USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 -63:sc= 2.29 USER MOD Set 1.2: A 57 SER OG : rot -53:sc= 1.18 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 2.35 (180deg=2.31) USER MOD Single : A 2 GLN : amide:sc= 0.777 K(o=0.78,f=-0.4) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 136:sc= 1.86 (180deg=0.105) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -91:sc= 0.0408 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= 1.22 (180deg=-0.749) USER MOD Single : A 29 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.124) USER MOD Single : A 31 GLN : amide:sc= -0.081 K(o=-0.081,f=-1.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.227 K(o=-0.23,f=-1.5) USER MOD Single : A 41 GLN : amide:sc= 0.5 K(o=0.5,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.548 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=-0.22) USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00357) USER MOD Single : A 65 SER OG : rot 180:sc=-0.00179 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.0488 X(o=0.049,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.430 -7.404 -4.144 1.00 9.67 N ATOM 2 CA MET A 1 11.243 -7.722 -2.717 1.00 10.38 C ATOM 3 C MET A 1 9.836 -7.945 -2.323 1.00 9.62 C ATOM 4 O MET A 1 8.919 -7.532 -2.934 1.00 9.62 O ATOM 5 CB MET A 1 11.857 -6.532 -1.903 1.00 13.77 C ATOM 6 CG MET A 1 11.020 -5.254 -1.791 1.00 16.29 C ATOM 7 SD MET A 1 11.835 -4.007 -0.769 1.00 17.17 S ATOM 8 CE MET A 1 10.523 -2.815 -0.932 1.00 16.11 C ATOM 0 H1 MET A 1 12.446 -7.363 -4.360 1.00 9.67 H new ATOM 0 H2 MET A 1 10.982 -8.141 -4.725 1.00 9.67 H new ATOM 0 H3 MET A 1 10.994 -6.484 -4.355 1.00 9.67 H new ATOM 0 HA MET A 1 11.741 -8.669 -2.508 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.069 -6.887 -0.894 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.813 -6.271 -2.356 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.841 -4.848 -2.787 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.046 -5.493 -1.365 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.779 -1.914 -0.375 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.387 -2.565 -1.984 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.598 -3.235 -0.537 1.00 16.11 H new ATOM 20 N GLN A 2 9.604 -8.577 -1.197 1.00 9.27 N ATOM 21 CA GLN A 2 8.205 -8.821 -0.691 1.00 9.07 C ATOM 22 C GLN A 2 7.838 -7.616 0.171 1.00 8.72 C ATOM 23 O GLN A 2 8.601 -7.084 0.967 1.00 8.22 O ATOM 24 CB GLN A 2 8.109 -10.114 0.126 1.00 14.46 C ATOM 25 CG GLN A 2 7.818 -11.325 -0.804 1.00 17.01 C ATOM 26 CD GLN A 2 8.675 -11.387 -2.070 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.899 -11.483 -1.992 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.127 -11.258 -3.305 1.00 19.49 N ATOM 0 H GLN A 2 10.338 -8.944 -0.591 1.00 9.27 H new ATOM 0 HA GLN A 2 7.518 -8.939 -1.529 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.041 -10.279 0.667 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.319 -10.022 0.872 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.967 -12.244 -0.237 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.768 -11.297 -1.095 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.116 -11.176 -3.408 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.727 -11.243 -4.130 1.00 19.49 H new ATOM 37 N ILE A 3 6.532 -7.184 0.088 1.00 5.87 N ATOM 38 CA ILE A 3 5.970 -6.440 1.180 1.00 5.07 C ATOM 39 C ILE A 3 4.837 -7.300 1.694 1.00 4.01 C ATOM 40 O ILE A 3 4.173 -7.879 0.880 1.00 4.61 O ATOM 41 CB ILE A 3 5.438 -4.978 0.973 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.575 -4.948 -0.314 1.00 4.72 C ATOM 43 CG2 ILE A 3 6.688 -4.164 1.008 1.00 5.58 C ATOM 44 CD1 ILE A 3 3.892 -3.571 -0.461 1.00 10.83 C ATOM 0 H ILE A 3 5.907 -7.348 -0.701 1.00 5.87 H new ATOM 0 HA ILE A 3 6.811 -6.253 1.847 1.00 5.07 H new ATOM 0 HB ILE A 3 4.753 -4.573 1.718 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.199 -5.148 -1.185 1.00 4.72 H new ATOM 0 HG13 ILE A 3 3.821 -5.734 -0.275 1.00 4.72 H new ATOM 0 HG21 ILE A 3 6.441 -3.111 0.872 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.183 -4.299 1.969 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.355 -4.486 0.208 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.288 -3.560 -1.368 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.253 -3.388 0.403 1.00 10.83 H new ATOM 0 HD13 ILE A 3 4.652 -2.792 -0.522 1.00 10.83 H new ATOM 56 N PHE A 4 4.490 -7.343 2.963 1.00 4.55 N ATOM 57 CA PHE A 4 3.240 -7.943 3.486 1.00 4.68 C ATOM 58 C PHE A 4 2.168 -6.881 3.793 1.00 5.30 C ATOM 59 O PHE A 4 2.427 -5.942 4.507 1.00 5.58 O ATOM 60 CB PHE A 4 3.375 -8.834 4.736 1.00 4.83 C ATOM 61 CG PHE A 4 4.385 -9.908 4.542 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.930 -11.109 4.006 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.700 -9.769 5.036 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.826 -12.210 3.961 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.515 -10.910 5.112 1.00 10.61 C ATOM 66 CZ PHE A 4 6.075 -12.124 4.551 1.00 8.90 C ATOM 0 H PHE A 4 5.078 -6.953 3.700 1.00 4.55 H new ATOM 0 HA PHE A 4 2.945 -8.591 2.661 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.657 -8.220 5.591 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.409 -9.281 4.970 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.921 -11.202 3.633 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.072 -8.805 5.349 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.530 -13.121 3.463 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.477 -10.856 5.600 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.716 -12.993 4.581 1.00 8.90 H new ATOM 76 N VAL A 5 1.024 -6.960 3.128 1.00 4.44 N ATOM 77 CA VAL A 5 -0.014 -5.929 3.089 1.00 3.87 C ATOM 78 C VAL A 5 -1.184 -6.401 3.972 1.00 4.93 C ATOM 79 O VAL A 5 -1.766 -7.481 3.738 1.00 6.84 O ATOM 80 CB VAL A 5 -0.547 -5.653 1.690 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.602 -4.546 1.677 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.649 -5.243 0.770 1.00 9.13 C ATOM 0 H VAL A 5 0.779 -7.781 2.574 1.00 4.44 H new ATOM 0 HA VAL A 5 0.434 -5.001 3.446 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.027 -6.562 1.326 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.950 -4.387 0.656 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.443 -4.837 2.306 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.166 -3.623 2.059 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.282 -5.042 -0.236 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.124 -4.347 1.169 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.376 -6.054 0.736 1.00 9.13 H new ATOM 92 N LYS A 6 -1.427 -5.693 5.027 1.00 6.04 N ATOM 93 CA LYS A 6 -2.091 -6.208 6.210 1.00 6.12 C ATOM 94 C LYS A 6 -3.241 -5.351 6.770 1.00 6.57 C ATOM 95 O LYS A 6 -3.103 -4.144 6.942 1.00 5.76 O ATOM 96 CB LYS A 6 -1.074 -6.213 7.340 1.00 7.45 C ATOM 97 CG LYS A 6 -1.421 -7.302 8.327 1.00 11.12 C ATOM 98 CD LYS A 6 -0.433 -7.518 9.442 1.00 14.54 C ATOM 99 CE LYS A 6 -0.829 -8.370 10.659 1.00 18.84 C ATOM 100 NZ LYS A 6 0.126 -8.262 11.760 1.00 20.55 N ATOM 0 H LYS A 6 -1.167 -4.710 5.105 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.494 -7.172 5.900 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.073 -6.375 6.941 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.065 -5.244 7.840 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.391 -7.071 8.767 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.533 -8.238 7.781 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.457 -7.970 9.005 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.142 -6.535 9.814 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.815 -8.062 11.007 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.910 -9.414 10.355 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.190 -8.856 12.553 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 1.063 -8.581 11.440 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.186 -7.272 12.072 1.00 20.55 H new ATOM 114 N THR A 7 -4.420 -5.971 7.051 1.00 7.41 N ATOM 115 CA THR A 7 -5.564 -5.211 7.566 1.00 7.48 C ATOM 116 C THR A 7 -5.716 -5.502 9.089 1.00 8.75 C ATOM 117 O THR A 7 -4.923 -6.305 9.606 1.00 8.58 O ATOM 118 CB THR A 7 -6.826 -5.535 6.890 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.127 -6.938 7.151 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.615 -5.371 5.338 1.00 9.17 C ATOM 0 H THR A 7 -4.589 -6.970 6.929 1.00 7.41 H new ATOM 0 HA THR A 7 -5.362 -4.157 7.377 1.00 7.48 H new ATOM 0 HB THR A 7 -7.628 -4.886 7.242 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.968 -7.180 6.710 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.543 -5.608 4.818 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.327 -4.343 5.117 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.829 -6.048 5.004 1.00 9.17 H new ATOM 128 N LEU A 8 -6.547 -4.711 9.794 1.00 9.84 N ATOM 129 CA LEU A 8 -6.734 -4.761 11.258 1.00 14.15 C ATOM 130 C LEU A 8 -7.072 -6.100 11.808 1.00 17.37 C ATOM 131 O LEU A 8 -6.571 -6.583 12.803 1.00 17.01 O ATOM 132 CB LEU A 8 -8.000 -3.848 11.535 1.00 16.63 C ATOM 133 CG LEU A 8 -7.759 -2.334 11.596 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.093 -1.609 11.647 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.868 -2.045 12.844 1.00 18.59 C ATOM 0 H LEU A 8 -7.124 -3.998 9.348 1.00 9.84 H new ATOM 0 HA LEU A 8 -5.796 -4.458 11.724 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.737 -4.044 10.756 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.444 -4.160 12.480 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.240 -1.971 10.709 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.921 -0.534 11.690 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.672 -1.848 10.755 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.645 -1.924 12.533 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.678 -0.974 12.915 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.382 -2.383 13.744 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.921 -2.576 12.746 1.00 18.59 H new ATOM 147 N THR A 9 -7.947 -6.845 11.124 1.00 18.33 N ATOM 148 CA THR A 9 -8.352 -8.185 11.569 1.00 19.24 C ATOM 149 C THR A 9 -7.534 -9.334 11.118 1.00 19.48 C ATOM 150 O THR A 9 -7.818 -10.514 11.409 1.00 23.14 O ATOM 151 CB THR A 9 -9.760 -8.458 11.165 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.997 -8.275 9.790 1.00 20.24 O ATOM 153 CG2 THR A 9 -10.597 -7.430 11.934 1.00 19.70 C ATOM 0 H THR A 9 -8.390 -6.542 10.257 1.00 18.33 H new ATOM 0 HA THR A 9 -8.209 -8.127 12.648 1.00 19.24 H new ATOM 0 HB THR A 9 -10.004 -9.498 11.381 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.936 -8.471 9.591 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.651 -7.564 11.691 1.00 19.70 H new ATOM 0 HG22 THR A 9 -10.451 -7.570 13.005 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.285 -6.424 11.654 1.00 19.70 H new ATOM 161 N GLY A 10 -6.413 -8.966 10.407 1.00 19.43 N ATOM 162 CA GLY A 10 -5.369 -9.914 10.195 1.00 18.74 C ATOM 163 C GLY A 10 -5.352 -10.571 8.893 1.00 17.62 C ATOM 164 O GLY A 10 -4.602 -11.472 8.636 1.00 19.74 O ATOM 0 H GLY A 10 -6.254 -8.043 10.003 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.413 -9.409 10.337 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.441 -10.682 10.965 1.00 18.74 H new ATOM 168 N LYS A 11 -6.241 -10.167 7.948 1.00 13.56 N ATOM 169 CA LYS A 11 -6.041 -10.545 6.561 1.00 11.91 C ATOM 170 C LYS A 11 -4.789 -9.995 5.982 1.00 10.18 C ATOM 171 O LYS A 11 -4.504 -8.838 6.127 1.00 9.10 O ATOM 172 CB LYS A 11 -7.192 -10.143 5.623 1.00 13.43 C ATOM 173 CG LYS A 11 -7.043 -10.645 4.141 1.00 16.69 C ATOM 174 CD LYS A 11 -8.232 -10.291 3.180 1.00 17.92 C ATOM 175 CE LYS A 11 -8.060 -11.027 1.860 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.271 -10.743 1.073 1.00 21.93 N ATOM 0 H LYS A 11 -7.069 -9.600 8.130 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.989 -11.632 6.615 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -8.126 -10.530 6.030 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.274 -9.056 5.617 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.127 -10.226 3.725 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.921 -11.728 4.154 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -9.180 -10.568 3.641 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.264 -9.215 3.006 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -7.167 -10.686 1.337 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.944 -12.098 2.023 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.004 -10.522 0.093 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.894 -11.575 1.082 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.772 -9.931 1.487 1.00 21.93 H new ATOM 190 N THR A 12 -3.979 -10.906 5.391 1.00 9.63 N ATOM 191 CA THR A 12 -2.669 -10.601 4.879 1.00 9.85 C ATOM 192 C THR A 12 -2.746 -10.906 3.395 1.00 11.66 C ATOM 193 O THR A 12 -3.054 -12.009 2.972 1.00 12.33 O ATOM 194 CB THR A 12 -1.590 -11.455 5.473 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.445 -11.214 6.855 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.266 -11.091 4.780 1.00 9.63 C ATOM 0 H THR A 12 -4.244 -11.883 5.266 1.00 9.63 H new ATOM 0 HA THR A 12 -2.416 -9.568 5.117 1.00 9.85 H new ATOM 0 HB THR A 12 -1.851 -12.504 5.330 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.735 -11.787 7.214 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.540 -11.698 5.193 1.00 9.63 H new ATOM 0 HG22 THR A 12 -0.351 -11.280 3.710 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.047 -10.036 4.945 1.00 9.63 H new ATOM 204 N ILE A 13 -2.272 -9.977 2.505 1.00 10.42 N ATOM 205 CA ILE A 13 -2.017 -10.364 1.135 1.00 11.84 C ATOM 206 C ILE A 13 -0.525 -9.930 0.987 1.00 10.55 C ATOM 207 O ILE A 13 -0.055 -9.030 1.613 1.00 11.92 O ATOM 208 CB ILE A 13 -2.943 -9.626 0.137 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.820 -8.109 0.204 1.00 14.87 C ATOM 210 CG2 ILE A 13 -4.359 -10.109 0.332 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.467 -7.364 -1.028 1.00 16.46 C ATOM 0 H ILE A 13 -2.075 -9.001 2.727 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.204 -11.416 0.921 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.621 -9.872 -0.875 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.293 -7.755 1.120 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.765 -7.841 0.266 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -5.018 -9.594 -0.367 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -4.405 -11.183 0.151 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.678 -9.899 1.353 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.340 -6.288 -0.910 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.978 -7.688 -1.947 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.530 -7.601 -1.079 1.00 16.46 H new ATOM 223 N THR A 14 0.233 -10.712 0.158 1.00 9.39 N ATOM 224 CA THR A 14 1.673 -10.532 -0.057 1.00 9.63 C ATOM 225 C THR A 14 1.774 -10.021 -1.461 1.00 11.20 C ATOM 226 O THR A 14 1.057 -10.458 -2.377 1.00 11.63 O ATOM 227 CB THR A 14 2.458 -11.816 0.048 1.00 10.38 C ATOM 228 OG1 THR A 14 2.068 -12.527 1.251 1.00 16.30 O ATOM 229 CG2 THR A 14 3.936 -11.506 0.203 1.00 11.66 C ATOM 0 H THR A 14 -0.159 -11.487 -0.377 1.00 9.39 H new ATOM 0 HA THR A 14 2.087 -9.867 0.701 1.00 9.63 H new ATOM 0 HB THR A 14 2.266 -12.405 -0.849 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.647 -12.256 1.994 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.497 -12.437 0.278 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.282 -10.943 -0.663 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.091 -10.915 1.106 1.00 11.66 H new ATOM 237 N LEU A 15 2.838 -9.140 -1.703 1.00 8.29 N ATOM 238 CA LEU A 15 3.059 -8.657 -3.073 1.00 9.03 C ATOM 239 C LEU A 15 4.518 -8.683 -3.357 1.00 8.59 C ATOM 240 O LEU A 15 5.293 -8.742 -2.431 1.00 7.79 O ATOM 241 CB LEU A 15 2.708 -7.166 -3.248 1.00 11.08 C ATOM 242 CG LEU A 15 1.232 -6.868 -3.012 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.979 -5.356 -3.188 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.315 -7.718 -3.907 1.00 15.27 C ATOM 0 H LEU A 15 3.490 -8.793 -1.000 1.00 8.29 H new ATOM 0 HA LEU A 15 2.444 -9.290 -3.713 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.307 -6.574 -2.556 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.980 -6.851 -4.255 1.00 11.08 H new ATOM 0 HG LEU A 15 0.982 -7.147 -1.988 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.076 -5.142 -3.019 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.581 -4.800 -2.469 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.253 -5.057 -4.200 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.726 -7.469 -3.702 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.537 -7.513 -4.954 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.483 -8.775 -3.700 1.00 15.27 H new ATOM 256 N GLU A 16 5.011 -8.656 -4.601 1.00 11.04 N ATOM 257 CA GLU A 16 6.374 -8.660 -5.039 1.00 11.50 C ATOM 258 C GLU A 16 6.575 -7.231 -5.709 1.00 10.13 C ATOM 259 O GLU A 16 5.911 -6.816 -6.601 1.00 9.83 O ATOM 260 CB GLU A 16 6.599 -9.709 -6.226 1.00 17.22 C ATOM 261 CG GLU A 16 7.982 -9.616 -6.918 1.00 23.33 C ATOM 262 CD GLU A 16 9.241 -9.882 -6.013 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.387 -11.060 -5.637 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.152 -8.990 -5.940 1.00 28.90 O ATOM 0 H GLU A 16 4.376 -8.628 -5.399 1.00 11.04 H new ATOM 0 HA GLU A 16 7.038 -8.898 -4.208 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.473 -10.717 -5.831 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.822 -9.561 -6.976 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.999 -10.328 -7.743 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.079 -8.621 -7.353 1.00 23.33 H new ATOM 271 N VAL A 17 7.435 -6.417 -5.098 1.00 8.99 N ATOM 272 CA VAL A 17 7.613 -5.042 -5.344 1.00 8.85 C ATOM 273 C VAL A 17 9.057 -4.717 -5.395 1.00 8.04 C ATOM 274 O VAL A 17 9.816 -5.480 -4.787 1.00 8.99 O ATOM 275 CB VAL A 17 6.836 -4.151 -4.402 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.257 -4.270 -4.502 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.313 -4.401 -2.949 1.00 10.54 C ATOM 0 H VAL A 17 8.059 -6.758 -4.367 1.00 8.99 H new ATOM 0 HA VAL A 17 7.184 -4.827 -6.323 1.00 8.85 H new ATOM 0 HB VAL A 17 7.051 -3.129 -4.713 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.795 -3.591 -3.786 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.936 -4.008 -5.510 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.954 -5.293 -4.279 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.754 -3.760 -2.267 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.144 -5.445 -2.685 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.376 -4.174 -2.871 1.00 10.54 H new ATOM 287 N GLU A 18 9.514 -3.664 -6.066 1.00 7.29 N ATOM 288 CA GLU A 18 10.840 -3.082 -5.891 1.00 7.08 C ATOM 289 C GLU A 18 10.744 -1.841 -5.006 1.00 6.45 C ATOM 290 O GLU A 18 9.640 -1.276 -5.000 1.00 5.28 O ATOM 291 CB GLU A 18 11.532 -2.728 -7.241 1.00 10.28 C ATOM 292 CG GLU A 18 12.091 -3.959 -8.041 1.00 12.65 C ATOM 293 CD GLU A 18 13.048 -4.881 -7.316 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.101 -4.434 -6.797 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.783 -6.110 -7.214 1.00 18.17 O ATOM 0 H GLU A 18 8.955 -3.178 -6.767 1.00 7.29 H new ATOM 0 HA GLU A 18 11.462 -3.837 -5.411 