USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 419 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 33 ASN : amide:sc= -1.61 K(o=-2.7,f=-8.9!) USER MOD Set 1.2: A 50 ASN : amide:sc= -1.08! C(o=-2.7!,f=-2.7!) USER MOD Set 2.1: A 37 THR OG1 : rot -111:sc= -1.74 USER MOD Set 2.2: A 41 ASN : amide:sc= 0.409 K(o=-1.3,f=-0.3) USER MOD Single : A 1 ALA N :NH3+ 141:sc= 0.0081 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -108:sc= -0.38 (180deg=-1.48!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.217 K(o=-0.22,f=-3.1!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 30:sc= -0.882 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -4.34! C(o=-4.3!,f=-8.2!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.563 X(o=-0.56,f=-0.083) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.434 X(o=-0.43,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.212 -1.084 0.276 1.00 61.13 N ATOM 2 CA ALA A 1 2.012 -0.838 -0.918 1.00 22.14 C ATOM 3 C ALA A 1 3.419 -1.407 -0.762 1.00 54.42 C ATOM 4 O ALA A 1 4.041 -1.272 0.291 1.00 4.23 O ATOM 5 CB ALA A 1 2.073 0.653 -1.214 1.00 62.00 C ATOM 0 H1 ALA A 1 0.620 -0.252 0.475 1.00 61.13 H new ATOM 0 H2 ALA A 1 0.603 -1.913 0.121 1.00 61.13 H new ATOM 0 H3 ALA A 1 1.841 -1.262 1.085 1.00 61.13 H new ATOM 0 HA ALA A 1 1.534 -1.344 -1.757 1.00 22.14 H new ATOM 0 HB1 ALA A 1 2.673 0.822 -2.108 1.00 62.00 H new ATOM 0 HB2 ALA A 1 1.065 1.033 -1.377 1.00 62.00 H new ATOM 0 HB3 ALA A 1 2.525 1.173 -0.370 1.00 62.00 H new ATOM 11 N LYS A 2 3.914 -2.043 -1.818 1.00 22.42 N ATOM 12 CA LYS A 2 5.248 -2.633 -1.800 1.00 12.41 C ATOM 13 C LYS A 2 5.854 -2.650 -3.200 1.00 11.15 C ATOM 14 O LYS A 2 6.733 -1.848 -3.516 1.00 13.32 O ATOM 15 CB LYS A 2 5.192 -4.056 -1.239 1.00 53.53 C ATOM 16 CG LYS A 2 4.952 -4.110 0.259 1.00 15.25 C ATOM 17 CD LYS A 2 5.115 -5.520 0.800 1.00 62.53 C ATOM 18 CE LYS A 2 6.545 -6.015 0.642 1.00 32.40 C ATOM 19 NZ LYS A 2 6.716 -6.832 -0.592 1.00 2.44 N ATOM 0 H LYS A 2 3.412 -2.163 -2.698 1.00 22.42 H new ATOM 0 HA LYS A 2 5.880 -2.021 -1.157 1.00 12.41 H new ATOM 0 HB2 LYS A 2 4.399 -4.606 -1.746 1.00 53.53 H new ATOM 0 HB3 LYS A 2 6.129 -4.565 -1.467 1.00 53.53 H new ATOM 0 HG2 LYS A 2 5.650 -3.443 0.764 1.00 15.25 H new ATOM 0 HG3 LYS A 2 3.948 -3.748 0.481 1.00 15.25 H new ATOM 0 HD2 LYS A 2 4.836 -5.541 1.853 1.00 62.53 H new ATOM 0 HD3 LYS A 2 4.436 -6.193 0.276 1.00 62.53 H new ATOM 0 HE2 LYS A 2 7.223 -5.162 0.610 1.00 32.40 H new ATOM 0 HE3 LYS A 2 6.822 -6.610 1.513 1.00 32.40 H new ATOM 0 HZ1 LYS A 2 6.835 -7.832 -0.333 1.00 2.44 H new ATOM 0 HZ2 LYS A 2 5.876 -6.729 -1.196 1.00 2.44 H new ATOM 0 HZ3 LYS A 2 7.557 -6.506 -1.110 1.00 2.44 H new ATOM 33 N TYR A 3 5.378 -3.567 -4.034 1.00 21.51 N ATOM 34 CA TYR A 3 5.874 -3.689 -5.400 1.00 30.24 C ATOM 35 C TYR A 3 4.721 -3.853 -6.385 1.00 61.12 C ATOM 36 O TYR A 3 3.630 -4.289 -6.017 1.00 31.51 O ATOM 37 CB TYR A 3 6.830 -4.878 -5.513 1.00 52.03 C ATOM 38 CG TYR A 3 8.158 -4.528 -6.145 1.00 24.51 C ATOM 39 CD1 TYR A 3 8.260 -4.294 -7.511 1.00 0.02 C ATOM 40 CD2 TYR A 3 9.312 -4.434 -5.376 1.00 51.35 C ATOM 41 CE1 TYR A 3 9.472 -3.975 -8.093 1.00 32.05 C ATOM 42 CE2 TYR A 3 10.528 -4.114 -5.949 1.00 55.14 C ATOM 43 CZ TYR A 3 10.602 -3.886 -7.308 1.00 5.34 C ATOM 44 OH TYR A 3 11.812 -3.568 -7.882 1.00 72.23 O ATOM 0 H TYR A 3 4.649 -4.237 -3.789 1.00 21.51 H new ATOM 0 HA TYR A 3 6.412 -2.774 -5.648 1.00 30.24 H new ATOM 0 HB2 TYR A 3 7.007 -5.287 -4.518 1.00 52.03 H new ATOM 0 HB3 TYR A 3 6.353 -5.663 -6.100 1.00 52.03 H new ATOM 0 HD1 TYR A 3 7.377 -4.363 -8.129 1.00 0.02 H new ATOM 0 HD2 TYR A 3 9.257 -4.614 -4.313 1.00 51.35 H new ATOM 0 HE1 TYR A 3 9.534 -3.796 -9.156 1.00 32.05 H new ATOM 0 HE2 TYR A 3 11.415 -4.043 -5.337 1.00 55.14 H new ATOM 0 HH TYR A 3 12.506 -3.545 -7.191 1.00 72.23 H new ATOM 54 N THR A 4 4.971 -3.500 -7.642 1.00 61.34 N ATOM 55 CA THR A 4 3.956 -3.607 -8.683 1.00 11.05 C ATOM 56 C THR A 4 4.131 -4.886 -9.492 1.00 72.55 C ATOM 57 O THR A 4 5.181 -5.116 -10.090 1.00 44.31 O ATOM 58 CB THR A 4 4.000 -2.399 -9.637 1.00 2.31 C ATOM 59 OG1 THR A 4 3.047 -2.572 -10.691 1.00 52.22 O ATOM 60 CG2 THR A 4 5.391 -2.227 -10.228 1.00 4.43 C ATOM 0 H THR A 4 5.868 -3.137 -7.964 1.00 61.34 H new ATOM 0 HA THR A 4 2.989 -3.628 -8.180 1.00 11.05 H new ATOM 0 HB THR A 4 3.751 -1.504 -9.066 1.00 2.31 H new ATOM 0 HG1 THR A 4 3.080 -1.799 -11.292 1.00 52.22 H new ATOM 0 HG21 THR A 4 5.398 -1.368 -10.899 1.00 4.43 H new ATOM 0 HG22 THR A 4 6.110 -2.066 -9.425 1.00 4.43 H new ATOM 0 HG23 THR A 4 5.663 -3.124 -10.785 1.00 4.43 H new ATOM 68 N GLY A 5 3.093 -5.718 -9.509 1.00 2.05 N ATOM 69 CA GLY A 5 3.153 -6.964 -10.249 1.00 71.52 C ATOM 70 C GLY A 5 1.970 -7.143 -11.181 1.00 4.34 C ATOM 71 O GLY A 5 1.032 -6.345 -11.165 1.00 62.52 O ATOM 0 H GLY A 5 2.212 -5.550 -9.023 1.00 2.05 H new ATOM 0 HA2 GLY