00 1.62 O ATOM 380 OE2 GLU A 24 -2.024 8.165 -8.895 1.00 1.56 O ATOM 0 H GLU A 24 1.512 6.767 -4.673 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.457 4.985 -5.329 1.00 0.53 H new ATOM 0 HB2 GLU A 24 -0.273 7.491 -5.777 1.00 0.64 H new ATOM 0 HB3 GLU A 24 0.674 7.066 -7.189 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -1.196 5.991 -8.249 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -2.132 5.977 -6.768 1.00 0.95 H new ATOM 387 N ASN A 25 2.158 4.105 -6.929 1.00 0.51 N ATOM 388 CA ASN A 25 2.758 3.061 -7.698 1.00 0.52 C ATOM 389 C ASN A 25 2.502 1.719 -7.102 1.00 0.47 C ATOM 390 O ASN A 25 2.209 0.739 -7.785 1.00 0.53 O ATOM 391 CB ASN A 25 4.261 3.206 -7.997 1.00 0.64 C ATOM 392 CG ASN A 25 4.518 4.402 -8.903 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.640 4.909 -8.917 1.00 2.13 O ATOM 394 ND2 ASN A 25 3.538 4.909 -9.699 1.00 1.57 N ATOM 0 H ASN A 25 2.872 4.713 -6.529 1.00 0.51 H new ATOM 0 HA ASN A 25 2.259 3.159 -8.662 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.812 3.325 -7.064 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.631 2.298 -8.472 1.00 0.64 H new ATOM 0 HD21 ASN A 25 3.734 5.706 -10.304 1.00 1.57 H new ATOM 0 HD22 ASN A 25 2.607 4.492 -9.690 1.00 1.57 H new ATOM 401 N VAL A 26 2.528 1.609 -5.762 1.00 0.45 N ATOM 402 CA VAL A 26 2.290 0.405 -5.029 1.00 0.44 C ATOM 403 C VAL A 26 0.848 0.061 -5.182 1.00 0.40 C ATOM 404 O VAL A 26 0.530 -1.104 -5.419 1.00 0.44 O ATOM 405 CB VAL A 26 2.676 0.536 -3.585 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.334 -0.726 -2.775 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.155 0.949 -3.497 1.00 0.62 C ATOM 0 H VAL A 26 2.726 2.406 -5.157 1.00 0.45 H new ATOM 0 HA VAL A 26 2.913 -0.396 -5.427 1.00 0.44 H new ATOM 0 HB VAL A 26 2.083 1.323 -3.119 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.632 -0.583 -1.736 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.261 -0.909 -2.823 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.867 -1.581 -3.191 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.444 1.047 -2.451 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.774 0.190 -3.975 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.297 1.904 -4.003 1.00 0.62 H new ATOM 417 N LYS A 27 -0.126 0.987 -5.145 1.00 0.40 N ATOM 418 CA LYS A 27 -1.496 0.740 -5.472 1.00 0.41 C ATOM 419 C LYS A 27 -1.735 0.285 -6.870 1.00 0.38 C ATOM 420 O LYS A 27 -2.650 -0.475 -7.182 1.00 0.42 O ATOM 421 CB LYS A 27 -2.298 2.047 -5.355 1.00 0.51 C ATOM 422 CG LYS A 27 -2.195 2.931 -4.111 1.00 0.76 C ATOM 423 CD LYS A 27 -3.378 3.898 -4.178 1.00 0.82 C ATOM 424 CE LYS A 27 -3.195 4.971 -3.104 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.214 6.044 -3.118 1.00 1.11 N ATOM 0 H LYS A 27 0.050 1.954 -4.874 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.798 -0.045 -4.778 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.024 2.666 -6.209 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.350 1.787 -5.474 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.234 2.331 -3.202 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.249 3.473 -4.095 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.435 4.357 -5.165 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.314 3.362 -4.021 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.207 4.491 -2.125 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.211 5.423 -3.226 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.861 6.865 -2.586 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.408 6.325 -4.100 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.090 5.697 -2.678 1.00 1.11 H new ATOM 439 N ALA A 28 -0.944 0.814 -7.821 1.00 0.39 N ATOM 440 CA ALA A 28 -1.182 0.312 -9.138 1.00 0.39 C ATOM 441 C ALA A 28 -0.838 -1.107 -9.436 1.00 0.36 C ATOM 442 O ALA A 28 -1.447 -1.709 -10.319 1.00 0.42 O ATOM 443 CB ALA A 28 -0.334 1.227 -10.040 1.00 0.51 C ATOM 0 H ALA A 28 -0.213 1.516 -7.704 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.261 0.320 -9.292 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.449 0.921 -11.080 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.666 2.259 -9.926 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.715 1.150 -9.753 1.00 0.51 H new ATOM 449 N LYS A 29 0.115 -1.685 -8.682 1.00 0.39 N ATOM 450 CA LYS A 29 0.507 -3.056 -8.575 1.00 0.43 C ATOM 451 C LYS A 29 -0.619 -3.787 -7.930 1.00 0.44 C ATOM 452 O LYS A 29 -0.868 -4.952 -8.237 1.00 0.54 O ATOM 453 CB LYS A 29 1.764 -3.095 -7.691 1.00 0.54 C ATOM 454 CG LYS A 29 2.979 -2.635 -8.497 1.00 0.65 C ATOM 455 CD LYS A 29 4.340 -2.928 -7.862 1.00 1.08 C ATOM 456 CE LYS A 29 5.526 -2.538 -8.746 1.00 1.24 C ATOM 457 NZ LYS A 29 5.551 -1.082 -9.013 1.00 1.44 N ATOM 0 H LYS A 29 0.685 -1.106 -8.065 1.00 0.39 H new ATOM 0 HA LYS A 29 0.727 -3.513 -9.540 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.628 -2.452 -6.822 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.926 -4.106 -7.317 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.945 -3.111 -9.477 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.898 -1.561 -8.662 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.412 -2.393 -6.915 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.403 -3.992 -7.633 1.00 1.08 H new ATOM 0 HE2 LYS A 29 6.456 -2.836 -8.261 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.471 -3.081 -9.690 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.413 -0.841 -9.543 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 4.715 -0.817 -9.572 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.543 -0.564 -8.111 1.00 1.44 H new ATOM 471 N ILE A 30 -1.395 -3.249 -6.971 1.00 0.41 N ATOM 472 CA ILE A 30 -2.498 -3.903 -6.339 1.00 0.44 C ATOM 473 C ILE A 30 -3.639 -3.946 -7.296 1.00 0.45 C ATOM 474 O ILE A 30 -4.373 -4.920 -7.452 1.00 0.56 O ATOM 475 CB ILE A 30 -2.933 -3.159 -5.111 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.854 -3.368 -4.035 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.305 -3.574 -4.552 1.00 0.56 C ATOM 478 CD1 ILE A 30 -2.132 -2.739 -2.671 1.00 1.32 C ATOM 0 H ILE A 30 -1.243 -2.304 -6.618 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.189 -4.908 -6.050 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.049 -2.113 -5.395 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.712 -4.440 -3.896 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.913 -2.968 -4.411 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.531 -2.981 -3.666 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -5.072 -3.405 -5.308 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.285 -4.631 -4.286 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.303 -2.953 -1.996 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.240 -1.660 -2.783 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -3.052 -3.155 -2.259 1.00 1.32 H new ATOM 490 N GLN A 31 -3.869 -2.873 -8.076 1.00 0.41 N ATOM 491 CA GLN A 31 -4.879 -2.702 -9.071 1.00 0.48 C ATOM 492 C GLN A 31 -4.698 -3.653 -10.204 1.00 0.52 C ATOM 493 O GLN A 31 -5.637 -4.339 -10.603 1.00 0.66 O ATOM 494 CB GLN A 31 -4.850 -1.336 -9.779 1.00 0.52 C ATOM 495 CG GLN A 31 -6.033 -1.108 -10.723 1.00 0.70 C ATOM 496 CD GLN A 31 -5.821 0.062 -11.674 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.960 0.913 -11.462 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.667 0.177 -12.733 1.00 1.43 N ATOM 0 H GLN A 31 -3.284 -2.041 -7.998 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.799 -2.843 -8.503 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.839 -0.547 -9.027 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.923 -1.250 -10.345 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.206 -2.014 -11.304 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.932 -0.931 -10.133 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.377 -0.536 -12.898 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.591 0.976 -13.362 1.00 1.43 H new ATOM 507 N ASP A 32 -3.434 -3.921 -10.577 1.00 0.50 N ATOM 508 CA ASP A 32 -3.159 -4.938 -11.544 1.00 0.60 C ATOM 509 C ASP A 32 -3.418 -6.311 -11.025 1.00 0.65 C ATOM 510 O ASP A 32 -4.057 -7.146 -11.661 1.00 0.81 O ATOM 511 CB ASP A 32 -1.759 -4.756 -12.154 1.00 0.67 C ATOM 512 CG ASP A 32 -1.583 -5.431 -13.507 1.00 0.91 C ATOM 513 OD1 ASP A 32 -2.389 -5.144 -14.432 1.00 1.51 O ATOM 514 OD2 ASP A 32 -0.678 -6.302 -13.600 1.00 1.55 O ATOM 0 H ASP A 32 -2.611 -3.440 -10.214 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.869 -4.818 -12.363 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.556 -3.690 -12.261 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.017 -5.154 -11.461 1.00 0.67 H new ATOM 519 N LYS A 33 -2.985 -6.578 -9.778 1.00 0.62 N ATOM 520 CA LYS A 33 -3.179 -7.841 -9.136 1.00 0.73 C ATOM 521 C LYS A 33 -4.530 -8.241 -8.652 1.00 0.69 C ATOM 522 O LYS A 33 -5.004 -9.366 -8.803 1.00 0.83 O ATOM 523 CB LYS A 33 -2.310 -7.850 -7.868 1.00 0.85 C ATOM 524 CG LYS A 33 -0.883 -8.147 -8.335 1.00 1.31 C ATOM 525 CD LYS A 33 0.042 -8.459 -7.156 1.00 1.71 C ATOM 526 CE LYS A 33 1.504 -8.739 -7.510 1.00 2.26 C ATOM 527 NZ LYS A 33 1.709 -9.818 -8.502 1.00 2.62 N ATOM 0 H LYS A 33 -2.488 -5.898 -9.203 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.943 -8.539 -9.939 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.360 -6.890 -7.354 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.655 -8.607 -7.164 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.893 -8.992 -9.024 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.494 -7.291 -8.887 1.00 1.31 H new ATOM 0 HD2 LYS A 33 0.011 -7.619 -6.462 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.356 -9.325 -6.626 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.952 -7.822 -7.894 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.041 -8.998 -6.597 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.727 -9.937 -8.680 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.315 -10.707 -8.134 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.229 -9.569 -9.390 1.00 2.62 H new ATOM 541 N GLU A 34 -5.222 -7.346 -7.924 1.00 0.63 N ATOM 542 CA GLU A 34 -6.380 -7.677 -7.153 1.00 0.67 C ATOM 543 C GLU A 34 -7.634 -7.137 -7.748 1.00 0.69 C ATOM 544 O GLU A 34 -8.699 -7.745 -7.647 1.00 0.95 O ATOM 545 CB GLU A 34 -6.039 -7.259 -5.713 1.00 0.73 C ATOM 546 CG GLU A 34 -6.954 -7.727 -4.580 1.00 0.83 C ATOM 547 CD GLU A 34 -7.108 -9.241 -4.532 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.074 -9.957 -4.617 1.00 1.48 O ATOM 549 OE2 GLU A 34 -8.271 -9.704 -4.394 1.00 1.37 O ATOM 0 H GLU A 34 -4.967 -6.360 -7.870 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.613 -8.742 -7.150 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.032 -7.615 -5.494 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.005 -6.170 -5.683 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -6.554 -7.377 -3.628 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -7.936 -7.270 -4.700 1.00 0.83 H new ATOM 556 N GLY A 35 -7.604 -5.989 -8.450 1.00 0.63 N ATOM 557 CA GLY A 35 -8.727 -5.415 -9.125 1.00 0.68 C ATOM 558 C GLY A 35 -9.507 -4.404 -8.358 1.00 0.76 C ATOM 559 O GLY A 35 -10.736 -4.347 -8.369 1.00 1.12 O ATOM 0 H GLY A 35 -6.754 -5.434 -8.551 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.373 -4.949 -10.045 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.401 -6.221 -9.415 1.00 0.68 H new ATOM 563 N ILE A 36 -8.808 -3.574 -7.563 1.00 0.70 N ATOM 564 CA ILE A 36 -9.322 -2.499 -6.771 1.00 0.76 C ATOM 565 C ILE A 36 -8.757 -1.259 -7.374 1.00 0.71 C ATOM 566 O ILE A 36 -7.546 -1.355 -7.567 1.00 0.73 O ATOM 567 CB ILE A 36 -8.921 -2.531 -5.327 1.00 0.88 C ATOM 568 CG1 ILE A 36 -9.415 -3.841 -4.689 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.400 -1.295 -4.547 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.579 -4.257 -3.479 