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.817 -2.198 -7.871 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.353 -2.039 -7.042 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.243 -4.553 -8.382 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.595 -3.582 -8.931 1.00 12.65 H new ATOM 302 N PRO A 19 11.676 -1.369 -4.184 1.00 7.24 N ATOM 303 CA PRO A 19 11.461 -0.216 -3.337 1.00 7.07 C ATOM 304 C PRO A 19 11.279 1.020 -4.154 1.00 6.65 C ATOM 305 O PRO A 19 10.886 2.092 -3.683 1.00 6.37 O ATOM 306 CB PRO A 19 12.753 -0.123 -2.538 1.00 7.61 C ATOM 307 CG PRO A 19 13.850 -0.873 -3.299 1.00 8.16 C ATOM 308 CD PRO A 19 12.958 -1.980 -3.941 1.00 7.49 C ATOM 0 HA PRO A 19 10.569 -0.310 -2.718 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.036 0.920 -2.396 1.00 7.61 H new ATOM 0 HB3 PRO A 19 12.617 -0.555 -1.546 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.354 -0.252 -4.039 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.621 -1.277 -2.643 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.398 -2.345 -4.869 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.861 -2.837 -3.275 1.00 7.49 H new ATOM 316 N SER A 20 11.651 0.962 -5.443 1.00 6.80 N ATOM 317 CA SER A 20 11.539 2.068 -6.318 1.00 6.28 C ATOM 318 C SER A 20 10.112 2.222 -6.926 1.00 8.45 C ATOM 319 O SER A 20 9.768 3.222 -7.528 1.00 7.26 O ATOM 320 CB SER A 20 12.461 2.033 -7.548 1.00 8.57 C ATOM 321 OG SER A 20 12.533 0.740 -8.165 1.00 11.13 O ATOM 0 H SER A 20 12.037 0.125 -5.880 1.00 6.80 H new ATOM 0 HA SER A 20 11.814 2.888 -5.654 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.106 2.758 -8.280 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.463 2.343 -7.252 1.00 8.57 H new ATOM 0 HG SER A 20 13.131 0.780 -8.940 1.00 11.13 H new ATOM 327 N ASP A 21 9.234 1.232 -6.852 1.00 7.50 N ATOM 328 CA ASP A 21 7.871 1.395 -7.245 1.00 7.70 C ATOM 329 C ASP A 21 7.038 2.486 -6.501 1.00 7.08 C ATOM 330 O ASP A 21 7.279 2.664 -5.331 1.00 8.11 O ATOM 331 CB ASP A 21 7.191 0.003 -7.186 1.00 11.00 C ATOM 332 CG ASP A 21 7.778 -0.812 -8.346 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.724 -0.358 -9.523 1.00 14.36 O ATOM 334 OD2 ASP A 21 8.496 -1.797 -8.064 1.00 18.03 O ATOM 0 H ASP A 21 9.463 0.297 -6.515 1.00 7.50 H new ATOM 0 HA ASP A 21 7.894 1.797 -8.258 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.385 -0.485 -6.231 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.109 0.094 -7.283 1.00 11.00 H new ATOM 339 N THR A 22 6.136 3.234 -7.149 1.00 5.37 N ATOM 340 CA THR A 22 5.388 4.263 -6.429 1.00 6.01 C ATOM 341 C THR A 22 4.166 3.720 -5.792 1.00 8.01 C ATOM 342 O THR A 22 3.663 2.652 -6.279 1.00 8.11 O ATOM 343 CB THR A 22 4.936 5.470 -7.224 1.00 8.92 C ATOM 344 OG1 THR A 22 4.060 5.177 -8.385 1.00 10.22 O ATOM 345 CG2 THR A 22 6.136 6.286 -7.732 1.00 9.65 C ATOM 0 H THR A 22 5.913 3.149 -8.141 1.00 5.37 H new ATOM 0 HA THR A 22 6.136 4.598 -5.710 1.00 6.01 H new ATOM 0 HB THR A 22 4.340 6.035 -6.507 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.820 6.015 -8.833 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.778 7.145 -8.299 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.726 6.631 -6.883 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.756 5.660 -8.374 1.00 9.65 H new ATOM 353 N ILE A 23 3.616 4.375 -4.751 1.00 8.32 N ATOM 354 CA ILE A 23 2.434 4.000 -3.939 1.00 9.92 C ATOM 355 C ILE A 23 1.160 3.824 -4.789 1.00 10.01 C ATOM 356 O ILE A 23 0.409 2.858 -4.639 1.00 8.71 O ATOM 357 CB ILE A 23 2.269 5.041 -2.862 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.510 5.146 -1.916 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.940 4.785 -2.089 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.082 3.839 -1.227 1.00 12.30 C ATOM 0 H ILE A 23 4.018 5.254 -4.427 1.00 8.32 H new ATOM 0 HA ILE A 23 2.597 3.022 -3.486 1.00 9.92 H new ATOM 0 HB ILE A 23 2.207 6.018 -3.341 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.321 5.593 -2.491 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.256 5.849 -1.122 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.821 5.538 -1.310 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.100 4.843 -2.781 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.968 3.795 -1.635 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.940 4.100 -0.608 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.309 3.388 -0.604 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.390 3.129 -1.994 1.00 12.30 H new ATOM 372 N GLU A 24 0.981 4.708 -5.839 1.00 9.54 N ATOM 373 CA GLU A 24 -0.047 4.512 -6.878 1.00 11.81 C ATOM 374 C GLU A 24 0.063 3.193 -7.635 1.00 11.14 C ATOM 375 O GLU A 24 -0.916 2.493 -7.919 1.00 10.62 O ATOM 376 CB GLU A 24 0.074 5.725 -7.800 1.00 19.24 C ATOM 377 CG GLU A 24 -0.900 5.734 -9.043 1.00 27.76 C ATOM 378 CD GLU A 24 -0.815 7.062 -9.926 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.162 8.116 -9.331 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.425 6.983 -11.092 1.00 34.80 O ATOM 0 H GLU A 24 1.543 5.550 -5.967 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.033 4.441 -6.419 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.106 6.625 -7.213 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.100 5.782 -8.164 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.674 4.875 -9.675 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.924 5.610 -8.690 1.00 27.76 H new ATOM 387 N ASN A 25 1.315 2.776 -7.995 1.00 9.43 N ATOM 388 CA ASN A 25 1.629 1.513 -8.668 1.00 10.96 C ATOM 389 C ASN A 25 1.383 0.340 -7.693 1.00 9.68 C ATOM 390 O ASN A 25 0.928 -0.745 -8.135 1.00 9.33 O ATOM 391 CB ASN A 25 3.070 1.405 -9.261 1.00 16.78 C ATOM 392 CG ASN A 25 3.161 0.367 -10.362 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.665 0.561 -11.429 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.879 -0.751 -10.078 1.00 24.70 N ATOM 0 H ASN A 25 2.145 3.339 -7.811 1.00 9.43 H new ATOM 0 HA ASN A 25 0.963 1.472 -9.530 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.373 2.376 -9.654 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.770 1.150 -8.465 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.012 -1.467 -10.792 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.285 -0.874 -9.151 1.00 24.70 H new ATOM 401 N VAL A 26 1.683 0.485 -6.382 1.00 6.52 N ATOM 402 CA VAL A 26 1.378 -0.448 -5.284 1.00 5.53 C ATOM 403 C VAL A 26 -0.136 -0.701 -5.096 1.00 4.42 C ATOM 404 O VAL A 26 -0.651 -1.794 -5.002 1.00 3.40 O ATOM 405 CB VAL A 26 2.021 -0.092 -4.007 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.672 -1.132 -2.943 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.561 -0.090 -4.201 1.00 8.12 C ATOM 0 H VAL A 26 2.177 1.312 -6.046 1.00 6.52 H new ATOM 0 HA VAL A 26 1.822 -1.390 -5.605 1.00 5.53 H new ATOM 0 HB VAL A 26 1.671 0.891 -3.692 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.150 -0.863 -2.001 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.591 -1.163 -2.805 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.025 -2.112 -3.263 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.046 0.173 -3.261 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.890 -1.081 -4.514 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.831 0.640 -4.964 1.00 8.12 H new ATOM 417 N LYS A 27 -0.962 0.390 -5.130 1.00 2.64 N ATOM 418 CA LYS A 27 -2.410 0.306 -5.185 1.00 4.14 C ATOM 419 C LYS A 27 -2.934 -0.472 -6.407 1.00 5.58 C ATOM 420 O LYS A 27 -3.814 -1.340 -6.313 1.00 4.11 O ATOM 421 CB LYS A 27 -3.078 1.722 -5.095 1.00 3.97 C ATOM 422 CG LYS A 27 -2.820 2.403 -3.747 1.00 7.45 C ATOM 423 CD LYS A 27 -3.647 3.726 -3.479 1.00 9.02 C ATOM 424 CE LYS A 27 -3.337 4.730 -4.573 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.132 5.970 -4.401 1.00 15.47 N ATOM 0 H LYS A 27 -0.613 1.348 -5.119 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.702 -0.268 -4.306 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.696 2.353 -5.897 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.152 1.625 -5.250 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.041 1.691 -2.952 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.758 2.639 -3.677 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.714 3.506 -3.461 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.390 4.140 -2.504 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.274 4.971 -4.559 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.551 4.289 -5.547 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.386 6.352 -5.334 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.999 5.756 -3.867 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.570 6.673 -3.880 1.00 15.47 H new ATOM 439 N ALA A 28 -2.416 -0.146 -7.594 1.00 6.61 N ATOM 440 CA ALA A 28 -2.674 -0.830 -8.893 1.00 7.74 C ATOM 441 C ALA A 28 -2.480 -2.355 -8.856 1.00 9.17 C ATOM 442 O ALA A 28 -3.356 -3.159 -9.184 1.00 11.45 O ATOM 443 CB ALA A 28 -1.907 -0.171 -10.074 1.00 7.68 C ATOM 0 H ALA A 28 -1.772 0.638 -7.695 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.739 -0.684 -9.076 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.130 -0.707 -10.997 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.218 0.869 -10.175 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.835 -0.212 -9.880 1.00 7.68 H new ATOM 449 N LYS A 29 -1.401 -2.771 -8.256 1.00 8.96 N ATOM 450 CA LYS A 29 -1.119 -4.151 -7.918 1.00 7.90 C ATOM 451 C LYS A 29 -2.124 -4.763 -6.972 1.00 6.92 C ATOM 452 O LYS A 29 -2.526 -5.914 -7.193 1.00 6.87 O ATOM 453 CB LYS A 29 0.351 -4.235 -7.453 1.00 10.28 C ATOM 454 CG LYS A 29 0.951 -5.619 -7.698 1.00 14.94 C ATOM 455 CD LYS A 29 2.474 -5.701 -7.461 1.00 19.69 C ATOM 456 CE LYS A 29 3.341 -5.156 -8.555 1.00 22.63 C ATOM 457 NZ LYS A 29 3.283 -6.126 -9.680 1.00 