A 5 4.076 -6.995 -10.828 1.00 71.52 H new ATOM 0 HA3 GLY A 5 3.189 -7.798 -9.548 1.00 71.52 H new ATOM 75 N LYS A 6 2.014 -8.191 -11.996 1.00 43.20 N ATOM 76 CA LYS A 6 0.939 -8.472 -12.940 1.00 30.23 C ATOM 77 C LYS A 6 0.609 -9.961 -12.960 1.00 72.22 C ATOM 78 O LYS A 6 1.497 -10.803 -13.098 1.00 42.31 O ATOM 79 CB LYS A 6 1.330 -8.006 -14.344 1.00 21.40 C ATOM 80 CG LYS A 6 2.807 -7.681 -14.488 1.00 32.14 C ATOM 81 CD LYS A 6 3.168 -7.351 -15.926 1.00 54.42 C ATOM 82 CE LYS A 6 3.802 -5.973 -16.039 1.00 52.32 C ATOM 83 NZ LYS A 6 4.837 -5.924 -17.109 1.00 75.40 N ATOM 0 H LYS A 6 2.783 -8.860 -12.022 1.00 43.20 H new ATOM 0 HA LYS A 6 0.053 -7.926 -12.617 1.00 30.23 H new ATOM 0 HB2 LYS A 6 1.066 -8.782 -15.062 1.00 21.40 H new ATOM 0 HB3 LYS A 6 0.746 -7.122 -14.600 1.00 21.40 H new ATOM 0 HG2 LYS A 6 3.059 -6.837 -13.846 1.00 32.14 H new ATOM 0 HG3 LYS A 6 3.402 -8.529 -14.148 1.00 32.14 H new ATOM 0 HD2 LYS A 6 3.857 -8.103 -16.311 1.00 54.42 H new ATOM 0 HD3 LYS A 6 2.272 -7.393 -16.546 1.00 54.42 H new ATOM 0 HE2 LYS A 6 3.029 -5.234 -16.248 1.00 52.32 H new ATOM 0 HE3 LYS A 6 4.253 -5.702 -15.085 1.00 52.32 H new ATOM 0 HZ1 LYS A 6 5.245 -4.968 -17.154 1.00 75.40 H new ATOM 0 HZ2 LYS A 6 5.588 -6.611 -16.897 1.00 75.40 H new ATOM 0 HZ3 LYS A 6 4.402 -6.158 -18.024 1.00 75.40 H new ATOM 97 N CYS A 7 -0.674 -10.280 -12.823 1.00 61.15 N ATOM 98 CA CYS A 7 -1.122 -11.667 -12.827 1.00 71.43 C ATOM 99 C CYS A 7 -2.067 -11.930 -13.996 1.00 72.51 C ATOM 100 O CYS A 7 -2.905 -11.093 -14.333 1.00 42.04 O ATOM 101 CB CYS A 7 -1.820 -12.004 -11.508 1.00 4.54 C ATOM 102 SG CYS A 7 -3.559 -12.513 -11.694 1.00 43.34 S ATOM 0 H CYS A 7 -1.422 -9.596 -12.708 1.00 61.15 H new ATOM 0 HA CYS A 7 -0.245 -12.305 -12.940 1.00 71.43 H new ATOM 0 HB2 CYS A 7 -1.270 -12.804 -11.012 1.00 4.54 H new ATOM 0 HB3 CYS A 7 -1.776 -11.134 -10.853 1.00 4.54 H new ATOM 107 N THR A 8 -1.927 -13.101 -14.612 1.00 11.35 N ATOM 108 CA THR A 8 -2.767 -13.475 -15.743 1.00 5.34 C ATOM 109 C THR A 8 -3.844 -14.468 -15.323 1.00 14.41 C ATOM 110 O THR A 8 -3.544 -15.555 -14.830 1.00 63.11 O ATOM 111 CB THR A 8 -1.932 -14.091 -16.882 1.00 15.23 C ATOM 112 OG1 THR A 8 -2.790 -14.486 -17.958 1.00 41.24 O ATOM 113 CG2 THR A 8 -1.145 -15.294 -16.386 1.00 32.40 C ATOM 0 H THR A 8 -1.240 -13.806 -14.346 1.00 11.35 H new ATOM 0 HA THR A 8 -3.240 -12.561 -16.102 1.00 5.34 H new ATOM 0 HB THR A 8 -1.228 -13.338 -17.236 1.00 15.23 H new ATOM 0 HG1 THR A 8 -2.252 -14.875 -18.679 1.00 41.24 H new ATOM 0 HG21 THR A 8 -0.563 -15.712 -17.208 1.00 32.40 H new ATOM 0 HG22 THR A 8 -0.473 -14.984 -15.586 1.00 32.40 H new ATOM 0 HG23 THR A 8 -1.834 -16.049 -16.008 1.00 32.40 H new ATOM 121 N LYS A 9 -5.102 -14.088 -15.522 1.00 0.44 N ATOM 122 CA LYS A 9 -6.226 -14.945 -15.166 1.00 32.23 C ATOM 123 C LYS A 9 -6.089 -16.319 -15.814 1.00 21.12 C ATOM 124 O LYS A 9 -6.666 -17.299 -15.342 1.00 41.21 O ATOM 125 CB LYS A 9 -7.544 -14.297 -15.594 1.00 55.23 C ATOM 126 CG LYS A 9 -8.737 -14.734 -14.761 1.00 4.03 C ATOM 127 CD LYS A 9 -9.843 -13.693 -14.781 1.00 53.03 C ATOM 128 CE LYS A 9 -10.876 -13.999 -15.855 1.00 13.01 C ATOM 129 NZ LYS A 9 -11.805 -12.856 -16.073 1.00 12.41 N ATOM 0 H LYS A 9 -5.368 -13.191 -15.928 1.00 0.44 H new ATOM 0 HA LYS A 9 -6.225 -15.071 -14.083 1.00 32.23 H new ATOM 0 HB2 LYS A 9 -7.444 -13.214 -15.529 1.00 55.23 H new ATOM 0 HB3 LYS A 9 -7.734 -14.538 -16.640 1.00 55.23 H new ATOM 0 HG2 LYS A 9 -9.120 -15.681 -15.142 1.00 4.03 H new ATOM 0 HG3 LYS A 9 -8.419 -14.909 -13.733 1.00 4.03 H new ATOM 0 HD2 LYS A 9 -10.329 -13.658 -13.806 1.00 53.03 H new ATOM 0 HD3 LYS A 9 -9.413 -12.707 -14.958 1.00 53.03 H new ATOM 0 HE2 LYS A 9 -10.368 -14.238 -16.790 1.00 13.01 H new ATOM 0 HE3 LYS A 9 -11.447 -14.882 -15.568 1.00 13.01 H new ATOM 0 HZ1 LYS A 9 -12.493 -13.104 -16.812 1.00 12.41 H new ATOM 0 HZ2 LYS A 9 -12.308 -12.644 -15.188 1.00 12.41 H new ATOM 0 HZ3 LYS A 9 -11.263 -12.020 -16.371 1.00 12.41 H new ATOM 143 N SER A 10 -5.320 -16.384 -16.896 1.00 54.34 N ATOM 144 CA SER A 10 -5.109 -17.638 -17.610 1.00 53.53 C ATOM 145 C SER A 10 -4.469 -18.680 -16.699 1.00 63.32 C ATOM 146 O SER A 10 -4.871 -19.844 -16.688 1.00 51.21 O ATOM 147 CB SER A 10 -4.228 -17.407 -18.839 1.00 62.03 C ATOM 148 OG SER A 10 -4.506 -18.358 -19.852 1.00 73.03 O ATOM 0 H SER A 10 -4.833 -15.583 -17.298 1.00 54.34 H new ATOM 0 HA SER A 10 -6.080 -18.012 -17.934 1.00 53.53 H new ATOM 0 HB2 SER A 10 -4.393 -16.401 -19.225 1.00 62.03 H new ATOM 0 HB3 SER A 10 -3.178 -17.471 -18.555 1.00 62.03 H new ATOM 0 HG SER A 10 -3.931 -18.188 -20.627 1.00 73.03 H new ATOM 154 N LYS A 11 -3.468 -18.255 -15.935 1.00 53.45 N ATOM 155 CA LYS A 11 -2.771 -19.149 -15.019 1.00 43.20 C ATOM 156 C LYS A 11 -3.160 -18.858 -13.573 1.00 75.22 C ATOM 157 O LYS A 11 -2.884 -19.652 -12.675 1.00 10.22 O ATOM 158 CB LYS A 11 -1.256 -19.006 -15.189 1.00 34.33 C ATOM 159 CG LYS A 11 -0.645 -20.055 -16.102 1.00 34.13 C ATOM 160 CD LYS A 11 0.690 -19.596 -16.664 1.00 14.44 C ATOM 161 CE LYS A 11 1.573 -20.776 -17.037 1.00 22.13 C ATOM 162 NZ LYS A 11 2.868 -20.335 -17.627 1.00 35.42 N ATOM 0 H LYS A 11 -3.121 -17.296 -15.933 1.00 53.45 H new ATOM 0 HA LYS A 11 -3.063 -20.172 -15.257 1.00 43.20 H new ATOM 0 HB2 LYS A 11 -1.035 -18.016 -15.588 1.00 34.33 H new ATOM 0 HB3 LYS A 11 -0.781 -19.068 -14.210 1.00 34.33 H new ATOM 0 HG2 LYS A 11 -0.508 -20.984 -15.549 1.00 34.13 H new ATOM 0 HG3 LYS A 11 -1.331 -20.270 -16.921 1.00 34.13 H new ATOM 0 HD2 LYS A 11 0.521 -18.974 -17.543 1.00 14.44 H new ATOM 0 HD3 LYS A 11 1.202 -18.976 -15.928 1.00 14.44 H new ATOM 0 HE2 LYS A 11 1.765 -21.381 -16.151 1.00 22.13 H new ATOM 0 HE3 LYS A 11 1.047 -21.412 -17.749 1.00 22.13 H new ATOM 0 HZ1 LYS A 11 3.441 -21.168 -17.868 1.00 35.42 H new ATOM 0 HZ2 LYS A 11 2.686 -19.779 -18.487 1.00 35.42 H new ATOM 0 HZ3 LYS A 11 3.382 -19.749 -16.938 1.00 35.42 H new ATOM 176 N ASN A 12 -3.805 -17.716 -13.357 1.00 32.31 N ATOM 177 CA ASN A 12 -4.234 -17.322 -12.020 1.00 22.01 C ATOM 178 C ASN A 12 -3.033 -17.121 -11.101 1.00 22.13 C ATOM 179 O ASN A 12 -3.093 -17.424 -9.910 1.00 33.23 O ATOM 180 CB ASN A 12 -5.171 -18.378 -11.430 1.00 23.01 C ATOM 181 CG ASN A 12 -6.478 -17.783 -10.942 1.00 24.53 C ATOM 182 OD1 ASN A 12 -7.051 -16.905 -11.585 1.00 55.24 O ATOM 183 ND2 ASN A 12 -6.954 -18.261 -9.798 1.00 72.41 N ATOM 0 H ASN A 12 -4.042 -17.048 -14.090 1.00 32.31 H new ATOM 0 HA ASN A 12 -4.769 -16.376 -12.101 1.00 22.01 H new ATOM 0 HB2 ASN A 12 -5.380 -19.137 -12.184 1.00 23.01 H new ATOM 0 HB3 ASN A 12 -4.672 -18.881 -10.602 1.00 23.01 H new ATOM 0 HD21 ASN A 12 -7.829 -17.899 -9.419 1.00 72.41 H new ATOM 0 HD22 ASN A 12 -6.444 -18.990 -9.298 1.00 72.41 H new ATOM 190 N GLU A 13 -1.943 -16.608 -11.663 1.00 53.43 N ATOM 191 CA GLU A 13 -0.728 -16.367 -10.894 1.00 13.42 C ATOM 192 C GLU A 13 -0.152 -14.989 -11.205 1.00 45.51 C ATOM 193 O GLU A 13 -0.329 -14.462 -12.304 1.00 73.21 O ATOM 194 CB GLU A 13 0.314 -17.447 -11.192 1.00 15.20 C ATOM 195 CG GLU A 13 0.978 -17.293 -12.550 1.00 31.42 C ATOM 196 CD GLU A 13 1.786 -18.514 -12.945 1.00 43.10 C ATOM 197 OE1 GLU A 13 1.268 -19.641 -12.800 1.00 15.23 O ATOM 198 OE2 GLU A 13 2.937 -18.343 -13.399 1.00 12.21 O ATOM 0 H GLU A 13 -1.877 -16.351 -12.648 1.00 53.43 H new ATOM 0 HA GLU A 13 -0.985 -16.404 -9.835 1.00 13.42 H new ATOM 0 HB2 GLU A 13 1.081 -17.424 -10.417 1.00 15.20 H new ATOM 0 HB3 GLU A 13 -0.164 -18.425 -11.139 1.00 15.20 H new ATOM 0 HG2 GLU A 13 0.214 -17.107 -13.305 1.00 31.42 H new ATOM 0 HG3 GLU A 13 1.630 -16.420 -12.535 1.00 31.42 H new ATOM 205 N CYS A 14 0.540 -14.409 -10.229 1.00 53.15 N ATOM 206 CA CYS A 14 1.142 -13.092 -10.397 1.00 4.03 C ATOM 207 C CYS A 14 2.659 -13.164 -10.241 1.00 72.14 C ATOM 208 O CYS A 14 3.180 -14.010 -9.515 1.00 65.31 O ATOM 209 CB CYS A 14 0.561 -12.109 -9.379 1.00 13.20 C ATOM 210 SG CYS A 14 0.788 -10.357 -9.824 1.00 14.11 S ATOM 0 H CYS A 14 0.697 -14.831 -9.314 1.00 53.15 H new ATOM 0 HA CYS A 14 0.913 -12.741 -11.403 1.00 4.03 H new ATOM 0 HB2 CYS A 14 -0.504 -12.309 -9.264 1.00 13.20 H new ATOM 0 HB3 CYS A 14 1.025 -12.290 -8.410 1.00 13.20 H new ATOM 215 N LYS A 15 3.361 -12.270 -10.929 1.00 24.11 N ATOM 216 CA LYS A 15 4.818 -12.230 -10.868 1.00 14.44 C ATOM 217 C LYS A 15 5.332 -10.811 -11.092 1.00 24.33 C ATOM 218 O LYS A 15 4.762 -10.050 -11.873 1.00 13.31 O ATOM 219 CB LYS A 15 5.419 -13.173 -11.912 1.00 1.21 C ATOM 220 CG LYS A 15 5.376 -12.621 -13.326 1.00 43.13 C ATOM 221 CD LYS A 15 3.953 -12.549 -13.854 1.00 62.21 C ATOM 222 CE LYS A 15 3.867 -13.035 -15.293 1.00 2.11 C ATOM 223 NZ LYS A 15 2.937 -12.202 -16.105 1.00 31.33 N ATOM 0 H LYS A 15 2.945 -11.563 -11.535 1.00 24.11 H new ATOM 0 HA LYS A 15 5.125 -12.556 -9.874 1.00 14.44 H new ATOM 0 HB2 LYS A 15 6.454 -13.385 -11.645 1.00 1.21 H new ATOM 0 HB3 LYS A 15 4.882 -14.121 -11.885 1.00 1.21 H new ATOM 0 HG2 LYS A 15 5.822 -11.627 -13.343 1.00 43.13 H new ATOM 0 HG3 LYS A 15 5.977 -13.251 -13.982 1.00 43.13 H new ATOM 0 HD2 LYS A 15 3.299 -13.153 -13.225 1.00 62.21 H new ATOM 0 HD3 LYS A 15 3.593 -11.522 -13.794 1.00 62.21 H new ATOM 0 HE2 LYS A 15 4.860 -13.015 -15.743 1.00 2.11 H new ATOM 0 HE3 LYS A 15 3.532 -14.072 -15.307 1.00 2.11 H new ATOM 0 HZ1 LYS A 15 2.906 -12.565 -17.079 1.00 31.33 H new ATOM 0 HZ2 LYS A 15 1.984 -12.241 -15.690 1.00 31.33 H new ATOM 0 HZ3 LYS A 15 3.271 -11.217 -16.113 1.00 31.33 H new ATOM 237 N TYR A 16 6.414 -10.464 -10.403 1.00 51.23 N ATOM 238 CA TYR A 16 7.005 -9.137 -10.527 1.00 12.42 C ATOM 239 C TYR A 16 8.521 -9.198 -10.366 1.00 53.01 C ATOM 240 O TYR A 16 9.072 -10.216 -9.948 1.00 64.34 O ATOM 241 CB TYR A 16 6.408 -8.191 -9.483 1.00 40.55 C ATOM 242 CG TYR A 16 6.797 -8.533 -8.063 1.00 