1.00 1.16 C ATOM 0 H ILE A 36 -7.797 -3.664 -7.467 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.410 -2.563 -6.777 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.833 -2.499 -5.277 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.455 -3.723 -4.384 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -9.390 -4.636 -5.434 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.080 -1.374 -3.508 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.972 -0.396 -4.991 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.488 -1.238 -4.589 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.971 -5.187 -3.068 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.543 -4.404 -3.785 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.625 -3.477 -2.719 1.00 1.16 H new ATOM 582 N PRO A 37 -9.429 -0.221 -7.774 1.00 0.75 N ATOM 583 CA PRO A 37 -8.712 0.847 -8.409 1.00 0.79 C ATOM 584 C PRO A 37 -7.966 1.654 -7.403 1.00 0.75 C ATOM 585 O PRO A 37 -8.407 1.751 -6.259 1.00 0.75 O ATOM 586 CB PRO A 37 -9.879 1.669 -8.953 1.00 0.95 C ATOM 587 CG PRO A 37 -11.036 1.401 -7.979 1.00 1.02 C ATOM 588 CD PRO A 37 -10.873 -0.092 -7.653 1.00 0.85 C ATOM 0 HA PRO A 37 -7.975 0.523 -9.144 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.632 2.730 -8.991 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.138 1.365 -9.967 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -10.963 2.020 -7.085 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -12.004 1.612 -8.434 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.231 -0.342 -6.654 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.409 -0.732 -8.354 1.00 0.85 H new ATOM 596 N PRO A 38 -6.865 2.279 -7.697 1.00 0.81 N ATOM 597 CA PRO A 38 -6.069 3.058 -6.795 1.00 0.85 C ATOM 598 C PRO A 38 -6.843 4.146 -6.134 1.00 0.89 C ATOM 599 O PRO A 38 -6.630 4.436 -4.958 1.00 0.99 O ATOM 600 CB PRO A 38 -4.943 3.630 -7.653 1.00 1.01 C ATOM 601 CG PRO A 38 -5.459 3.585 -9.101 1.00 1.25 C ATOM 602 CD PRO A 38 -6.472 2.430 -9.090 1.00 0.98 C ATOM 0 HA PRO A 38 -5.699 2.442 -5.975 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.703 4.650 -7.354 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.031 3.043 -7.544 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -5.928 4.526 -9.389 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.651 3.402 -9.809 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.333 2.655 -9.720 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.027 1.513 -9.475 1.00 0.98 H new ATOM 610 N ASP A 39 -7.863 4.753 -6.768 1.00 0.96 N ATOM 611 CA ASP A 39 -8.881 5.603 -6.231 1.00 1.11 C ATOM 612 C ASP A 39 -9.485 5.209 -4.928 1.00 1.00 C ATOM 613 O ASP A 39 -9.362 6.068 -4.057 1.00 1.14 O ATOM 614 CB ASP A 39 -9.987 5.733 -7.292 1.00 1.39 C ATOM 615 CG ASP A 39 -9.343 6.456 -8.467 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.869 7.619 -8.373 1.00 2.23 O ATOM 617 OD2 ASP A 39 -9.287 5.826 -9.556 1.00 2.25 O ATOM 0 H ASP A 39 -7.985 4.631 -7.773 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.379 6.543 -6.000 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.360 4.754 -7.591 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.838 6.294 -6.905 1.00 1.39 H new ATOM 622 N GLN A 40 -9.938 3.966 -4.684 1.00 0.87 N ATOM 623 CA GLN A 40 -10.484 3.494 -3.448 1.00 0.84 C ATOM 624 C GLN A 40 -9.521 3.107 -2.380 1.00 0.67 C ATOM 625 O GLN A 40 -9.882 3.015 -1.208 1.00 0.80 O ATOM 626 CB GLN A 40 -11.393 2.282 -3.711 1.00 0.95 C ATOM 627 CG GLN A 40 -12.618 2.698 -4.529 1.00 1.32 C ATOM 628 CD GLN A 40 -13.423 1.466 -4.915 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.101 0.314 -4.626 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.476 1.772 -5.719 1.00 2.02 N ATOM 0 H GLN A 40 -9.921 3.241 -5.401 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.014 4.365 -3.063 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.836 1.512 -4.245 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.712 1.847 -2.764 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.238 3.382 -3.950 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.304 3.234 -5.425 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.695 2.747 -5.923 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.047 1.027 -6.118 1.00 2.02 H new ATOM 639 N GLN A 41 -8.273 2.820 -2.792 1.00 0.56 N ATOM 640 CA GLN A 41 -7.241 2.275 -1.965 1.00 0.51 C ATOM 641 C GLN A 41 -6.644 3.306 -1.071 1.00 0.49 C ATOM 642 O GLN A 41 -6.142 4.343 -1.500 1.00 0.65 O ATOM 643 CB GLN A 41 -6.094 1.614 -2.749 1.00 0.67 C ATOM 644 CG GLN A 41 -6.490 0.365 -3.540 1.00 0.69 C ATOM 645 CD GLN A 41 -5.377 -0.112 -4.462 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.225 -0.129 -4.032 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.561 -0.243 -5.803 1.00 0.61 N ATOM 0 H GLN A 41 -7.968 2.977 -3.753 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.749 1.506 -1.383 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.676 2.346 -3.440 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.302 1.347 -2.050 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.751 -0.434 -2.846 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.381 0.579 -4.130 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.504 -0.233 -6.192 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.756 -0.351 -6.420 1.00 0.61 H new ATOM 656 N ARG A 42 -6.515 3.026 0.238 1.00 0.47 N ATOM 657 CA ARG A 42 -5.781 3.810 1.182 1.00 0.55 C ATOM 658 C ARG A 42 -4.711 2.960 1.774 1.00 0.46 C ATOM 659 O ARG A 42 -5.010 1.853 2.219 1.00 0.52 O ATOM 660 CB ARG A 42 -6.653 4.466 2.265 1.00 0.73 C ATOM 661 CG ARG A 42 -7.624 5.461 1.629 1.00 1.04 C ATOM 662 CD ARG A 42 -8.784 5.783 2.574 1.00 1.28 C ATOM 663 NE ARG A 42 -9.454 6.924 1.888 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.296 7.744 2.582 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.765 7.301 3.784 