24.98 N ATOM 0 H LYS A 29 -0.656 -2.134 -7.973 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.236 -4.778 -8.802 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.941 -3.486 -7.980 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.409 -3.997 -6.391 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.454 -6.338 -7.047 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.738 -5.918 -8.724 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.707 -5.167 -6.540 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.741 -6.746 -7.300 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.989 -4.175 -8.873 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.366 -5.029 -8.208 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.235 -6.250 -10.081 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 2.932 -7.041 -9.332 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.642 -5.767 -10.416 1.00 24.98 H new ATOM 471 N ILE A 30 -2.567 -4.109 -5.844 1.00 4.57 N ATOM 472 CA ILE A 30 -3.637 -4.538 -5.006 1.00 5.58 C ATOM 473 C ILE A 30 -4.988 -4.684 -5.729 1.00 7.26 C ATOM 474 O ILE A 30 -5.614 -5.733 -5.692 1.00 9.46 O ATOM 475 CB ILE A 30 -3.810 -3.690 -3.728 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.509 -3.773 -2.881 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.968 -4.127 -2.814 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.456 -2.737 -1.734 1.00 2.00 C ATOM 0 H ILE A 30 -2.141 -3.240 -5.522 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.321 -5.536 -4.703 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.033 -2.683 -4.081 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.421 -4.775 -2.460 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.649 -3.625 -3.534 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.011 -3.473 -1.943 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.908 -4.063 -3.362 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.807 -5.155 -2.489 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.522 -2.851 -1.184 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.512 -1.731 -2.150 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.297 -2.898 -1.059 1.00 2.00 H new ATOM 490 N GLN A 31 -5.479 -3.734 -6.493 1.00 7.06 N ATOM 491 CA GLN A 31 -6.704 -3.828 -7.255 1.00 8.67 C ATOM 492 C GLN A 31 -6.801 -4.951 -8.288 1.00 10.90 C ATOM 493 O GLN A 31 -7.801 -5.659 -8.433 1.00 9.63 O ATOM 494 CB GLN A 31 -6.966 -2.487 -8.059 1.00 9.12 C ATOM 495 CG GLN A 31 -8.291 -2.374 -8.875 1.00 10.76 C ATOM 496 CD GLN A 31 -8.201 -1.106 -9.777 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.131 -0.721 -10.215 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.371 -0.429 -10.041 1.00 14.76 N ATOM 0 H GLN A 31 -5.014 -2.833 -6.605 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.438 -4.037 -6.477 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.939 -1.660 -7.349 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.135 -2.342 -8.749 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.439 -3.265 -9.485 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.146 -2.303 -8.203 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.255 -0.771 -9.663 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.354 0.414 -10.614 1.00 14.76 H new ATOM 507 N ASP A 32 -5.705 -5.147 -9.040 1.00 10.93 N ATOM 508 CA ASP A 32 -5.525 -6.303 -9.889 1.00 14.01 C ATOM 509 C ASP A 32 -5.551 -7.613 -9.111 1.00 14.04 C ATOM 510 O ASP A 32 -6.177 -8.617 -9.417 1.00 13.39 O ATOM 511 CB ASP A 32 -4.186 -6.107 -10.536 1.00 18.01 C ATOM 512 CG ASP A 32 -3.804 -7.213 -11.504 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.258 -7.204 -12.696 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.096 -8.142 -11.071 1.00 26.29 O ATOM 0 H ASP A 32 -4.922 -4.494 -9.065 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.338 -6.380 -10.611 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.186 -5.156 -11.068 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.424 -6.038 -9.759 1.00 18.01 H new ATOM 519 N LYS A 33 -4.988 -7.653 -7.932 1.00 14.22 N ATOM 520 CA LYS A 33 -5.076 -8.849 -7.090 1.00 14.00 C ATOM 521 C LYS A 33 -6.400 -9.163 -6.457 1.00 12.37 C ATOM 522 O LYS A 33 -6.886 -10.312 -6.547 1.00 12.17 O ATOM 523 CB LYS A 33 -3.994 -8.705 -5.933 1.00 18.62 C ATOM 524 CG LYS A 33 -3.694 -10.130 -5.237 1.00 24.00 C ATOM 525 CD LYS A 33 -2.478 -9.959 -4.383 1.00 27.61 C ATOM 526 CE LYS A 33 -1.979 -11.246 -3.684 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.552 -12.364 -4.722 1.00 30.06 N ATOM 0 H LYS A 33 -4.462 -6.881 -7.521 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.907 -9.680 -7.775 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.071 -8.296 -6.343 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.351 -7.999 -5.183 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.544 -10.451 -4.635 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.529 -10.899 -5.991 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.672 -9.564 -5.001 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.691 -9.210 -3.621 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.131 -11.004 -3.044 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -2.766 -11.635 -3.037 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.225 -13.207 -4.209 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.367 -12.615 -5.317 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.783 -12.004 -5.323 1.00 30.06 H new ATOM 541 N GLU A 34 -6.977 -8.175 -5.718 1.00 10.11 N ATOM 542 CA GLU A 34 -8.092 -8.464 -4.777 1.00 10.07 C ATOM 543 C GLU A 34 -9.388 -7.675 -5.186 1.00 9.32 C ATOM 544 O GLU A 34 -10.369 -7.865 -4.499 1.00 11.61 O ATOM 545 CB GLU A 34 -7.647 -7.982 -3.366 1.00 14.77 C ATOM 546 CG GLU A 34 -6.617 -8.951 -2.716 1.00 18.75 C ATOM 547 CD GLU A 34 -7.332 -10.227 -2.269 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.384 -10.116 -1.579 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.990 -11.372 -2.587 1.00 25.19 O ATOM 0 H GLU A 34 -6.696 -7.195 -5.754 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.316 -9.531 -4.792 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.209 -6.987 -3.444 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.521 -7.896 -2.720 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.829 -9.193 -3.429 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.138 -8.471 -1.862 1.00 18.75 H new ATOM 556 N GLY A 35 -9.386 -6.848 -6.288 1.00 7.22 N ATOM 557 CA GLY A 35 -10.623 -6.210 -6.754 1.00 6.29 C ATOM 558 C GLY A 35 -11.031 -5.057 -5.911 1.00 6.93 C ATOM 559 O GLY A 35 -12.226 -4.917 -5.597 1.00 7.41 O ATOM 0 H GLY A 35 -8.557 -6.627 -6.840 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.487 -5.872 -7.781 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.425 -6.948 -6.764 1.00 6.29 H new ATOM 563 N ILE A 36 -10.085 -4.198 -5.374 1.00 5.86 N ATOM 564 CA ILE A 36 -10.352 -3.145 -4.415 1.00 6.07 C ATOM 565 C ILE A 36 -10.104 -1.737 -5.063 1.00 6.36 C ATOM 566 O ILE A 36 -9.001 -1.404 -5.437 1.00 6.18 O ATOM 567 CB ILE A 36 -9.417 -3.114 -3.194 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.528 -4.487 -2.474 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.736 -1.990 -2.220 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.713 -4.631 -1.142 1.00 9.49 C ATOM 0 H ILE A 36 -9.099 -4.254 -5.629 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.378 -3.351 -4.112 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.403 -2.926 -3.547 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.579 -4.677 -2.256 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.200 -5.265 -3.164 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.039 -2.026 -1.382 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.643 -1.030 -2.729 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.755 -2.107 -1.850 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.865 -5.628 -0.728 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.653 -4.481 -1.346 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.054 -3.884 -0.425 1.00 9.49 H new ATOM 582 N PRO A 37 -11.118 -0.954 -5.394 1.00 8.65 N ATOM 583 CA PRO A 37 -10.967 0.451 -5.930 1.00 9.18 C ATOM 584 C PRO A 37 -9.831 1.293 -5.277 1.00 9.85 C ATOM 585 O PRO A 37 -9.875 1.460 -4.050 1.00 8.51 O ATOM 586 CB PRO A 37 -12.341 1.068 -5.606 1.00 11.42 C ATOM 587 CG PRO A 37 -13.315 -0.104 -5.888 1.00 9.27 C ATOM 588 CD PRO A 37 -12.551 -1.322 -5.332 1.00 8.33 C ATOM 0 HA PRO A 37 -10.686 0.439 -6.983 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.400 1.404 -4.571 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -12.555 1.933 -6.234 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -14.273 0.036 -5.387 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.524 -0.209 -6.953 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.855 -1.542 -4.309 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.753 -2.215 -5.924 1.00 8.33 H new ATOM 596 N PRO A 38 -8.814 1.842 -5.908 1.00 8.71 N ATOM 597 CA PRO A 38 -7.831 2.649 -5.220 1.00 9.08 C ATOM 598 C PRO A 38 -8.376 3.845 -4.478 1.00 9.28 C ATOM 599 O PRO A 38 -7.759 4.257 -3.495 1.00 6.50 O ATOM 600 CB PRO A 38 -6.809 2.977 -6.280 1.00 10.31 C ATOM 601 CG PRO A 38 -6.807 1.776 -7.182 1.00 10.81 C ATOM 602 CD PRO A 38 -8.279 1.422 -7.197 1.00 12.00 C ATOM 0 HA PRO A 38 -7.390 2.101 -4.387 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -7.078 3.882 -6.824 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.825 3.148 -5.844 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.429 2.009 -8.177 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.192 0.966 -6.789 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.792 1.928 -8.015 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.420 0.352 -7.346 1.00 12.00 H new ATOM 610 N ASP A 39 -9.493 4.466 -4.872 1.00 11.20 N ATOM 611 CA ASP A 39 -10.138 5.429 -4.052 1.00 14.96 C ATOM 612 C ASP A 39 -10.693 4.955 -2.666 1.00 13.99 C ATOM 613 O ASP A 39 -11.045 5.763 -1.790 1.00 13.75 O ATOM 614 CB ASP A 39 -11.334 5.943 -4.884 1.00 24.16 C ATOM 615 CG ASP A 39 -10.923 6.866 -6.012 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.647 8.088 -5.748 1.00 35.55 O ATOM 617 OD2 ASP A 39 -10.861 6.377 -7.150 1.00 34.22 O ATOM 0 H ASP A 39 -9.953 4.299 -5.767 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.375 6.162 -3.790 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.873 5.091 -5.298 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -12.026 6.469 -4.227 1.00 24.16 H new ATOM 622 N GLN A 40 -10.704 3.614 -2.393 1.00 11.60 N ATOM 623 CA GLN A 40 -11.035 3.005 -1.138 1.00 10.76 C ATOM 624 C GLN A 40 -9.808 2.493 -0.331 1.00 8.01 C ATOM 625 O GLN A 40 -9.937 1.778 0.632 1.00 8.96 O ATOM 626 CB GLN A 40 -12.113 1.914 -1.405 1.00 11.14 C ATOM 627 CG GLN A 40 -13.362 2.580 -1.975 1.00 14.85 C ATOM 628 CD GLN A 40 -14.585 1.616 -1.873 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.958 1.299 -0.738 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.192 1.311 -3.012 1.00 18.16 N ATOM 0 H GLN A 40 -10.464 2.923 -3.104 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.446 3.766 -0.474 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.731 1.170 -2.104 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.355 1.389 -0.481 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.571 3.502 -1.432 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.193 2.855 -3.016 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.798 1.624 -3.899 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -16.053 0.764 -3.001 1.00 18.16 H new ATOM 639 N GLN A 41 -8.552 2.690 -0.813 1.00 6.52 N ATOM 640 CA GLN A 41 -7.345 2.193 -0.277 1.00 3.87 C ATOM 641 C GLN A 41 -6.549 3.257 0.354 1.00 4.79 C ATOM 642 O GLN A 41 -6.333 4.313 -0.224 1.00 6.34 O ATOM 643 CB GLN A 41 -6.437 1.482 -1.293 1.00 4.20 C ATOM 644 CG GLN A 41 -7.026 0.116 -1.840 1.00 3.20 C ATOM 645 CD GLN A 41 -6.019 -0.380 -2.862 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.858 -0.589 -2.634 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.486 -0.845 -4.086 1.00 7.13 N ATOM 0 H GLN A 41 -8.392 3.249 -1.651 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.677 1.458 0.457 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.257 2.151 -2.135 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.470 1.288 -0.828 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.155 -0.606 -1.034 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.005 0.265 -2.295 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.462 -0.703 -4.347 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.853 -1.328 -4.723 1.00 7.13 H new ATOM 656 N ARG A 42 -6.197 3.037 1.614 1.00 5.73 N ATOM 657 CA ARG A 42 -5.369 3.919 2.384 1.00 6.97 C ATOM 658 C ARG A 42 -4.219 3.093 3.041 1.00 7.15 C ATOM 659 O ARG A 42 -4.438 2.231 3.853 1.00 7.33 O ATOM 660 CB ARG A 42 -6.194 4.566 3.493 1.00 13.23 C ATOM 661 CG ARG A 42 -5.474 5.586 4.416 1.00 21.27 C ATOM 662 CD ARG A 42 -6.272 6.106 5.616 1.00 26.14 C ATOM 663 NE ARG A 42 -7.395 6.978 5.119 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.526 7.320 5.766 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.736 7.149 7.013 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.451 7.912 5.010 1.00 36.39 N ATOM 0 H ARG A 42 -6.496 2.211 2.133 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.961 4.690 1.730 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.043 5.070 3.031 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.598 3.771 4.120 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.561 5.123 4.789 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -5.173 6.441 3.810 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.671 5.271 6.193 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.622 6.673 6.283 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.286 7.356 4.178 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.016 6.724 7.598 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.623 7.437 7.425 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.272 8.074 4.019 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.337 8.203 5.423 1.00 36.39 H new ATOM 680 N LEU A 43 -3.006 3.391 2.664 1.00 4.65 N ATOM 681 CA LEU A 43 -1.865 2.645 3.029 1.00 3.51 C ATOM 682 C LEU A 43 -1.059 3.390 4.109 1.00 5.56 C ATOM 683 O LEU A 43 -0.749 4.578 3.930 1.00 4.19 O ATOM 684 CB LEU A 43 -1.048 2.425 1.773 1.00 3.74 C ATOM 685 CG LEU A 43 -1.538 1.377 0.752 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.645 1.470 -0.524 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.417 -0.063 1.350 1.00 6.41 C ATOM 0 H LEU A 43 -2.792 4.193 2.072 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.147 1.683 3.458 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.971 3.381 1.256 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.040 2.145 2.078 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.582 1.573 0.508 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.979 0.735 -1.256 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.724 2.470 -0.951 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.393 1.271 -0.257 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.766 -0.791 0.618 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.375 -0.268 1.597 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.025 -0.135 2.252 1.00 6.41 H new ATOM 699 N ILE A 44 -0.843 2.804 5.272 1.00 4.58 N ATOM 700 CA ILE A 44 -0.250 3.369 6.427 1.00 5.55 C ATOM 701 C ILE A 44 1.019 2.588 6.829 1.00 5.46 C ATOM 702 O ILE A 44 0.972 1.389 7.095 1.00 6.04 O ATOM 703 CB ILE A 44 -1.191 3.349 7.662 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.627 3.992 7.298 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.492 3.920 8.830 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.566 5.477 6.852 1.00 13.90 C ATOM 0 H ILE A 44 -1.110 1.832 5.425 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.022 4.400 6.157 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.435 2.328 7.956 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.084 3.404 6.502 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.279 3.912 8.168 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.156 3.904 9.695 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.399 3.330 9.045 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.202 4.948 8.614 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.572 5.831 6.626 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.140 6.080 7.654 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.943 5.564 5.962 1.00 13.90 H new ATOM 718 N PHE A 45 2.177 3.280 6.930 1.00 6.75 N ATOM 719 CA PHE A 45 3.379 2.654 7.539 1.00 4.70 C ATOM 720 C PHE A 45 4.092 3.748 8.283 1.00 6.34 C ATOM 721 O PHE A 45 4.039 4.930 7.894 1.00 5.45 O ATOM 722 CB PHE A 45 4.179 2.035 6.351 1.00 5.51 C ATOM 723 CG PHE A 45 5.494 1.503 6.855 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.669 0.224 7.542 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.638 2.300 6.563 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.976 -0.198 7.899 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.897 1.934 7.023 1.00 6.64 C ATOM 728 CZ PHE A 45 8.035 0.650 7.734 1.00 6.84 C ATOM 0 H PHE A 45 2.307 4.240 6.610 1.00 6.75 H new ATOM 0 HA PHE A 45 3.190 1.856 8.257 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.603 1.233 5.889 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.350 2.788 5.582 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.813 -0.392 7.775 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.525 3.200 5.977 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.134 -1.188 8.301 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.752 2.574 6.864 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.998 0.372 8.135 1.00 6.84 H new ATOM 738 N ALA A 46 4.772 3.369 9.414 1.00 6.53 N ATOM 739 CA ALA A 46 5.616 4.220 10.254 1.00 7.15 C ATOM 740 C ALA A 46 4.856 5.352 10.954 1.00 9.00 C ATOM 741 O ALA A 46 5.443 6.323 11.474 1.00 11.15 O ATOM 742 CB ALA A 46 6.755 4.962 9.479 1.00 8.99 C ATOM 0 H ALA A 46 4.729 2.411 9.762 1.00 6.53 H new ATOM 0 HA ALA A 46 6.014 3.492 10.961 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.332 5.570 10.175 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.410 4.230 9.007 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.317 5.603 8.714 1.00 8.99 H new ATOM 748 N GLY A 47 3.517 5.236 11.118 1.00 9.35 N ATOM 749 CA GLY A 47 2.560 6.250 11.542 1.00 11.68 C ATOM 750 C GLY A 47 2.116 7.265 10.448 1.00 11.14 C ATOM 751 O GLY A 47 1.201 8.060 10.694 1.00 13.93 O ATOM 0 H GLY A 47 3.052 4.346 10.937 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.672 5.747 11.925 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.994 6.807 12.372 1.00 11.68 H new ATOM 755 N LYS A 48 2.729 7.167 9.259 1.00 10.47 N ATOM 756 CA LYS A 48 2.578 8.033 8.126 1.00 8.82 C ATOM 757 C LYS A 48 1.624 7.485 7.073 1.00 7.68 C ATOM 758 O LYS A 48 1.578 6.296 6.741 1.00 6.47 O ATOM 759 CB LYS A 48 3.929 8.270 7.472 1.00 9.74 C ATOM 760 CG LYS A 48 5.108 8.566 8.403 1.00 14.14 C ATOM 761 CD LYS A 48 6.466 8.538 7.698 1.00 16.32 C ATOM 762 CE LYS A 48 7.579 8.852 8.624 1.00 20.04 C ATOM 763 NZ LYS A 48 8.762 8.302 7.998 1.00 23.92 N ATOM 0 H LYS A 48 3.391 6.414 9.071 1.00 10.47 H new ATOM 0 HA LYS A 48 2.155 8.962 8.508 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.178 