41.30 C ATOM 243 CD1 TYR A 16 7.698 -7.743 -7.359 1.00 50.44 C ATOM 244 CD2 TYR A 16 6.265 -9.646 -7.425 1.00 20.21 C ATOM 245 CE1 TYR A 16 8.057 -8.052 -6.062 1.00 1.54 C ATOM 246 CE2 TYR A 16 6.617 -9.962 -6.127 1.00 2.10 C ATOM 247 CZ TYR A 16 7.514 -9.162 -5.450 1.00 14.23 C ATOM 248 OH TYR A 16 7.868 -9.474 -4.157 1.00 41.31 O ATOM 0 H TYR A 16 6.899 -11.083 -9.753 1.00 51.23 H new ATOM 0 HA TYR A 16 6.779 -8.758 -11.524 1.00 12.42 H new ATOM 0 HB2 TYR A 16 6.728 -7.172 -9.703 1.00 40.55 H new ATOM 0 HB3 TYR A 16 5.321 -8.209 -9.568 1.00 40.55 H new ATOM 0 HD1 TYR A 16 8.125 -6.872 -7.835 1.00 50.44 H new ATOM 0 HD2 TYR A 16 5.564 -10.275 -7.953 1.00 20.21 H new ATOM 0 HE1 TYR A 16 8.759 -7.428 -5.530 1.00 1.54 H new ATOM 0 HE2 TYR A 16 6.192 -10.830 -5.645 1.00 2.10 H new ATOM 0 HH TYR A 16 8.086 -8.652 -3.670 1.00 41.31 H new ATOM 258 N LYS A 17 9.189 -8.100 -10.700 1.00 44.44 N ATOM 259 CA LYS A 17 10.642 -8.025 -10.592 1.00 55.45 C ATOM 260 C LYS A 17 11.061 -7.581 -9.194 1.00 60.55 C ATOM 261 O LYS A 17 10.824 -6.442 -8.797 1.00 51.55 O ATOM 262 CB LYS A 17 11.202 -7.055 -11.636 1.00 33.42 C ATOM 263 CG LYS A 17 12.719 -7.043 -11.701 1.00 42.43 C ATOM 264 CD LYS A 17 13.220 -6.214 -12.873 1.00 32.24 C ATOM 265 CE LYS A 17 14.352 -6.915 -13.607 1.00 62.14 C ATOM 266 NZ LYS A 17 13.963 -7.294 -14.994 1.00 21.11 N ATOM 0 H LYS A 17 8.748 -7.249 -11.048 1.00 44.44 H new ATOM 0 HA LYS A 17 11.047 -9.020 -10.775 1.00 55.45 H new ATOM 0 HB2 LYS A 17 10.807 -7.321 -12.616 1.00 33.42 H new ATOM 0 HB3 LYS A 17 10.848 -6.049 -11.412 1.00 33.42 H new ATOM 0 HG2 LYS A 17 13.121 -6.641 -10.771 1.00 42.43 H new ATOM 0 HG3 LYS A 17 13.088 -8.064 -11.792 1.00 42.43 H new ATOM 0 HD2 LYS A 17 12.399 -6.025 -13.564 1.00 32.24 H new ATOM 0 HD3 LYS A 17 13.563 -5.244 -12.514 1.00 32.24 H new ATOM 0 HE2 LYS A 17 15.223 -6.261 -13.640 1.00 62.14 H new ATOM 0 HE3 LYS A 17 14.645 -7.808 -13.055 1.00 62.14 H new ATOM 0 HZ1 LYS A 17 14.762 -7.769 -15.461 1.00 21.11 H new ATOM 0 HZ2 LYS A 17 13.147 -7.938 -14.962 1.00 21.11 H new ATOM 0 HZ3 LYS A 17 13.708 -6.439 -15.529 1.00 21.11 H new ATOM 280 N ASN A 18 11.687 -8.490 -8.453 1.00 72.24 N ATOM 281 CA ASN A 18 12.140 -8.192 -7.100 1.00 3.12 C ATOM 282 C ASN A 18 13.563 -7.642 -7.112 1.00 24.04 C ATOM 283 O ASN A 18 14.177 -7.502 -8.169 1.00 60.35 O ATOM 284 CB ASN A 18 12.074 -9.448 -6.229 1.00 62.30 C ATOM 285 CG ASN A 18 13.017 -10.535 -6.709 1.00 42.40 C ATOM 286 OD1 ASN A 18 13.261 -10.676 -7.908 1.00 15.15 O ATOM 287 ND2 ASN A 18 13.553 -11.309 -5.773 1.00 0.14 N ATOM 0 H ASN A 18 11.892 -9.439 -8.767 1.00 72.24 H new ATOM 0 HA ASN A 18 11.479 -7.433 -6.681 1.00 3.12 H new ATOM 0 HB2 ASN A 18 12.319 -9.186 -5.200 1.00 62.30 H new ATOM 0 HB3 ASN A 18 11.054 -9.831 -6.226 1.00 62.30 H new ATOM 0 HD21 ASN A 18 14.195 -12.057 -6.036 1.00 0.14 H new ATOM 0 HD22 ASN A 18 13.322 -11.156 -4.791 1.00 0.14 H new ATOM 294 N SER A 19 14.082 -7.332 -5.928 1.00 21.44 N ATOM 295 CA SER A 19 15.432 -6.795 -5.801 1.00 53.24 C ATOM 296 C SER A 19 16.474 -7.865 -6.111 1.00 30.22 C ATOM 297 O SER A 19 17.515 -7.581 -6.703 1.00 12.15 O ATOM 298 CB SER A 19 15.654 -6.243 -4.392 1.00 11.20 C ATOM 299 OG SER A 19 16.603 -5.190 -4.400 1.00 75.12 O ATOM 0 H SER A 19 13.588 -7.444 -5.043 1.00 21.44 H new ATOM 0 HA SER A 19 15.543 -5.985 -6.522 1.00 53.24 H new ATOM 0 HB2 SER A 19 14.709 -5.882 -3.987 1.00 11.20 H new ATOM 0 HB3 SER A 19 15.998 -7.042 -3.735 1.00 11.20 H new ATOM 0 HG SER A 19 16.726 -4.853 -3.488 1.00 75.12 H new ATOM 305 N ALA A 20 16.185 -9.098 -5.705 1.00 45.45 N ATOM 306 CA ALA A 20 17.096 -10.212 -5.940 1.00 54.33 C ATOM 307 C ALA A 20 17.317 -10.434 -7.433 1.00 24.14 C ATOM 308 O ALA A 20 18.340 -10.981 -7.843 1.00 41.23 O ATOM 309 CB ALA A 20 16.558 -11.478 -5.290 1.00 65.01 C ATOM 0 H ALA A 20 15.328 -9.350 -5.212 1.00 45.45 H new ATOM 0 HA ALA A 20 18.058 -9.966 -5.490 1.00 54.33 H new ATOM 0 HB1 ALA A 20 17.247 -12.302 -5.473 1.00 65.01 H new ATOM 0 HB2 ALA A 20 16.457 -11.321 -4.216 1.00 65.01 H new ATOM 0 HB3 ALA A 20 15.584 -11.719 -5.715 1.00 65.01 H new ATOM 315 N GLY A 21 16.351 -10.007 -8.240 1.00 43.11 N ATOM 316 CA GLY A 21 16.460 -10.170 -9.678 1.00 44.51 C ATOM 317 C GLY A 21 15.829 -11.459 -10.165 1.00 42.33 C ATOM 318 O GLY A 21 15.542 -11.608 -11.353 1.00 74.21 O ATOM 0 H GLY A 21 15.495 -9.551 -7.924 1.00 43.11 H new ATOM 0 HA2 GLY A 21 15.982 -9.325 -10.174 1.00 44.51 H new ATOM 0 HA3 GLY A 21 17.512 -10.153 -9.964 1.00 44.51 H new ATOM 322 N LYS A 22 15.614 -12.394 -9.247 1.00 21.32 N ATOM 323 CA LYS A 22 15.013 -13.678 -9.588 1.00 25.41 C ATOM 324 C LYS A 22 13.496 -13.561 -9.683 1.00 54.12 C ATOM 325 O LYS A 22 12.819 -13.308 -8.686 1.00 44.41 O ATOM 326 CB LYS A 22 15.389 -14.734 -8.545 1.00 45.33 C ATOM 327 CG LYS A 22 15.569 -16.125 -9.126 1.00 65.52 C ATOM 328 CD LYS A 22 15.812 -17.157 -8.037 1.00 63.13 C ATOM 329 CE LYS A 22 14.554 -17.958 -7.738 1.00 4.13 C ATOM 330 NZ LYS A 22 14.863 -19.233 -7.034 1.00 64.51 N ATOM 0 H LYS A 22 15.847 -12.287 -8.260 1.00 21.32 H new ATOM 0 HA LYS A 22 15.398 -13.983 -10.561 1.00 25.41 H new ATOM 0 HB2 LYS A 22 16.313 -14.433 -8.052 1.00 45.33 H new ATOM 0 HB3 LYS A 22 14.615 -14.767 -7.778 1.00 45.33 H new ATOM 0 HG2 LYS A 22 14.682 -16.399 -9.697 1.00 65.52 H new ATOM 0 HG3 LYS A 22 16.408 -16.124 -9.821 1.00 65.52 H new ATOM 0 HD2 LYS A 22 16.610 -17.832 -8.346 1.00 63.13 H new ATOM 0 HD3 LYS A 22 16.151 -16.657 -7.130 1.00 63.13 H new ATOM 0 HE2 LYS A 22 13.879 -17.359 -7.126 1.00 4.13 H new ATOM 0 HE3 LYS A 22 14.031 -18.175 -8.670 1.00 4.13 H new ATOM 0 HZ1 LYS A 22 13.980 -19.750 -6.848 1.00 64.51 H new ATOM 0 HZ2 LYS A 22 15.486 -19.816 -7.629 1.00 64.51 H new ATOM 0 HZ3 LYS A 22 15.339 -19.025 -6.133 1.00 64.51 H new ATOM 344 N ASP A 23 12.967 -13.748 -10.887 1.00 51.45 N ATOM 345 CA ASP A 23 11.528 -13.665 -11.112 1.00 64.11 C ATOM 346 C ASP A 23 10.777 -14.608 -10.178 1.00 24.54 C ATOM 347 O ASP A 23 11.098 -15.794 -10.084 1.00 43.24 O ATOM 348 CB ASP A 23 11.198 -13.999 -12.568 1.00 31.14 C ATOM 349 CG ASP A 23 12.005 -15.171 -13.090 1.00 60.32 C ATOM 350 OD1 ASP A 23 13.059 -14.934 -13.717 1.00 50.01 O ATOM 351 OD2 ASP A 23 11.583 -16.326 -12.872 1.00 2.14 O ATOM 0 H ASP A 23 13.513 -13.958 -11.723 1.00 51.45 H new ATOM 0 HA ASP A 23 11.210 -12.644 -10.901 1.00 64.11 H new ATOM 0 HB2 ASP A 23 10.135 -14.226 -12.654 1.00 31.14 H new ATOM 0 HB3 ASP A 23 11.388 -13.125 -13.190 1.00 31.14 H new ATOM 356 N THR A 24 9.776 -14.074 -9.485 1.00 72.54 N ATOM 357 CA THR A 24 8.981 -14.867 -8.556 1.00 74.45 C ATOM 358 C THR A 24 7.513 -14.887 -8.967 1.00 72.44 C ATOM 359 O THR A 24 6.888 -13.839 -9.127 1.00 10.54 O ATOM 360 CB THR A 24 9.092 -14.327 -7.118 1.00 40.14 C ATOM 361 OG1 THR A 24 8.146 -14.989 -6.271 1.00 63.24 O ATOM 362 CG2 THR A 24 8.847 -12.826 -7.084 1.00 0.10 C ATOM 0 H THR A 24 9.497 -13.095 -9.550 1.00 72.54 H new ATOM 0 HA THR A 24 9.378 -15.882 -8.587 1.00 74.45 H new ATOM 0 HB THR A 24 10.101 -14.523 -6.757 1.00 40.14 H new ATOM 0 HG1 THR A 24 8.224 -14.641 -5.358 1.00 63.24 H new ATOM 0 HG21 THR A 24 8.930 -12.467 -6.058 1.00 0.10 H new ATOM 0 HG22 THR A 24 9.587 -12.322 -7.706 1.00 0.10 H new ATOM 0 HG23 THR A 24 7.848 -12.612 -7.463 1.00 0.10 H new ATOM 370 N PHE A 25 6.967 -16.087 -9.137 1.00 70.13 N ATOM 371 CA PHE A 25 5.571 -16.243 -9.530 1.00 64.42 C ATOM 372 C PHE A 25 4.858 -17.237 -8.619 1.00 33.34 C ATOM 373 O PHE A 25 5.452 -18.215 -8.163 1.00 51.01 O ATOM 374 CB PHE A 25 5.478 -16.710 -10.984 1.00 41.14 C ATOM 375 CG PHE A 25 6.027 -18.090 -11.207 1.00 74.34 C ATOM 376 CD1 PHE A 25 7.394 -18.305 -11.268 1.00 71.42 C ATOM 377 CD2 PHE A 25 5.175 -19.173 -11.357 1.00 14.22 C ATOM 378 CE1 PHE A 25 7.902 -19.574 -11.473 1.00 20.51 C ATOM 379 CE2 PHE A 25 5.677 -20.444 -11.561 1.00 72.03 C ATOM 380 CZ PHE A 25 7.042 -20.645 -11.621 1.00 1.03 C ATOM 0 H PHE A 25 7.470 -16.965 -9.009 1.00 70.13 H new ATOM 0 HA PHE A 25 5.082 -15.274 -9.435 1.00 64.42 H new ATOM 0 HB2 PHE A 25 4.435 -16.688 -11.298 1.00 41.14 H new ATOM 0 HB3 PHE A 25 6.017 -16.006 -11.618 1.00 41.14 H new ATOM 0 HD1 PHE A 25 8.071 -17.471 -11.154 1.00 71.42 H new ATOM 0 HD2 PHE A 25 4.107 -19.022 -11.314 1.00 14.22 H new ATOM 0 HE1 PHE A 25 8.970 -19.728 -11.517 1.00 20.51 H new ATOM 0 HE2 PHE A 25 5.002 -21.280 -11.673 1.00 72.03 H new ATOM 0 HZ PHE A 25 7.436 -21.637 -11.783 1.00 1.03 H new ATOM 390 N ILE A 26 3.581 -16.979 -8.357 1.00 31.43 N ATOM 391 CA ILE A 26 2.786 -17.851 -7.500 1.00 40.14 C ATOM 392 C ILE A 26 1.328 -17.878 -7.946 1.00 11.13 C ATOM 393 O ILE A 26 0.733 -16.837 -8.226 1.00 10.03 O ATOM 394 CB ILE A 26 2.853 -17.406 -6.027 1.00 61.24 C ATOM 395 CG1 ILE A 26 1.981 -18.314 -5.158 1.00 21.23 C ATOM 396 CG2 ILE A 26 2.416 -15.955 -5.892 1.00 24.23 C ATOM 397 CD1 ILE A 26 2.683 -18.818 -3.916 1.00 45.13 C ATOM 0 H ILE A 26 3.075 -16.174 -8.725 1.00 31.43 H new ATOM 0 HA ILE A 26 3.209 -18.852 -7.588 1.00 40.14 H new ATOM 0 HB ILE A 26 3.884 -17.488 -5.684 1.00 61.24 H new ATOM 0 HG12 ILE A 26 1.084 -17.769 -4.863 1.00 21.23 H new ATOM 0 HG13 ILE A 26 1.654 -19.167 -5.752 1.00 21.23 H new ATOM 0 HG21 ILE A 26 2.469 -15.655 -4.845 1.00 24.23 H new ATOM 0 HG22 ILE A 26 3.074 -15.320 -6.485 1.00 24.23 H new ATOM 0 HG23 ILE A 26 1.392 -15.849 -6.249 1.00 24.23 H new ATOM 0 HD11 ILE A 26 2.005 -19.455 -3.348 1.00 45.13 H new ATOM 0 HD12 ILE A 26 3.564 -19.391 -4.204 1.00 45.13 H new ATOM 0 HD13 ILE A 26 2.986 -17.971 -3.300 1.00 45.13 H new ATOM 409 N LYS A 27 0.756 -19.076 -8.007 1.00 40.45 N ATOM 410 CA LYS A 27 -0.634 -19.240 -8.415 1.00 71.24 C ATOM 411 C LYS A 27 -1.572 -19.106 -7.220 1.00 4.03 C ATOM 412 O LYS A 27 -1.211 -19.448 -6.093 1.00 65.23 O ATOM 413 CB LYS