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.595 9.031 2.239 1.00 2.78 N ATOM 0 H ARG A 42 -6.948 2.205 0.661 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.341 4.651 0.646 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.208 3.701 2.808 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.021 4.977 2.991 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.094 6.379 1.374 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.013 5.049 0.698 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.455 4.933 2.697 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.433 6.058 3.569 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.283 7.093 0.897 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.484 6.385 4.135 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -11.396 7.886 4.332 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.177 9.447 1.407 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -11.237 9.576 2.815 1.00 2.78 H new ATOM 680 N LEU A 43 -3.443 3.405 1.840 1.00 0.46 N ATOM 681 CA LEU A 43 -2.422 2.587 2.416 1.00 0.42 C ATOM 682 C LEU A 43 -2.009 3.115 3.746 1.00 0.43 C ATOM 683 O LEU A 43 -1.812 4.318 3.909 1.00 0.55 O ATOM 684 CB LEU A 43 -1.229 2.459 1.454 1.00 0.55 C ATOM 685 CG LEU A 43 -1.301 1.327 0.415 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.026 1.430 -0.440 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.374 -0.024 1.145 1.00 1.12 C ATOM 0 H LEU A 43 -3.129 4.314 1.501 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.824 1.587 2.577 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.118 3.404 0.922 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.326 2.319 2.048 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.184 1.408 -0.219 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.030 0.644 -1.195 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.006 2.404 -0.929 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.850 1.315 0.198 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.425 -0.830 0.414 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.486 -0.151 1.764 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.263 -0.049 1.776 1.00 1.12 H new ATOM 699 N ILE A 44 -1.971 2.219 4.750 1.00 0.42 N ATOM 700 CA ILE A 44 -1.574 2.490 6.097 1.00 0.46 C ATOM 701 C ILE A 44 -0.217 1.966 6.422 1.00 0.42 C ATOM 702 O ILE A 44 0.032 0.777 6.233 1.00 0.53 O ATOM 703 CB ILE A 44 -2.538 2.036 7.151 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.005 2.403 6.869 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.163 2.349 8.609 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.310 3.900 6.866 1.00 1.27 C ATOM 0 H ILE A 44 -2.235 1.244 4.611 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.561 3.580 6.124 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.441 0.954 7.061 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.287 1.989 5.901 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.634 1.921 7.618 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.939 1.970 9.274 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.213 1.872 8.851 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.070 3.427 8.737 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.369 4.055 6.658 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.066 4.323 7.840 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -3.714 4.391 6.097 1.00 1.27 H new ATOM 718 N PHE A 45 0.677 2.812 6.964 1.00 0.42 N ATOM 719 CA PHE A 45 1.965 2.439 7.459 1.00 0.46 C ATOM 720 C PHE A 45 2.242 3.458 8.510 1.00 0.68 C ATOM 721 O PHE A 45 1.960 4.651 8.419 1.00 1.50 O ATOM 722 CB PHE A 45 2.954 2.323 6.287 1.00 0.56 C ATOM 723 CG PHE A 45 4.253 1.699 6.667 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.377 0.330 6.710 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.372 2.453 6.926 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.612 -0.229 6.938 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.535 1.861 7.358 1.00 1.33 C ATOM 728 CZ PHE A 45 6.720 0.499 7.299 1.00 1.02 C ATOM 0 H PHE A 45 0.490 3.810 7.062 1.00 0.42 H new ATOM 0 HA PHE A 45 2.047 1.453 7.916 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.496 1.735 5.492 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.142 3.317 5.881 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.512 -0.300 6.566 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.337 3.524 6.789 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.717 -1.298 6.827 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.325 2.482 7.754 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.669 0.035 7.521 1.00 1.02 H new ATOM 738 N ALA A 46 2.868 3.010 9.613 1.00 0.81 N ATOM 739 CA ALA A 46 3.225 3.780 10.763 1.00 0.96 C ATOM 740 C ALA A 46 2.075 4.332 11.534 1.00 0.97 C ATOM 741 O ALA A 46 2.133 5.291 12.302 1.00 1.21 O ATOM 742 CB ALA A 46 4.322 4.829 10.517 1.00 1.20 C ATOM 0 H ALA A 46 3.145 2.033 9.706 1.00 0.81 H new ATOM 0 HA ALA A 46 3.674 3.031 11.415 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.528 5.365 11.444 1.00 1.20 H new ATOM 0 HB2 ALA A 46 5.230 4.332 10.176 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.987 5.535 9.757 1.00 1.20 H new ATOM 748 N GLY A 47 0.860 3.823 11.267 1.00 0.99 N ATOM 749 CA GLY A 47 -0.394 4.162 11.867 1.00 1.10 C ATOM 750 C GLY A 47 -1.074 5.410 11.421 1.00 1.03 C ATOM 751 O GLY A 47 -2.026 5.937 11.994 1.00 1.30 O ATOM 0 H GLY A 47 0.746 3.099 10.557 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.079 3.331 11.698 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.239 4.234 12.944 1.00 1.10 H new ATOM 755 N LYS A 48 -0.619 5.857 10.236 1.00 0.98 N ATOM 756 CA LYS A 48 -1.064 6.971 9.457 1.00 1.05 C ATOM 757 C LYS A 48 -1.395 6.553 8.066 1.00 0.84 C ATOM 758 O LYS A 48 -0.732 5.643 7.572 1.00 0.81 O ATOM 759 CB LYS A 48 -0.118 8.183 9.471 1.00 1.42 C ATOM 760 CG LYS A 48 1.165 7.775 8.745 1.00 1.61 C ATOM 761 CD LYS