7.390 6.879 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.828 9.104 6.777 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.964 9.546 8.858 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.113 7.836 9.213 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.626 7.553 7.259 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.463 9.256 6.878 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.676 9.928 8.772 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.411 8.409 9.606 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.591 8.487 8.599 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.645 7.276 7.876 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.902 8.747 7.069 1.00 23.92 H new ATOM 777 N GLN A 49 0.873 8.325 6.378 1.00 8.89 N ATOM 778 CA GLN A 49 0.015 7.885 5.274 1.00 7.18 C ATOM 779 C GLN A 49 0.743 8.034 3.957 1.00 8.23 C ATOM 780 O GLN A 49 1.394 9.044 3.735 1.00 9.70 O ATOM 781 CB GLN A 49 -1.327 8.601 5.367 1.00 11.67 C ATOM 782 CG GLN A 49 -2.426 8.029 4.461 1.00 15.82 C ATOM 783 CD GLN A 49 -3.634 9.003 4.437 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.203 9.359 5.489 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.036 9.362 3.182 1.00 20.67 N ATOM 0 H GLN A 49 0.837 9.328 6.557 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.213 6.821 5.343 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.672 8.564 6.400 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.180 9.652 5.117 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.041 7.884 3.451 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.741 7.051 4.825 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.520 9.031 2.367 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.853 9.961 3.060 1.00 20.67 H new ATOM 794 N LEU A 50 0.793 6.957 3.219 1.00 6.51 N ATOM 795 CA LEU A 50 1.655 6.996 2.115 1.00 7.41 C ATOM 796 C LEU A 50 1.108 7.764 0.892 1.00 8.27 C ATOM 797 O LEU A 50 -0.013 7.557 0.420 1.00 8.34 O ATOM 798 CB LEU A 50 2.127 5.591 1.711 1.00 7.13 C ATOM 799 CG LEU A 50 2.474 4.693 2.851 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.762 3.336 2.226 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.599 5.265 3.808 1.00 9.11 C ATOM 0 H LEU A 50 0.269 6.094 3.365 1.00 6.51 H new ATOM 0 HA LEU A 50 2.513 7.573 2.461 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.344 5.117 1.119 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.000 5.688 1.065 1.00 7.13 H new ATOM 0 HG LEU A 50 1.648 4.605 3.557 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.025 2.624 3.008 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.876 2.984 1.697 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.591 3.427 1.524 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.792 4.552 4.610 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.514 5.426 3.238 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.266 6.211 4.236 1.00 9.11 H new ATOM 813 N GLU A 51 1.947 8.537 0.237 1.00 9.43 N ATOM 814 CA GLU A 51 1.491 9.443 -0.893 1.00 11.90 C ATOM 815 C GLU A 51 1.687 8.852 -2.343 1.00 11.49 C ATOM 816 O GLU A 51 2.701 8.252 -2.662 1.00 9.88 O ATOM 817 CB GLU A 51 2.114 10.921 -0.772 1.00 16.56 C ATOM 818 CG GLU A 51 1.758 11.573 0.521 1.00 26.06 C ATOM 819 CD GLU A 51 2.377 13.006 0.602 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.366 13.357 -0.087 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.766 13.778 1.394 1.00 33.44 O ATOM 0 H GLU A 51 2.946 8.585 0.435 1.00 9.43 H new ATOM 0 HA GLU A 51 0.411 9.513 -0.761 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.199 10.866 -0.864 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.755 11.535 -1.598 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.674 11.633 0.618 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.119 10.967 1.352 1.00 26.06 H new ATOM 828 N ASP A 52 0.733 9.094 -3.204 1.00 12.71 N ATOM 829 CA ASP A 52 0.643 8.380 -4.466 1.00 16.56 C ATOM 830 C ASP A 52 1.852 8.351 -5.441 1.00 15.83 C ATOM 831 O ASP A 52 2.184 7.285 -5.974 1.00 17.21 O ATOM 832 CB ASP A 52 -0.612 8.957 -5.184 1.00 21.05 C ATOM 833 CG ASP A 52 -1.802 8.973 -4.216 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.386 7.897 -3.973 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.159 10.055 -3.684 1.00 25.82 O ATOM 0 H ASP A 52 -0.003 9.786 -3.059 1.00 12.71 H new ATOM 0 HA ASP A 52 0.600 7.326 -4.191 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.407 9.967 -5.540 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.851 8.353 -6.059 1.00 21.05 H new ATOM 840 N GLY A 53 2.534 9.476 -5.655 1.00 15.00 N ATOM 841 CA GLY A 53 3.646 9.587 -6.599 1.00 11.77 C ATOM 842 C GLY A 53 4.987 9.540 -6.068 1.00 11.10 C ATOM 843 O GLY A 53 5.934 9.770 -6.831 1.00 11.25 O ATOM 0 H GLY A 53 2.326 10.349 -5.170 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.547 8.784 -7.329 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.533 10.526 -7.141 1.00 11.77 H new ATOM 847 N ARG A 54 5.173 9.187 -4.706 1.00 8.53 N ATOM 848 CA ARG A 54 6.380 8.914 -4.034 1.00 9.05 C ATOM 849 C ARG A 54 6.502 7.421 -4.089 1.00 8.96 C ATOM 850 O ARG A 54 5.586 6.644 -4.337 1.00 11.60 O ATOM 851 CB ARG A 54 6.582 9.504 -2.623 1.00 7.97 C ATOM 852 CG ARG A 54 6.188 10.926 -2.434 1.00 9.62 C ATOM 853 CD ARG A 54 6.667 11.388 -1.043 1.00 12.20 C ATOM 854 NE ARG A 54 6.186 12.837 -0.862 1.00 18.23 N ATOM 855 CZ ARG A 54 6.980 13.920 -0.880 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.270 13.870 -1.297 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.459 15.169 -0.698 1.00 23.38 N ATOM 0 H ARG A 54 4.373 9.103 -4.079 1.00 8.53 H new ATOM 0 HA ARG A 54 7.190 9.441 -4.538 1.00 9.05 H new ATOM 0 HB2 ARG A 54 6.017 8.897 -1.916 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.635 9.404 -2.359 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.630 11.548 -3.212 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.106 11.033 -2.517 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.260 10.746 -0.262 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.753 11.330 -0.970 1.00 12.20 H new ATOM 0 HE ARG A 54 5.188 12.987 -0.717 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.670 12.986 -1.612 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.840 14.716 -1.295 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.457 15.287 -0.546 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.072 15.984 -0.714 1.00 23.38 H new ATOM 871 N THR A 55 7.756 6.919 -3.769 1.00 9.05 N ATOM 872 CA THR A 55 8.087 5.479 -3.817 1.00 9.03 C ATOM 873 C THR A 55 8.059 4.855 -2.453 1.00 8.15 C ATOM 874 O THR A 55 7.988 5.551 -1.424 1.00 5.91 O ATOM 875 CB THR A 55 9.458 5.180 -4.436 1.00 11.15 C ATOM 876 OG1 THR A 55 10.552 5.657 -3.637 1.00 11.95 O ATOM 877 CG2 THR A 55 9.666 5.884 -5.781 1.00 11.71 C ATOM 0 H THR A 55 8.536 7.509 -3.479 1.00 9.05 H new ATOM 0 HA THR A 55 7.315 5.049 -4.455 1.00 9.03 H new ATOM 0 HB THR A 55 9.454 4.094 -4.526 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.508 6.634 -3.572 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.653 5.636 -6.172 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.903 5.555 -6.486 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.591 6.963 -5.643 1.00 11.71 H new ATOM 885 N LEU A 56 8.093 3.518 -2.380 1.00 6.91 N ATOM 886 CA LEU A 56 8.245 2.810 -1.136 1.00 8.29 C ATOM 887 C LEU A 56 9.558 3.219 -0.370 1.00 8.05 C ATOM 888 O LEU A 56 9.634 3.380 0.890 1.00 10.17 O ATOM 889 CB LEU A 56 8.359 1.349 -1.450 1.00 6.60 C ATOM 890 CG LEU A 56 7.024 0.734 -1.814 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.180 -0.240 -2.979 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.439 0.007 -0.684 1.00 8.64 C ATOM 0 H LEU A 56 8.014 2.909 -3.195 1.00 6.91 H new ATOM 0 HA LEU A 56 7.386 3.048 -0.509 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.058 1.210 -2.275 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.775 0.826 -0.589 1.00 6.60 H new ATOM 0 HG LEU A 56 6.364 1.555 -2.094 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.210 -0.671 -3.225 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.572 0.290 -3.847 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.870 -1.036 -2.698 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.482 -0.421 -0.983 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.114 -0.792 -0.377 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.286 0.692 0.150 1.00 8.64 H new ATOM 904 N SER A 57 10.629 3.391 -1.145 1.00 8.92 N ATOM 905 CA SER A 57 11.983 3.780 -0.638 1.00 9.00 C ATOM 906 C SER A 57 12.031 5.069 0.068 1.00 9.44 C ATOM 907 O SER A 57 12.786 5.287 1.060 1.00 10.91 O ATOM 908 CB SER A 57 13.035 3.859 -1.812 1.00 10.32 C ATOM 909 OG SER A 57 13.043 5.044 -2.634 1.00 13.59 O ATOM 0 H SER A 57 10.600 3.267 -2.157 1.00 8.92 H new ATOM 0 HA SER A 57 12.226 2.991 0.074 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.029 3.746 -1.378 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.873 3.001 -2.464 1.00 10.32 H new ATOM 0 HG SER A 57 12.141 5.209 -2.979 1.00 13.59 H new ATOM 915 N ASP A 58 11.240 6.086 -0.323 1.00 9.11 N ATOM 916 CA ASP A 58 11.198 7.385 0.310 1.00 7.91 C ATOM 917 C ASP A 58 10.773 7.353 1.754 1.00 9.12 C ATOM 918 O ASP A 58 11.203 8.172 2.590 1.00 8.61 O ATOM 919 CB ASP A 58 10.155 8.302 -0.474 1.00 8.41 C ATOM 920 CG ASP A 58 10.633 8.563 -1.883 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.609 9.300 -1.989 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.041 8.163 -2.948 1.00 10.05 O ATOM 0 H ASP A 58 10.600 6.007 -1.113 1.00 9.11 H new ATOM 0 HA ASP A 58 12.216 7.772 0.277 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.180 7.814 -0.499 