A 27 -0.833 -20.603 -9.083 1.00 14.12 C ATOM 414 CG LYS A 27 0.086 -20.840 -10.268 1.00 50.24 C ATOM 415 CD LYS A 27 0.563 -22.281 -10.325 1.00 20.42 C ATOM 416 CE LYS A 27 -0.550 -23.220 -10.764 1.00 34.25 C ATOM 417 NZ LYS A 27 -0.069 -24.231 -11.745 1.00 41.14 N ATOM 0 H LYS A 27 1.234 -19.948 -7.779 1.00 40.45 H new ATOM 0 HA LYS A 27 -0.872 -18.453 -9.130 1.00 71.24 H new ATOM 0 HB2 LYS A 27 -0.669 -21.388 -8.344 1.00 14.12 H new ATOM 0 HB3 LYS A 27 -1.868 -20.688 -9.414 1.00 14.12 H new ATOM 0 HG2 LYS A 27 -0.438 -20.593 -11.191 1.00 50.24 H new ATOM 0 HG3 LYS A 27 0.946 -20.174 -10.201 1.00 50.24 H new ATOM 0 HD2 LYS A 27 1.402 -22.361 -11.017 1.00 20.42 H new ATOM 0 HD3 LYS A 27 0.929 -22.583 -9.344 1.00 20.42 H new ATOM 0 HE2 LYS A 27 -0.962 -23.728 -9.892 1.00 34.25 H new ATOM 0 HE3 LYS A 27 -1.360 -22.641 -11.207 1.00 34.25 H new ATOM 0 HZ1 LYS A 27 -0.857 -24.851 -12.019 1.00 41.14 H new ATOM 0 HZ2 LYS A 27 0.301 -23.748 -12.589 1.00 41.14 H new ATOM 0 HZ3 LYS A 27 0.686 -24.801 -11.314 1.00 41.14 H new ATOM 431 N CYS A 28 -2.777 -18.607 -7.472 1.00 31.21 N ATOM 432 CA CYS A 28 -3.767 -18.429 -6.417 1.00 14.31 C ATOM 433 C CYS A 28 -5.006 -19.279 -6.684 1.00 51.11 C ATOM 434 O CYS A 28 -5.449 -19.435 -7.822 1.00 63.33 O ATOM 435 CB CYS A 28 -4.162 -16.955 -6.303 1.00 42.20 C ATOM 436 SG CYS A 28 -2.758 -15.799 -6.412 1.00 51.13 S ATOM 0 H CYS A 28 -3.092 -18.319 -8.398 1.00 31.21 H new ATOM 0 HA CYS A 28 -3.321 -18.753 -5.477 1.00 14.31 H new ATOM 0 HB2 CYS A 28 -4.875 -16.719 -7.092 1.00 42.20 H new ATOM 0 HB3 CYS A 28 -4.674 -16.799 -5.354 1.00 42.20 H new ATOM 441 N PRO A 29 -5.580 -19.842 -5.610 1.00 50.24 N ATOM 442 CA PRO A 29 -6.776 -20.685 -5.703 1.00 3.14 C ATOM 443 C PRO A 29 -8.021 -19.886 -6.071 1.00 71.15 C ATOM 444 O PRO A 29 -7.928 -18.751 -6.540 1.00 23.24 O ATOM 445 CB PRO A 29 -6.911 -21.265 -4.292 1.00 44.34 C ATOM 446 CG PRO A 29 -6.231 -20.276 -3.410 1.00 0.44 C ATOM 447 CD PRO A 29 -5.106 -19.698 -4.224 1.00 32.24 C ATOM 0 HA PRO A 29 -6.682 -21.441 -6.483 1.00 3.14 H new ATOM 0 HB2 PRO A 29 -7.957 -21.390 -4.014 1.00 44.34 H new ATOM 0 HB3 PRO A 29 -6.443 -22.247 -4.221 1.00 44.34 H new ATOM 0 HG2 PRO A 29 -6.923 -19.496 -3.092 1.00 0.44 H new ATOM 0 HG3 PRO A 29 -5.853 -20.754 -2.506 1.00 0.44 H new ATOM 0 HD2 PRO A 29 -4.920 -18.655 -3.969 1.00 32.24 H new ATOM 0 HD3 PRO A 29 -4.173 -20.237 -4.060 1.00 32.24 H new ATOM 455 N LYS A 30 -9.188 -20.485 -5.857 1.00 64.34 N ATOM 456 CA LYS A 30 -10.453 -19.830 -6.165 1.00 50.34 C ATOM 457 C LYS A 30 -11.169 -19.401 -4.888 1.00 45.25 C ATOM 458 O LYS A 30 -12.339 -19.019 -4.919 1.00 44.30 O ATOM 459 CB LYS A 30 -11.352 -20.766 -6.976 1.00 42.25 C ATOM 460 CG LYS A 30 -12.246 -20.042 -7.968 1.00 71.23 C ATOM 461 CD LYS A 30 -12.747 -20.979 -9.055 1.00 22.45 C ATOM 462 CE LYS A 30 -12.430 -20.444 -10.442 1.00 52.34 C ATOM 463 NZ LYS A 30 -10.982 -20.568 -10.768 1.00 74.20 N ATOM 0 H LYS A 30 -9.283 -21.424 -5.471 1.00 64.34 H new ATOM 0 HA LYS A 30 -10.238 -18.940 -6.757 1.00 50.34 H new ATOM 0 HB2 LYS A 30 -10.728 -21.479 -7.515 1.00 42.25 H new ATOM 0 HB3 LYS A 30 -11.975 -21.342 -6.291 1.00 42.25 H new ATOM 0 HG2 LYS A 30 -13.096 -19.606 -7.442 1.00 71.23 H new ATOM 0 HG3 LYS A 30 -11.695 -19.218 -8.422 1.00 71.23 H new ATOM 0 HD2 LYS A 30 -12.290 -21.961 -8.929 1.00 22.45 H new ATOM 0 HD3 LYS A 30 -13.824 -21.113 -8.953 1.00 22.45 H new ATOM 0 HE2 LYS A 30 -13.017 -20.987 -11.183 1.00 52.34 H new ATOM 0 HE3 LYS A 30 -12.728 -19.397 -10.504 1.00 52.34 H new ATOM 0 HZ1 LYS A 30 -10.807 -20.192 -11.722 1.00 74.20 H new ATOM 0 HZ2 LYS A 30 -10.423 -20.029 -10.076 1.00 74.20 H new ATOM 0 HZ3 LYS A 30 -10.703 -21.569 -10.734 1.00 74.20 H new ATOM 477 N PHE A 31 -10.458 -19.465 -3.767 1.00 60.13 N ATOM 478 CA PHE A 31 -11.025 -19.083 -2.480 1.00 14.34 C ATOM 479 C PHE A 31 -10.875 -17.583 -2.243 1.00 4.24 C ATOM 480 O PHE A 31 -10.203 -16.887 -3.005 1.00 75.42 O ATOM 481 CB PHE A 31 -10.348 -19.860 -1.349 1.00 0.31 C ATOM 482 CG PHE A 31 -11.287 -20.252 -0.244 1.00 53.14 C ATOM 483 CD1 PHE A 31 -12.343 -21.115 -0.489 1.00 15.41 C ATOM 484 CD2 PHE A 31 -11.114 -19.757 1.038 1.00 33.33 C ATOM 485 CE1 PHE A 31 -13.210 -21.478 0.525 1.00 5.13 C ATOM 486 CE2 PHE A 31 -11.977 -20.117 2.056 1.00 22.25 C ATOM 487 CZ PHE A 31 -13.026 -20.978 1.799 1.00 14.44 C ATOM 0 H PHE A 31 -9.488 -19.778 -3.724 1.00 60.13 H new ATOM 0 HA PHE A 31 -12.087 -19.326 -2.493 1.00 14.34 H new ATOM 0 HB2 PHE A 31 -9.889 -20.759 -1.761 1.00 0.31 H new ATOM 0 HB3 PHE A 31 -9.544 -19.253 -0.933 1.00 0.31 H new ATOM 0 HD1 PHE A 31 -12.491 -21.509 -1.484 1.00 15.41 H new ATOM 0 HD2 PHE A 31 -10.296 -19.083 1.244 1.00 33.33 H new ATOM 0 HE1 PHE A 31 -14.029 -22.151 0.321 1.00 5.13 H new ATOM 0 HE2 PHE A 31 -11.831 -19.725 3.052 1.00 22.25 H new ATOM 0 HZ PHE A 31 -13.701 -21.260 2.593 1.00 14.44 H