A 48 2.422 8.615 8.982 1.00 1.87 C ATOM 762 CE LYS A 48 2.274 10.098 8.641 1.00 2.22 C ATOM 763 NZ LYS A 48 3.467 10.891 9.015 1.00 2.55 N ATOM 0 H LYS A 48 0.153 5.377 9.773 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.972 7.321 9.947 1.00 1.05 H new ATOM 0 HB2 LYS A 48 -0.582 9.037 8.978 1.00 1.42 H new ATOM 0 HB3 LYS A 48 0.101 8.486 10.495 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.393 6.746 9.023 1.00 1.61 H new ATOM 0 HG3 LYS A 48 0.958 7.777 7.675 1.00 1.61 H new ATOM 0 HD2 LYS A 48 2.711 8.524 10.029 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.237 8.200 8.389 1.00 1.87 H new ATOM 0 HE2 LYS A 48 2.092 10.205 7.572 1.00 2.22 H new ATOM 0 HE3 LYS A 48 1.400 10.499 9.154 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 3.314 11.888 8.762 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 3.628 10.814 10.040 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.298 10.528 8.506 1.00 2.55 H new ATOM 777 N GLN A 49 -2.335 7.188 7.343 1.00 0.84 N ATOM 778 CA GLN A 49 -2.525 6.953 5.945 1.00 0.80 C ATOM 779 C GLN A 49 -1.535 7.692 5.112 1.00 0.72 C ATOM 780 O GLN A 49 -1.175 8.842 5.363 1.00 0.83 O ATOM 781 CB GLN A 49 -3.905 7.432 5.461 1.00 1.03 C ATOM 782 CG GLN A 49 -4.279 7.009 4.039 1.00 1.67 C ATOM 783 CD GLN A 49 -5.674 7.558 3.778 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.638 7.261 4.484 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.966 8.313 2.686 1.00 2.48 N ATOM 0 H GLN A 49 -2.975 7.878 7.737 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.415 5.875 5.830 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -4.664 7.055 6.147 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.935 8.520 5.519 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.565 7.404 3.316 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.265 5.924 3.941 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.221 8.601 2.051 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.930 8.592 2.502 1.00 2.48 H new ATOM 794 N LEU A 50 -0.880 7.062 4.120 1.00 0.69 N ATOM 795 CA LEU A 50 0.181 7.658 3.369 1.00 0.66 C ATOM 796 C LEU A 50 -0.269 8.419 2.170 1.00 0.72 C ATOM 797 O LEU A 50 -1.151 7.945 1.457 1.00 0.90 O ATOM 798 CB LEU A 50 1.191 6.599 2.895 1.00 0.65 C ATOM 799 CG LEU A 50 1.714 5.600 3.942 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.465 4.490 3.188 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.483 6.227 5.116 1.00 0.74 C ATOM 0 H LEU A 50 -1.096 6.108 3.832 1.00 0.69 H new ATOM 0 HA LEU A 50 0.639 8.361 4.064 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.729 6.030 2.088 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.049 7.119 2.468 1.00 0.65 H new ATOM 0 HG LEU A 50 0.868 5.163 4.473 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.851 3.762 3.902 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.783 3.995 2.497 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.294 4.926 2.630 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.810 5.442 5.798 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.353 6.763 4.736 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.833 6.922 5.647 1.00 0.74 H new ATOM 813 N GLU A 51 0.303 9.619 1.961 1.00 0.70 N ATOM 814 CA GLU A 51 0.067 10.558 0.909 1.00 0.76 C ATOM 815 C GLU A 51 0.560 9.976 -0.372 1.00 0.77 C ATOM 816 O GLU A 51 1.708 9.541 -0.423 1.00 1.23 O ATOM 817 CB GLU A 51 0.686 11.945 1.153 1.00 0.88 C ATOM 818 CG GLU A 51 0.109 12.642 2.387 1.00 1.35 C ATOM 819 CD GLU A 51 0.702 14.042 2.324 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.890 14.293 2.662 1.00 1.94 O ATOM 821 OE2 GLU A 51 -0.142 14.934 2.042 1.00 1.89 O ATOM 0 H GLU A 51 1.012 9.967 2.606 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.008 10.732 0.867 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.765 11.841 1.271 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.520 12.571 0.277 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.980 12.667 2.359 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.393 12.128 3.306 1.00 1.35 H new ATOM 828 N ASP A 52 -0.311 9.921 -1.396 1.00 0.66 N ATOM 829 CA ASP A 52 -0.055 9.291 -2.654 1.00 0.65 C ATOM 830 C ASP A 52 1.218 9.539 -3.387 1.00 0.60 C ATOM 831 O ASP A 52 1.920 8.714 -3.970 1.00 0.62 O ATOM 832 CB ASP A 52 -1.311 9.352 -3.540 1.00 0.81 C ATOM 833 CG ASP A 52 -2.624 9.274 -2.773 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.829 8.239 -2.086 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.448 10.226 -2.824 1.00 1.44 O ATOM 0 H ASP A 52 -1.241 10.337 -1.343 1.00 0.66 H new ATOM 0 HA ASP A 52 0.168 8.267 -2.356 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.293 10.279 -4.112 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.274 8.533 -4.259 1.00 0.81 H new ATOM 840 N GLY A 53 1.532 10.844 -3.463 1.00 0.68 N ATOM 841 CA GLY A 53 2.713 11.301 -4.128 1.00 0.73 C ATOM 842 C GLY A 53 3.923 11.604 -3.314 1.00 0.72 C ATOM 843 O GLY A 53 4.807 12.406 -3.614 1.00 0.97 O ATOM 0 H GLY A 53 0.963 11.589 -3.060 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.991 10.546 -4.864 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.452 12.204 -4.680 1.00 0.73 H new ATOM 847 N ARG A 54 4.107 10.866 -2.204 1.00 0.64 N ATOM 848 CA ARG A 54 5.375 10.726 -1.559 1.00 0.63 C ATOM 849 C ARG A 54 5.957 9.402 -1.918 1.00 0.59 C ATOM 850 O ARG A 54 5.305 8.495 -2.431 1.00 0.62 O ATOM 851 CB ARG A 54 5.303 10.951 -0.039 1.00 0.69 C ATOM 852 CG ARG A 54 4.859 12.371 0.316 1.00 0.82 C ATOM 853 CD ARG A 54 4.878 12.658 1.818 1.00 1.18 C ATOM 854 NE ARG A 54 4.533 14.103 1.924 1.00 1.50 N ATOM 855 CZ ARG A 54 5.485 15.014 2.281 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.807 14.674 2.314 1.00 2.48 N ATOM 857 NH2 ARG A 54 5.177 16.277 2.699 1.00 2.49 N ATOM 0 H ARG A 54 3.355 10.354 -1.744 1.00 0.64 H new ATOM 0 HA ARG A 54 6.038 11.512 -1.920 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.608 