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.025 9.247 0.053 1.00 8.41 H new ATOM 927 N TYR A 59 9.898 6.425 2.057 1.00 7.97 N ATOM 928 CA TYR A 59 9.411 6.104 3.374 1.00 8.45 C ATOM 929 C TYR A 59 10.360 5.105 4.052 1.00 10.98 C ATOM 930 O TYR A 59 10.246 4.686 5.205 1.00 12.95 O ATOM 931 CB TYR A 59 8.053 5.438 3.288 1.00 7.94 C ATOM 932 CG TYR A 59 7.067 6.450 2.834 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.665 7.484 3.668 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.653 6.431 1.460 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.772 8.483 3.204 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.861 7.488 1.001 1.00 6.52 C ATOM 937 CZ TYR A 59 5.419 8.503 1.882 1.00 6.76 C ATOM 938 OH TYR A 59 4.421 9.424 1.443 1.00 7.63 O ATOM 0 H TYR A 59 9.479 5.834 1.339 1.00 7.97 H new ATOM 0 HA TYR A 59 9.347 7.033 3.941 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.084 4.599 2.592 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.765 5.036 4.259 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.036 7.528 4.681 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.944 5.626 0.801 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.375 9.220 3.886 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.583 7.530 -0.042 1.00 6.52 H new ATOM 0 HH TYR A 59 4.443 10.224 2.008 1.00 7.63 H new ATOM 948 N ASN A 60 11.442 4.741 3.412 1.00 12.38 N ATOM 949 CA ASN A 60 12.434 3.752 3.880 1.00 13.94 C ATOM 950 C ASN A 60 11.918 2.295 4.121 1.00 14.16 C ATOM 951 O ASN A 60 12.405 1.507 4.916 1.00 14.26 O ATOM 952 CB ASN A 60 13.195 4.111 5.185 1.00 19.23 C ATOM 953 CG ASN A 60 13.787 5.530 4.979 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.659 5.734 4.147 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.337 6.602 5.728 1.00 24.09 N ATOM 0 H ASN A 60 11.685 5.134 2.503 1.00 12.38 H new ATOM 0 HA ASN A 60 13.090 3.791 3.011 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.523 4.093 6.043 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.985 3.387 5.384 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.732 7.530 5.578 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.610 6.464 6.430 1.00 24.09 H new ATOM 962 N ILE A 61 10.889 1.892 3.390 1.00 11.08 N ATOM 963 CA ILE A 61 10.356 0.562 3.419 1.00 11.78 C ATOM 964 C ILE A 61 11.306 -0.442 2.887 1.00 13.74 C ATOM 965 O ILE A 61 11.849 -0.305 1.777 1.00 14.60 O ATOM 966 CB ILE A 61 9.003 0.413 2.721 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.911 1.248 3.494 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.548 -1.098 2.584 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.686 1.581 2.621 1.00 11.42 C ATOM 0 H ILE A 61 10.396 2.509 2.745 1.00 11.08 H new ATOM 0 HA ILE A 61 10.193 0.368 4.479 1.00 11.78 H new ATOM 0 HB ILE A 61 9.115 0.798 1.708 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.585 0.688 4.371 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.357 2.175 3.855 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.582 -1.143 2.081 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.286 -1.649 2.001 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.462 -1.544 3.575 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.968 2.156 3.206 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.003 2.166 1.758 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.219 0.656 2.281 1.00 11.42 H new ATOM 981 N GLN A 62 11.678 -1.515 3.638 1.00 13.97 N ATOM 982 CA GLN A 62 12.565 -2.558 3.290 1.00 15.52 C ATOM 983 C GLN A 62 11.930 -3.888 2.844 1.00 13.94 C ATOM 984 O GLN A 62 10.761 -4.190 2.967 1.00 12.15 O ATOM 985 CB GLN A 62 13.549 -2.683 4.432 1.00 19.53 C ATOM 986 CG GLN A 62 14.139 -1.341 4.834 1.00 26.38 C ATOM 987 CD GLN A 62 14.796 -1.563 6.254 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.379 -2.596 6.542 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.651 -0.559 7.129 1.00 32.71 N ATOM 0 H GLN A 62 11.307 -1.643 4.580 1.00 13.97 H new ATOM 0 HA GLN A 62 13.072 -2.287 2.364 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.050 -3.130 5.292 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.354 -3.359 4.143 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.881 -1.008 4.108 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.367 -0.572 4.877 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.158 0.290 6.854 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.034 -0.644 8.071 1.00 32.71 H new ATOM 998 N LYS A 63 12.780 -4.864 2.428 1.00 11.73 N ATOM 999 CA LYS A 63 12.536 -6.212 2.131 1.00 11.97 C ATOM 1000 C LYS A 63 11.859 -7.015 3.260 1.00 10.41 C ATOM 1001 O LYS A 63 12.311 -7.034 4.372 1.00 9.59 O ATOM 1002 CB LYS A 63 13.899 -6.876 1.625 1.00 13.73 C ATOM 1003 CG LYS A 63 15.123 -6.917 2.612 1.00 16.98 C ATOM 1004 CD LYS A 63 16.254 -7.852 2.196 1.00 20.19 C ATOM 1005 CE LYS A 63 17.273 -8.182 3.301 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.989 -6.930 3.645 1.00 25.97 N ATOM 0 H LYS A 63 13.767 -4.645 2.291 1.00 11.73 H new ATOM 0 HA LYS A 63 11.791 -6.244 1.336 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.678 -7.901 1.327 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.214 -6.344 0.727 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.524 -5.908 2.712 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.766 -7.218 3.597 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.819 -8.784 1.835 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.785 -7.403 1.357 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.768 -8.587 4.178 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.975 -8.942 2.959 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.710 -7.130 4.368 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.448 -6.548 2.794 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.312 -6.233 4.015 1.00 25.97 H new ATOM 1020 N GLU A 64 10.664 -7.575 2.936 1.00 10.04 N ATOM 1021 CA GLU A 64 9.804 -8.384 3.772 1.00 10.94 C ATOM 1022 C GLU A 64 9.069 -7.548 4.826 1.00 9.74 C ATOM 1023 O GLU A 64 8.607 -8.116 5.810 1.00 9.42 O ATOM 1024 CB GLU A 64 10.541 -9.564 4.373 1.00 18.31 C ATOM 1025 CG GLU A 64 11.251 -10.440 3.304 1.00 24.16 C ATOM 1026 CD GLU A 64 12.123 -11.495 3.904 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.655 -12.207 4.787 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.269 -11.589 3.384 1.00 31.72 O ATOM 0 H GLU A 64 10.266 -7.449 2.005 1.00 10.04 H new ATOM 0 HA GLU A 64 9.034 -8.801 3.124 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.280 -9.199 5.086 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.836 -10.180 4.931 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.500 -10.913 2.671 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.854 -9.801 2.659 1.00 24.16 H new ATOM 1035 N SER A 65 9.033 -6.182 4.722 1.00 6.85 N ATOM 1036 CA SER A 65 8.291 -5.261 5.548 1.00 6.90 C ATOM 1037 C SER A 65 6.778 -5.416 5.560 1.00 4.72 C ATOM 1038 O SER A 65 6.139 -5.624 4.526 1.00 3.91 O ATOM 1039 CB SER A 65 8.650 -3.856 5.267 1.00 7.28 C ATOM 1040 OG SER A 65 8.132 -2.973 6.228 1.00 10.56 O ATOM 0 H SER A 65 9.567 -5.696 4.002 1.00 6.85 H new ATOM 0 HA SER A 65 8.607 -5.542 6.553 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.735 -3.760 5.235 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.276 -3.578 4.282 1.00 7.28 H new ATOM 0 HG SER A 65 8.394 -2.056 6.005 1.00 10.56 H new ATOM 1046 N THR A 66 6.276 -5.187 6.771 1.00 4.48 N ATOM 1047 CA THR A 66 4.828 -5.235 7.002 1.00 3.80 C ATOM 1048 C THR A 66 4.215 -3.819 6.818 1.00 4.60 C ATOM 1049 O THR A 66 4.545 -2.895 7.508 1.00 5.33 O ATOM 1050 CB THR A 66 4.409 -5.916 8.274 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.160 -7.087 8.391 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.970 -6.410 8.121 1.00 3.40 C ATOM 0 H THR A 66 6.835 -4.970 7.596 1.00 4.48 H new ATOM 0 HA THR A 66 4.409 -5.891 6.239 1.00 3.80 H new ATOM 0 HB THR A 66 4.530 -5.228 9.111 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.910 -7.555 9.215 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.656 -6.906 9.039 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.313 -5.563 7.924 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.913 -7.114 7.291 1.00 3.40 H new ATOM 1060 N LEU A 67 3.272 -3.725 5.859 1.00 4.17 N ATOM 1061 CA LEU A 67 2.706 -2.447 5.509 1.00 3.85 C ATOM 1062 C LEU A 67 1.193 -2.581 5.784 1.00 3.80 C ATOM 1063 O LEU A 67 0.555 -3.553 5.439 1.00 5.54 O ATOM 1064 CB LEU A 67 2.949 -2.199 3.999 1.00 7.18 C ATOM 1065 CG LEU A 67 4.402 -2.056 3.601 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.424 -1.399 2.195 1.00 8.12 C ATOM 1067 CD2 LEU A 67 5.367 -1.270 4.555 1.00 11.66 C ATOM 0 H LEU A 67 2.904 -4.517 5.332 1.00 4.17 H new ATOM 0 HA LEU A 67 3.143 -1.621 6.071 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.513 -3.024 3.436 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.416 -1.295 3.704 1.00 7.18 H new ATOM 0 HG LEU A 67 4.805 -3.068 3.643 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.456 -1.276 1.867 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.892 -2.035 1.488 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.940 -0.424 2.242 1.00 8.12 H new ATOM 0 HD21 LEU A 67 6.370 -1.258 4.128 1.00 11.66 H new ATOM 0 HD22 LEU A 67 5.010 -0.247 4.672 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.393 -1.759 5.529 1.00 11.66 H new ATOM 1079 N HIS A 68 0.664 -1.610 6.531 1.00 2.94 N ATOM 1080 CA HIS A 68 -0.762 -1.554 6.927 1.00 4.17 C ATOM 1081 C HIS A 68 -1.651 -1.061 5.844 1.00 5.32 C ATOM 1082 O HIS A 68 -1.254 -0.257 4.977 1.00 7.70 O ATOM 1083 CB HIS A 68 -0.982 -0.849 8.361 1.00 5.57 C ATOM 1084 CG HIS A 68 0.083 -1.296 9.302 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.236 -0.545 9.493 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.311 -2.472 9.957 1.00 12.79 C ATOM 1087 CE1 HIS A 68 2.048 -1.205 10.292 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.518 -2.389 10.670 1.00 16.30 N ATOM 0 H HIS A 68 1.212 -0.827 6.887 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.083 -2.585 7.078 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.955 0.235 8.253 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.964 -1.106 8.758 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.423 0.369 9.081 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -0.338 -3.335 9.931 1.00 12.79 H new ATOM 0 HE1 HIS A 68 3.017 -0.845 10.606 1.00 14.75 H new ATOM 1096 N LEU A 69 -2.916 -1.549 5.804 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.888 -1.170 4.795 1.00 3.97 C ATOM 1098 C LEU A 69 -5.167 -0.997 5.486 1.00 5.07 C ATOM 1099 O LEU A 69 -5.674 -1.814 6.255 1.00 4.34 O ATOM 1100 CB LEU A 69 -3.968 -2.287 3.735 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.091 -2.203 2.724 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.193 -0.882 1.960 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.122 -3.389 1.810 1.00 9.96 C ATOM 0 H LEU A 69 -3.275 -2.220 6.484 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.616 -0.246 4.284 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.024 -2.304 3.190 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.053 -3.241 4.255 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.994 -2.226 3.334 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.030 -0.929 1.263 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.353 -0.066 2.664 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.269 -0.709 1.408 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -5.945 -3.282 1.103 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.181 -3.452 1.264 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.263 -4.297 2.397 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.815 0.204 5.238 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.090 0.655 5.852 1.00 6.26 C ATOM 1117 C VAL A 70 -8.045 0.824 4.731 1.00 9.22 C ATOM 1118 O VAL A 70 -7.748 1.460 3.693 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.890 2.029 6.575 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.295 2.575 7.083 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.862 1.926 7.722 1.00 8.54 C ATOM 0 H VAL A 70 -5.438 0.890 4.584 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.447 -0.063 6.591 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.480 2.743 5.861 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.153 3.532 7.586 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.963 2.708 6.232 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.733 1.860 7.780 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.751 2.900 8.199 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.208 1.199 8.457 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.900 1.606 7.321 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.271 0.268 4.911 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.155 0.152 3.744 1.00 16.06 C ATOM 1133 C LEU A 71 -11.397 0.868 4.002 1.00 18.09 C ATOM 1134 O LEU A 71 -12.024 0.775 5.076 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.557 -1.332 3.365 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.374 -2.180 2.891 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -9.681 -3.645 2.519 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.691 -1.555 1.666 1.00 19.57 C ATOM 0 H LEU A 71 -9.644 -0.083 5.793 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.583 0.567 2.914 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.013 -1.810 4.232 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.314 -1.307 2.581 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.736 -2.194 3.774 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -8.764 -4.139 2.199 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -10.089 -4.163 3.387 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.408 -3.670 1.707 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -7.855 -2.182 1.356 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.409 -1.477 0.850 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.323 -0.561 1.922 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.876 1.616 2.986 1.00 21.47 N ATOM 1151 CA ARG A 72 -13.198 2.233 2.973 1.00 25.83 C ATOM 1152 C ARG A 72 -14.281 1.216 2.586 1.00 27.74 C ATOM 1153 O ARG A 72 -15.453 1.279 2.894 1.00 30.65 O ATOM 1154 CB ARG A 72 -13.189 3.493 2.004 1.00 28.49 C ATOM 1155 CG ARG A 72 -14.319 4.491 2.188 1.00 31.79 C ATOM 1156 CD ARG A 72 -13.987 5.853 1.546 1.00 34.05 C ATOM 1157 NE ARG A 72 -15.301 6.397 1.108 1.00 35.08 N ATOM 1158 CZ ARG A 72 -15.588 6.920 -0.078 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -14.630 7.123 -0.972 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -16.869 7.170 -0.419 1.00 35.02 N ATOM 0 H ARG A 72 -11.337 1.805 2.141 1.00 21.47 H new ATOM 0 HA ARG A 72 -13.441 2.578 3.978 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -12.243 4.019 2.135 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -13.214 3.134 0.975 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -15.232 4.093 1.745 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -14.514 4.628 3.252 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -13.501 6.519 2.259 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -13.306 5.737 0.703 1.00 34.05 H new ATOM 0 HE ARG A 72 -16.059 6.365 1.789 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -13.665 6.877 -0.750 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -14.858 7.525 -1.881 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -17.622 6.957 0.235 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -17.085 7.572 -1.331 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.860 0.139 1.914 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.633 -0.972 1.385 1.00 30.76 C ATOM 1176 C LEU A 73 -15.300 -1.779 2.490 1.00 32.18 C ATOM 1177 O LEU A 73 -14.629 -2.069 3.515 1.00 32.31 O ATOM 1178 CB LEU A 73 -13.675 -1.952 0.560 1.00 30.53 C ATOM 1179 CG LEU A 73 -14.284 -3.015 -0.359 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -15.172 -2.392 -1.418 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -13.187 -3.850 -1.053 1.00 29.11 C ATOM 0 H LEU A 73 -12.868 0.019 1.711 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.407 -0.550 0.744 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -13.021 -1.330 -0.051 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -13.041 -2.469 1.280 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.887 -3.666 0.274 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -15.587 -3.176 -2.052 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.984 -1.846 -0.937 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -14.585 -1.705 -2.028 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -13.651 -4.596 -1.698 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -12.555 -3.194 -1.652 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -12.579 -4.350 -0.299 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.577 -2.295 2.307 1.00 33.82 N ATOM 1194 CA ARG A 74 -17.303 -3.050 3.267 1.00 35.33 C ATOM 1195 C ARG A 74 -16.788 -4.438 3.433 1.00 36.22 C ATOM 1196 O ARG A 74 -16.732 -4.976 4.566 1.00 36.70 O ATOM 1197 CB ARG A 74 -18.842 -3.011 3.090 1.00 36.91 C ATOM 1198 CG ARG A 74 -19.488 -1.622 3.082 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.355 -0.799 4.392 1.00 39.75 C ATOM 1200 NE ARG A 74 -19.965 -1.699 5.504 1.00 41.13 N ATOM 1201 CZ ARG A 74 -19.318 -2.193 6.592 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -18.101 -1.749 6.944 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -19.895 -3.070 7.388 1.00 41.93 N ATOM 0 H ARG A 74 -17.096 -2.160 1.439 1.00 33.82 H new ATOM 0 HA ARG A 74 -17.114 -2.531 4.206 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -19.092 -3.510 2.154 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -19.294 -3.594 3.892 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -19.050 -1.045 2.268 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.548 -1.738 2.856 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.312 -0.563 4.604 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -19.887 0.149 4.317 1.00 39.75 H new ATOM 0 HE ARG A 74 -20.951 -1.943 5.407 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -17.642 -1.025 6.390 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.635 -2.135 7.765 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -20.844 -3.390 7.192 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -19.393 -3.429 8.200 1.00 41.93 H new ATOM 1217 N GLY A 75 -16.466 -5.112 2.371 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.790 -6.344 2.301 1.00 36.07 C ATOM 1219 C GLY A 75 -14.293 -6.225 2.536 1.00 36.16 C ATOM 1220 O GLY A 75 -13.860 -5.812 3.603 1.00 36.26 O ATOM 0 H GLY A 75 -16.702 -4.763 1.442 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.213 -7.025 3.040 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -15.962 -6.789 1.321 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.412 -6.543 1.567 1.00 36.05 N ATOM 1225 CA GLY A 76 -11.979 -6.415 1.771 1.00 36.19 C ATOM 1226 C GLY A 76 -11.265 -7.669 1.287 1.00 36.20 C ATOM 1227 O GLY A 76 -10.793 -8.458 2.139 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.141 -7.842 0.032 1.00 0.00 O ATOM 0 H GLY A 76 -13.678 -6.887 0.645 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -11.604 -5.544 1.233 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -11.768 -6.253 2.828 1.00 36.19 H new TER 1232 GLY A 76