10.235 0.400 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.281 10.757 0.402 1.00 0.69 H new ATOM 0 HG2 ARG A 54 5.510 13.084 -0.190 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.851 12.534 -0.064 1.00 0.82 H new ATOM 0 HD2 ARG A 54 4.157 12.037 2.350 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.857 12.451 2.250 1.00 1.18 H new ATOM 0 HE ARG A 54 3.581 14.413 1.729 1.00 1.50 H new ATOM 0 HH11 ARG A 54 7.096 13.727 2.070 1.00 2.48 H new ATOM 0 HH12 ARG A 54 7.505 15.367 2.583 1.00 2.48 H new ATOM 0 HH21 ARG A 54 4.202 16.572 2.754 1.00 2.49 H new ATOM 0 HH22 ARG A 54 5.922 16.925 2.956 1.00 2.49 H new ATOM 871 N THR A 55 7.293 9.323 -1.784 1.00 0.63 N ATOM 872 CA THR A 55 8.021 8.133 -2.097 1.00 0.61 C ATOM 873 C THR A 55 8.021 7.212 -0.927 1.00 0.59 C ATOM 874 O THR A 55 7.578 7.606 0.151 1.00 0.64 O ATOM 875 CB THR A 55 9.400 8.448 -2.598 1.00 0.68 C ATOM 876 OG1 THR A 55 10.118 9.264 -1.685 1.00 0.75 O ATOM 877 CG2 THR A 55 9.237 9.098 -3.982 1.00 0.76 C ATOM 0 H THR A 55 7.875 10.093 -1.455 1.00 0.63 H new ATOM 0 HA THR A 55 7.521 7.616 -2.916 1.00 0.61 H new ATOM 0 HB THR A 55 9.998 7.541 -2.687 1.00 0.68 H new ATOM 0 HG1 THR A 55 11.012 9.447 -2.043 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.219 9.345 -4.386 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.733 8.403 -4.653 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.644 10.008 -3.889 1.00 0.76 H new ATOM 885 N LEU A 56 8.455 5.963 -1.169 1.00 0.58 N ATOM 886 CA LEU A 56 8.509 5.004 -0.109 1.00 0.59 C ATOM 887 C LEU A 56 9.585 5.372 0.852 1.00 0.64 C ATOM 888 O LEU A 56 9.422 5.270 2.068 1.00 0.70 O ATOM 889 CB LEU A 56 8.672 3.604 -0.724 1.00 0.60 C ATOM 890 CG LEU A 56 7.455 3.174 -1.560 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.913 2.200 -2.658 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.348 2.550 -0.693 1.00 1.03 C ATOM 0 H LEU A 56 8.763 5.621 -2.079 1.00 0.58 H new ATOM 0 HA LEU A 56 7.585 4.996 0.470 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.562 3.590 -1.353 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.834 2.879 0.073 1.00 0.60 H new ATOM 0 HG LEU A 56 7.023 4.063 -2.020 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.053 1.892 -3.253 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.642 2.693 -3.301 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.369 1.323 -2.199 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.509 2.262 -1.326 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.738 1.669 -0.184 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.012 3.277 0.046 1.00 1.03 H new ATOM 904 N SER A 57 10.756 5.825 0.371 1.00 0.68 N ATOM 905 CA SER A 57 11.854 6.298 1.154 1.00 0.75 C ATOM 906 C SER A 57 11.601 7.456 2.058 1.00 0.76 C ATOM 907 O SER A 57 12.372 7.662 2.995 1.00 0.84 O ATOM 908 CB SER A 57 13.139 6.456 0.323 1.00 0.84 C ATOM 909 OG SER A 57 13.057 7.622 -0.483 1.00 1.19 O ATOM 0 H SER A 57 10.947 5.863 -0.630 1.00 0.68 H new ATOM 0 HA SER A 57 12.006 5.487 1.866 1.00 0.75 H new ATOM 0 HB2 SER A 57 14.003 6.521 0.984 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.285 5.578 -0.307 1.00 0.84 H new ATOM 0 HG SER A 57 13.880 7.716 -1.007 1.00 1.19 H new ATOM 915 N ASP A 58 10.532 8.247 1.858 1.00 0.75 N ATOM 916 CA ASP A 58 10.060 9.306 2.695 1.00 0.78 C ATOM 917 C ASP A 58 9.492 8.785 3.969 1.00 0.77 C ATOM 918 O ASP A 58 9.696 9.273 5.080 1.00 0.86 O ATOM 919 CB ASP A 58 9.088 10.159 1.861 1.00 0.83 C ATOM 920 CG ASP A 58 9.045 11.600 2.349 1.00 1.23 C ATOM 921 OD1 ASP A 58 9.855 12.006 3.225 1.00 1.86 O ATOM 922 OD2 ASP A 58 8.198 12.348 1.794 1.00 1.90 O ATOM 0 H ASP A 58 9.944 8.133 1.032 1.00 0.75 H new ATOM 0 HA ASP A 58 10.878 9.948 3.020 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.391 10.138 0.814 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.089 9.727 1.912 1.00 0.83 H new ATOM 927 N TYR A 59 8.668 7.726 3.877 1.00 0.72 N ATOM 928 CA TYR A 59 8.139 7.037 5.012 1.00 0.73 C ATOM 929 C TYR A 59 9.070 6.015 5.568 1.00 0.76 C ATOM 930 O TYR A 59 8.665 5.261 6.452 1.00 0.89 O ATOM 931 CB TYR A 59 6.836 6.391 4.509 1.00 0.73 C ATOM 932 CG TYR A 59 5.832 7.467 4.277 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.353 8.140 5.377 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.334 7.685 3.014 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.437 9.145 5.178 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.367 8.646 2.839 1.00 0.70 C ATOM 937 CZ TYR A 59 3.903 9.347 3.927 1.00 0.74 C ATOM 938 OH TYR A 59 2.862 10.289 3.783 1.00 0.86 O ATOM 0 H TYR A 59 8.361 7.337 2.985 1.00 0.72 H new ATOM 0 HA TYR A 59 7.975 7.727 5.840 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.019 5.839 3.587 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.461 5.675 5.241 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.688 7.885 6.372 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.696 7.111 2.174 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.137 9.775 6.002 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.974 8.849 1.854 1.00 0.70 H new ATOM 0 HH TYR A 59 2.964 10.995 4.455 1.00 0.86 H new ATOM 948 N ASN A 60 10.298 5.854 5.044 1.00 0.74 N ATOM 949 CA ASN A 60 11.348 4.976 5.459 1.00 0.79 C ATOM 950 C ASN A 60 11.041 3.519 5.500 1.00 0.75 C ATOM 951 O ASN A 60 11.402 2.871 6.482 1.00 0.86 O ATOM 952 CB ASN A 60 12.031 5.408 6.768 1.00 0.95 C ATOM 953 CG ASN A 60 12.767 6.732 6.908 1.00 1.25 C ATOM 954 OD1 ASN A 60 12.477 7.642 7.683 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.716 6.911 5.951 1.00 1.83 N ATOM 0 H ASN A 60 10.585 6.405 4.235 1.00 0.74 H new ATOM 0 HA ASN A 60 12.047 5.093 4.631 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.261 5.396 7.540 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.747 4.625 7.019 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.196 7.807 5.870 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.948 6.149 5.314 1.00 1.83 H new ATOM 962 N ILE A 61 10.455 2.996 4.409 1.00 0.67 N ATOM 963 CA ILE A 61 9.982 1.662 4.204 1.00 0.65 C ATOM 964 C ILE A 61 11.070 0.754 3.743 1.00 0.66 C ATOM 965 O ILE A 61 11.732 0.997 2.735 1.00 0.75 O ATOM 966 CB ILE A 61 8.826 1.713 3.250 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.741 2.684 3.745 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.122 0.357 3.072 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.568 3.043 2.834 1.00 0.82 C ATOM 0 H ILE A 61 10.297 3.573 3.583 1.00 0.67 H new ATOM 0 HA ILE A 61 9.640 1.241 5.149 1.00 0.65 H new ATOM 0 HB ILE A 61 9.266 2.032 2.305 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.324 2.266 4.661 1.00 0.70 H new ATOM 0 HG13 ILE A 61 8.238 3.615 4.017 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.296 0.465 2.369 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.833 -0.374 2.687 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.738 0.017 4.034 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.906 3.738 3.350 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.944 3.509 1.923 1.00 0.82 H new ATOM 0 HD13 ILE A 61 6.016 2.139 2.578 1.00 0.82 H new ATOM 981 N GLN A 62 11.381 -0.212 4.626 1.00 0.67 N ATOM 982 CA GLN A 62 12.453 -1.125 4.377 1.00 0.70 C ATOM 983 C GLN A 62 11.996 -2.379 3.716 1.00 0.62 C ATOM 984 O GLN A 62 10.849 -2.593 3.324 1.00 0.64 O ATOM 985 CB GLN A 62 13.167 -1.373 5.716 1.00 0.85 C ATOM 986 CG GLN A 62 13.655 -0.176 6.534 1.00 1.27 C ATOM 987 CD GLN A 62 14.643 0.751 5.839 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.460 0.432 4.977 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.506 2.056 6.195 1.00 2.16 N ATOM 0 H GLN A 62 10.892 -0.361 5.509 1.00 0.67 H new ATOM 0 HA GLN A 62 13.155 -0.693 3.664 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.490 -1.948 6.348 1.00 0.85 H new ATOM 0 HB3 GLN A 62 14.031 -2.007 5.515 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.787 0.411 6.835 1.00 1.27 H new ATOM 0 HG3 GLN A 62 14.119 -0.550 7.447 1.00 1.27 H new ATOM 0 HE21 GLN A 62 13.829 2.321 6.910 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.081 2.770 5.747 1.00 2.16 H new ATOM 998 N LYS A 63 12.978 -3.291 3.604 1.00 0.64 N ATOM 999 CA LYS A 63 12.720 -4.589 3.060 1.00 0.62 C ATOM 1000 C LYS A 63 11.750 -5.386 3.862 1.00 0.59 C ATOM 1001 O LYS A 63 11.735 -5.342 5.092 1.00 0.66 O ATOM 1002 CB LYS A 63 13.954 -5.438 2.710 1.00 0.74 C ATOM 1003 CG LYS A 63 14.901 -5.787 3.860 1.00 0.89 C ATOM 1004 CD LYS A 63 16.294 -6.247 3.428 1.00 1.11 C ATOM 1005 CE LYS A 63 16.353 -7.591 2.698 1.00 1.47 C ATOM 1006 NZ LYS A 63 17.718 -7.721 2.145 1.00 2.12 N ATOM 0 H LYS A 63 13.945 -3.132 3.888 1.00 0.64 H new ATOM 0 HA LYS A 63 12.261 -4.340 2.103 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.609 -6.369 2.260 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.526 -4.908 1.948 1.00 0.74 H new ATOM 0 HG2 LYS A 63 15.006 -4.913 4.503 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.445 -6.573 4.462 1.00 0.89 H new ATOM 0 HD2 LYS A 63 16.724 -5.483 2.780 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.927 -6.307 4.313 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.134 -8.411 3.381 1.00 1.47 H new ATOM 0 HE3 LYS A 63 15.609 -7.631 1.903 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 17.803 -8.625 1.638 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.902 -6.937 1.487 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 18.411 -7.693 2.920 1.00 2.12 H new ATOM 1020 N GLU A 64 10.834 -6.069 3.154 1.00 0.57 N ATOM 1021 CA GLU A 64 9.961 -7.040 3.736 1.00 0.58 C ATOM 1022 C GLU A 64 9.011 -6.479 4.737 1.00 0.56 C ATOM 1023 O GLU A 64 8.466 -7.209 5.563 1.00 0.70 O ATOM 1024 CB GLU A 64 10.723 -8.285 4.222 1.00 0.72 C ATOM 1025 CG GLU A 64 11.531 -8.861 3.058 1.00 0.96 C ATOM 1026 CD GLU A 64 12.360 -10.098 3.373 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.268 -10.446 4.579 1.00 1.69 O ATOM 1028 OE2 GLU A 64 13.062 -10.608 2.459 1.00 1.71 O ATOM 0 H GLU A 64 10.697 -5.943 2.151 1.00 0.57 H new ATOM 0 HA GLU A 64 9.311 -7.382 2.930 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.386 -8.023 5.047 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.024 -9.031 4.600 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.843 -9.105 2.249 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.199 -8.085 2.685 1.00 0.96 H new ATOM 1035 N SER A 65 8.635 -5.201 4.550 1.00 0.51 N ATOM 1036 CA SER A 65 7.754 -4.476 5.411 1.00 0.51 C ATOM 1037 C SER A 65 6.307 -4.742 5.175 1.00 0.43 C ATOM 1038 O SER A 65 5.834 -4.963 4.061 1.00 0.50 O ATOM 1039 CB SER A 65 7.896 -2.964 5.168 1.00 0.65 C ATOM 1040 OG SER A 65 9.139 -2.381 5.529 1.00 1.04 O ATOM 0 H SER A 65 8.962 -4.647 3.759 1.00 0.51 H new ATOM 0 HA SER A 65 8.040 -4.800 6.412 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.722 -2.770 4.110 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.106 -2.454 5.719 1.00 0.65 H new ATOM 0 HG SER A 65 9.745 -2.399 4.759 1.00 1.04 H new ATOM 1046 N THR A 66 5.488 -4.781 6.241 1.00 0.45 N ATOM 1047 CA THR A 66 4.086 -5.036 6.129 1.00 0.45 C ATOM 1048 C THR A 66 3.298 -3.771 6.175 1.00 0.43 C ATOM 1049 O THR A 66 3.251 -3.165 7.244 1.00 0.58 O ATOM 1050 CB THR A 66 3.663 -5.961 7.231 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.637 -6.962 7.485 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.348 -6.658 6.841 1.00 0.78 C ATOM 0 H THR A 66 5.806 -4.633 7.199 1.00 0.45 H new ATOM 0 HA THR A 66 3.891 -5.505 5.164 1.00 0.45 H new ATOM 0 HB THR A 66 3.537 -5.359 8.131 1.00 0.61 H new ATOM 0 HG1 THR A 66 4.327 -7.544 8.210 1.00 0.79 H new ATOM 0 HG21 THR A 66 2.041 -7.330 7.642 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.573 -5.909 6.679 1.00 0.78 H new ATOM 0 HG23 THR A 66 2.497 -7.230 5.925 1.00 0.78 H new ATOM 1060 N LEU A 67 2.570 -3.420 5.100 1.00 0.38 N ATOM 1061 CA LEU A 67 1.665 -2.320 4.968 1.00 0.38 C ATOM 1062 C LEU A 67 0.294 -2.897 5.040 1.00 0.37 C ATOM 1063 O LEU A 67 0.119 -4.078 4.739 1.00 0.50 O ATOM 1064 CB LEU A 67 1.676 -1.584 3.618 1.00 0.46 C ATOM 1065 CG LEU A 67 2.972 -0.919 3.124 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.982 -1.988 2.678 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.582 0.007 1.958 1.00 1.31 C ATOM 0 H LEU A 67 2.622 -3.963 4.238 1.00 0.38 H new ATOM 0 HA LEU A 67 1.959 -1.610 5.741 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.365 -2.298 2.855 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.909 -0.810 3.662 1.00 0.46 H new ATOM 0 HG LEU A 67 3.451 -0.345 3.917 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.895 -1.504 2.331 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.215 -2.641 3.519 1.00 1.40 H new ATOM 0 HD13 LEU A 67 3.553 -2.578 1.868 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.473 0.503 1.573 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.123 -0.582 1.164 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.873 0.757 2.310 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.703 -2.049 5.348 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.050 -2.503 5.511 1.00 0.37 C ATOM 1081 C HIS A 68 -2.879 -1.688 4.580 1.00 0.35 C ATOM 1082 O HIS A 68 -2.710 -0.474 4.465 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.495 -2.550 6.982 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.669 -3.511 7.785 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.570 -3.178 8.549 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.885 -4.838 7.987 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.116 -4.316 9.140 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.926 -5.319 8.856 1.00 1.51 N ATOM 0 H HIS A 68 -0.576 -1.046 5.485 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.170 -3.551 5.237 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.418 -1.553 7.417 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.544 -2.841 7.035 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.677 -5.421 7.541 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.773 -4.388 9.749 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.856 -6.272 9.212 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.779 -2.404 3.883 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.631 -1.849 2.879 1.00 0.38 C ATOM 1098 C LEU A 69 -5.946 -1.635 3.548 1.00 0.41 C ATOM 1099 O LEU A 69 -6.567 -2.545 4.095 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.933 -2.764 1.681 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.557 -2.058 0.465 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -4.532 -1.079 -0.135 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -6.041 -3.023 -0.630 1.00 1.14 C ATOM 0 H LEU A 69 -3.918 -3.405 4.024 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.124 -0.967 2.488 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -4.006 -3.244 1.367 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.607 -3.555 2.008 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.440 -1.532 0.828 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -4.970 -0.576 -0.997 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.255 -0.338 0.615 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -3.644 -1.628 -0.448 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.469 -2.453 -1.455 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -5.199 -3.612 -0.994 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.799 -3.690 -0.218 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.497 -0.414 3.430 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.850 -0.171 3.824 1.00 0.56 C ATOM 1117 C VAL A 70 -8.500 0.344 2.586 1.00 0.55 C ATOM 1118 O VAL A 70 -7.846 0.609 1.579 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.976 0.741 5.009 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.168 0.133 6.168 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.497 2.186 4.792 1.00 0.97 C ATOM 0 H VAL A 70 -6.008 0.402 3.063 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.341 -1.073 4.189 1.00 0.56 H new ATOM 0 HB VAL A 70 -9.044 0.814 5.215 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.244 0.779 7.043 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -7.564 -0.853 6.410 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.122 0.042 5.874 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.633 2.756 5.711 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.441 2.182 4.520 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -8.076 2.645 3.991 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.840 0.464 2.617 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.568 0.999 1.508 1.00 0.84 C ATOM 1133 C LEU A 71 -11.375 2.186 1.909 1.00 0.85 C ATOM 1134 O LEU A 71 -11.698 2.279 3.092 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.477 -0.061 0.863 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.636 -1.219 0.302 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.670 -2.181 -0.307 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.703 -0.652 -0.782 1.00 2.78 C ATOM 0 H LEU A 71 -10.419 0.190 3.411 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.831 1.314 0.769 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.184 -0.441 1.601 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.063 0.392 0.063 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.017 -1.721 1.045 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.158 -3.043 -0.734 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.357 -2.516 0.470 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.229 -1.667 -1.089 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.095 -1.456 -1.196 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.299 -0.202 -1.576 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.053 0.105 -0.343 1.00 2.78 H new