new ATOM 497 N ASP A 32 -11.504 -17.092 -1.181 1.00 12.30 N ATOM 498 CA ASP A 32 -11.441 -15.675 -0.842 1.00 44.31 C ATOM 499 C ASP A 32 -9.995 -15.227 -0.649 1.00 12.41 C ATOM 500 O ASP A 32 -9.119 -16.036 -0.350 1.00 62.52 O ATOM 501 CB ASP A 32 -12.248 -15.395 0.426 1.00 32.03 C ATOM 502 CG ASP A 32 -13.372 -14.405 0.191 1.00 43.23 C ATOM 503 OD1 ASP A 32 -13.501 -13.453 0.989 1.00 54.00 O ATOM 504 OD2 ASP A 32 -14.121 -14.581 -0.793 1.00 21.25 O ATOM 0 H ASP A 32 -12.064 -17.654 -0.540 1.00 12.30 H new ATOM 0 HA ASP A 32 -11.871 -15.109 -1.669 1.00 44.31 H new ATOM 0 HB2 ASP A 32 -12.664 -16.330 0.802 1.00 32.03 H new ATOM 0 HB3 ASP A 32 -11.583 -15.008 1.198 1.00 32.03 H new ATOM 509 N ASN A 33 -9.754 -13.931 -0.823 1.00 34.13 N ATOM 510 CA ASN A 33 -8.415 -13.375 -0.669 1.00 62.30 C ATOM 511 C ASN A 33 -7.414 -14.115 -1.552 1.00 75.11 C ATOM 512 O ASN A 33 -6.209 -14.089 -1.301 1.00 14.00 O ATOM 513 CB ASN A 33 -7.974 -13.450 0.794 1.00 23.41 C ATOM 514 CG ASN A 33 -6.706 -12.661 1.057 1.00 64.22 C ATOM 515 OD1 ASN A 33 -6.201 -11.965 0.176 1.00 42.01 O ATOM 516 ND2 ASN A 33 -6.185 -12.767 2.274 1.00 65.13 N ATOM 0 H ASN A 33 -10.469 -13.247 -1.071 1.00 34.13 H new ATOM 0 HA ASN A 33 -8.444 -12.331 -0.980 1.00 62.30 H new ATOM 0 HB2 ASN A 33 -8.773 -13.071 1.431 1.00 23.41 H new ATOM 0 HB3 ASN A 33 -7.814 -14.492 1.069 1.00 23.41 H new ATOM 0 HD21 ASN A 33 -5.332 -12.260 2.510 1.00 65.13 H new ATOM 0 HD22 ASN A 33 -6.638 -13.356 2.973 1.00 65.13 H new ATOM 523 N LYS A 34 -7.922 -14.774 -2.588 1.00 33.20 N ATOM 524 CA LYS A 34 -7.075 -15.520 -3.511 1.00 20.23 C ATOM 525 C LYS A 34 -7.618 -15.441 -4.934 1.00 14.33 C ATOM 526 O LYS A 34 -7.503 -16.391 -5.708 1.00 21.23 O ATOM 527 CB LYS A 34 -6.974 -16.983 -3.073 1.00 64.12 C ATOM 528 CG LYS A 34 -6.046 -17.201 -1.890 1.00 71.33 C ATOM 529 CD LYS A 34 -6.799 -17.731 -0.681 1.00 52.44 C ATOM 530 CE LYS A 34 -5.994 -18.789 0.057 1.00 12.34 C ATOM 531 NZ LYS A 34 -6.800 -19.462 1.113 1.00 0.25 N ATOM 0 H LYS A 34 -8.917 -14.807 -2.810 1.00 33.20 H new ATOM 0 HA LYS A 34 -6.081 -15.072 -3.495 1.00 20.23 H new ATOM 0 HB2 LYS A 34 -7.969 -17.346 -2.815 1.00 64.12 H new ATOM 0 HB3 LYS A 34 -6.624 -17.582 -3.914 1.00 64.12 H new ATOM 0 HG2 LYS A 34 -5.260 -17.904 -2.167 1.00 71.33 H new ATOM 0 HG3 LYS A 34 -5.557 -16.262 -1.632 1.00 71.33 H new ATOM 0 HD2 LYS A 34 -7.027 -16.908 -0.004 1.00 52.44 H new ATOM 0 HD3 LYS A 34 -7.751 -18.154 -1.001 1.00 52.44 H new ATOM 0 HE2 LYS A 34 -5.633 -19.532 -0.654 1.00 12.34 H new ATOM 0 HE3 LYS A 34 -5.116 -18.328 0.509 1.00 12.34 H new ATOM 0 HZ1 LYS A 34 -6.216 -20.176 1.593 1.00 0.25 H new ATOM 0 HZ2 LYS A 34 -7.123 -18.757 1.805 1.00 0.25 H new ATOM 0 HZ3 LYS A 34 -7.624 -19.924 0.679 1.00 0.25 H new ATOM 545 N LYS A 35 -8.210 -14.301 -5.273 1.00 53.43 N ATOM 546 CA LYS A 35 -8.769 -14.095 -6.604 1.00 75.01 C ATOM 547 C LYS A 35 -7.733 -13.482 -7.541 1.00 14.22 C ATOM 548 O LYS A 35 -6.845 -12.749 -7.106 1.00 3.15 O ATOM 549 CB LYS A 35 -10.002 -13.191 -6.528 1.00 20.11 C ATOM 550 CG LYS A 35 -9.669 -11.709 -6.506 1.00 31.33 C ATOM 551 CD LYS A 35 -10.920 -10.859 -6.359 1.00 42.14 C ATOM 552 CE LYS A 35 -11.475 -10.447 -7.714 1.00 52.21 C ATOM 553 NZ LYS A 35 -12.870 -9.935 -7.610 1.00 21.55 N ATOM 0 H LYS A 35 -8.315 -13.505 -4.644 1.00 53.43 H new ATOM 0 HA LYS A 35 -9.062 -15.067 -7.001 1.00 75.01 H new ATOM 0 HB2 LYS A 35 -10.647 -13.397 -7.382 1.00 20.11 H new ATOM 0 HB3 LYS A 35 -10.570 -13.440 -5.632 1.00 20.11 H new ATOM 0 HG2 LYS A 35 -8.987 -11.500 -5.681 1.00 31.33 H new ATOM 0 HG3 LYS A 35 -9.150 -11.438 -7.425 1.00 31.33 H new ATOM 0 HD2 LYS A 35 -11.678 -11.417 -5.808 1.00 42.14 H new ATOM 0 HD3 LYS A 35 -10.690 -9.969 -5.773 1.00 42.14 H new ATOM 0 HE2 LYS A 35 -10.837 -9.677 -8.149 1.00 52.21 H new ATOM 0 HE3 LYS A 35 -11.451 -11.301 -8.391 1.00 52.21 H new ATOM 0 HZ1 LYS A 35 -13.212 -9.665 -8.554 1.00 21.55 H new ATOM 0 HZ2 LYS A 35 -13.484 -10.678 -7.219 1.00 21.55 H new ATOM 0 HZ3 LYS A 35 -12.889 -9.105 -6.984 1.00 21.55 H new ATOM 567 N CYS A 36 -7.854 -13.785 -8.829 1.00 12.21 N ATOM 568 CA CYS A 36 -6.929 -13.263 -9.828 1.00 13.13 C ATOM 569 C CYS A 36 -7.678 -12.499 -10.916 1.00 11.53 C ATOM 570 O CYS A 36 -8.696 -12.964 -11.429 1.00 51.14 O ATOM 571 CB CYS A 36 -6.124 -14.404 -10.453 1.00 10.31 C ATOM 572 SG CYS A 36 -4.374 -14.000 -10.755 1.00 43.44 S ATOM 0 H CYS A 36 -8.584 -14.390 -9.206 1.00 12.21 H new ATOM 0 HA CYS A 36 -6.246 -12.575 -9.330 1.00 13.13 H new ATOM 0 HB2 CYS A 36 -6.177 -15.273 -9.798 1.00 10.31 H new ATOM 0 HB3 CYS A 36 -6.589 -14.688 -11.397 1.00 10.31 H new ATOM 577 N THR A 37 -7.167 -11.322 -11.263 1.00 43.51 N ATOM 578 CA THR A 37 -7.786 -10.492 -12.289 1.00 12.34 C ATOM 579 C THR A 37 -6.749 -9.976 -13.280 1.00 20.43 C ATOM 580 O THR A 37 -5.590 -10.390 -13.253 1.00 24.14 O ATOM 581 CB THR A 37 -8.528 -9.292 -11.669 1.00 25.34 C ATOM 582 OG1 THR A 37 -7.585 -8.310 -11.225 1.00 41.34 O ATOM 583 CG2 THR A 37 -9.392 -9.737 -10.499 1.00 14.43 C ATOM 0 H THR A 37 -6.325 -10.922 -10.848 1.00 43.51 H new ATOM 0 HA THR A 37 -8.504 -11.122 -12.814 1.00 12.34 H new ATOM 0 HB THR A 37 -9.173 -8.857 -12.433 1.00 25.34 H new ATOM 0 HG1 THR A 37 -7.582 -8.278 -10.246 1.00 41.34 H new ATOM 0 HG21 THR A 37 -9.906 -8.873 -10.077 1.00 14.43 H new ATOM 0 HG22 THR A 37 -10.127 -10.464 -10.845 1.00 14.43 H new ATOM 0 HG23 THR A 37 -8.763 -10.193 -9.735 1.00 14.43 H new ATOM 591 N LYS A 38 -7.172 -9.070 -14.154 1.00 73.24 N ATOM 592 CA LYS A 38 -6.280 -8.496 -15.154 1.00 42.31 C ATOM 593 C LYS A 38 -4.948 -8.093 -14.528 1.00 34.42 C ATOM 594 O LYS A 38 -4.911 -7.335 -13.559 1.00 14.21 O ATOM 595 CB LYS A 38 -6.934 -7.279 -15.813 1.00 20.13 C ATOM 596 CG LYS A 38 -7.161 -7.444 -17.305 1.00 75.33 C ATOM 597 CD LYS A 38 -7.486 -6.117 -17.970 1.00 75.22 C ATOM 598 CE LYS A 38 -8.988 -5.895 -18.067 1.00 31.22 C ATOM 599 NZ LYS A 38 -9.319 -4.483 -18.404 1.00 14.03 N ATOM 0 H LYS A 38 -8.128 -8.717 -14.190 1.00 73.24 H new ATOM 0 HA LYS A 38 -6.090 -9.255 -15.913 1.00 42.31 H new ATOM 0 HB2 LYS A 38 -7.890 -7.084 -15.328 1.00 20.13 H new ATOM 0 HB3 LYS A 38 -6.307 -6.404 -15.644 1.00 20.13 H new ATOM 0 HG2 LYS A 38 -6.271 -7.874 -17.764 1.00 75.33 H new ATOM 0 HG3 LYS A 38 -7.977 -8.146 -17.474 1.00 75.33 H new ATOM 0 HD2 LYS A 38 -7.033 -5.304 -17.403 1.00 75.22 H new ATOM 0 HD3 LYS A 38 -7.048 -6.092 -18.968 1.00 75.22 H new ATOM 0 HE2 LYS A 38 -9.405 -6.557 -18.826 1.00 31.22 H new ATOM 0 HE3 LYS A 38 -9.457 -6.162 -17.120 1.00 31.22 H new ATOM 0 HZ1 LYS A 38 -10.352 -4.373 -18.461 1.00 14.03 H new ATOM 0 HZ2 LYS A 38 -8.944 -3.853 -17.667 1.00 14.03 H new ATOM 0 HZ3 LYS A 38 -8.893 -4.236 -19.320 1.00 14.03 H new ATOM 613 N ASP A 39 -3.858 -8.605 -15.088 1.00 21.01 N ATOM 614 CA ASP A 39 -2.524 -8.297 -14.586 1.00 1.23 C ATOM 615 C ASP A 39 -2.345 -6.792 -14.407 1.00 63.40 C ATOM 616 O ASP A 39 -1.863 -6.334 -13.372 1.00 40.43 O ATOM 617 CB ASP A 39 -1.459 -8.840 -15.539 1.00 64.13 C ATOM 618 CG ASP A 39 -2.022 -9.176 -16.906 1.00 71.10 C ATOM 619 OD1 ASP A 39 -2.422 -8.240 -17.630 1.00 30.02 O ATOM 620 OD2 ASP A 39 -2.062 -10.375 -17.252 1.00 74.12 O ATOM 0 H ASP A 39 -3.872 -9.235 -15.890 1.00 21.01 H new ATOM 0 HA ASP A 39 -2.409 -8.777 -13.614 1.00 1.23 H new ATOM 0 HB2 ASP A 39 -0.664 -8.103 -15.648 1.00 64.13 H new ATOM 0 HB3 ASP A 39 -1.009 -9.733 -15.105 1.00 64.13 H new ATOM 625 N ASN A 40 -2.735 -6.030 -15.423 1.00 71.35 N ATOM 626 CA ASN A 40 -2.616 -4.577 -15.379 1.00 60.42 C ATOM 627 C ASN A 40 -3.722 -3.967 -14.524 1.00 1.32 C ATOM 628 O ASN A 40 -3.690 -2.779 -14.206 1.00 54.45 O ATOM 629 CB ASN A 40 -2.671 -3.997 -16.794 1.00 23.02 C ATOM 630 CG ASN A 40 -1.832 -4.790 -17.777 1.00 64.10 C ATOM 631 OD1 ASN A 40 -2.207 -4.956 -18.938 1.00 24.12 O ATOM 632 ND2 ASN A 40 -0.689 -5.285 -17.315 1.00 50.21 N ATOM 0 H ASN A 40 -3.136 -6.394 -16.287 1.00 71.35 H new ATOM 0 HA ASN A 40 -1.655 -4.329 -14.929 1.00 60.42 H new ATOM 0 HB2 ASN A 40 -3.706 -3.978 -17.136 1.00 23.02 H new ATOM 0 HB3 ASN A 40 -2.323 -2.964 -16.774 1.00 23.02 H new ATOM 0 HD21 ASN A 40 -0.083 -5.827 -17.930 1.00 50.21 H new ATOM 0 HD22 ASN A 40 -0.418 -5.123 -16.345 1.00 50.21 H new ATOM 639 N ASN A 41 -4.698 -4.789 -14.154 1.00 14.13 N ATOM 640 CA ASN A 41 -5.815 -4.330 -13.335 1.00 24.01 C ATOM 641 C ASN A 41 -5.315 -3.705 -12.036 1.00 14.03 C ATOM 642 O ASN A 41 -5.156 -2.488 -11.940 1.00 42.12 O ATOM 643 CB ASN A 41 -6.759 -5.493 -13.024 1.00 64.54 C ATOM 644 CG ASN A 41 -7.918 -5.077 -12.141 1.00 14.14 C ATOM 645 OD1 ASN A 41 -8.662 -4.152 -12.468 1.00 4.31 O ATOM 646 ND2 ASN A 41 -8.078 -5.760 -11.013 1.00 70.21 N ATOM 0 H ASN A 41 -4.739 -5.776 -14.408 1.00 14.13 H new ATOM 0 HA ASN A 41 -6.358 -3.571 -13.898 1.00 24.01 H new ATOM 0 HB2 ASN A 41 -7.146 -5.903 -13.957 1.00 64.54 H new ATOM 0 HB3 ASN A 41 -6.200 -6.290 -12.533 1.00 64.54 H new ATOM 0 HD21 ASN A 41 -8.841 -5.525 -10.378 1.00 70.21 H new ATOM 0 HD22 ASN A 41 -7.438 -6.519 -10.781 1.00 70.21 H new ATOM 653 N LYS A 42 -5.070 -4.546 -11.037 1.00 64.21 N ATOM 654 CA LYS A 42 -4.586 -4.078 -9.743 1.00 75.53 C ATOM 655 C LYS A 42 -3.773 -5.162 -9.043 1.00 5.45 C ATOM 656 O LYS A 42 -3.905 -5.369 -7.836 1.00 3.21 O ATOM 657 CB LYS A 42 -5.762 -3.657 -8.859 1.00 50.40 C ATOM 658 CG LYS A 42 -6.309 -2.279 -9.190 1.00 43.25 C ATOM 659 CD LYS A 42 -7.388 -1.856 -8.208 1.00 72.03 C ATOM 660 CE LYS A 42 -8.709 -1.587 -8.913 1.00 61.43 C ATOM 661 NZ LYS A 42 -9.460 -0.470 -8.277 1.00 42.44 N ATOM 0 H LYS A 42 -5.199 -5.556 -11.098 1.00 64.21 H new ATOM 0 HA LYS A 42 -3.940 -3.217 -9.913 1.00 75.53 H new ATOM 0 HB2 LYS A 42 -6.562 -4.390 -8.960 1.00 50.40 H new ATOM 0 HB3 LYS A 42 -5.445 -3.672 -7.816 1.00 50.40 H new ATOM 0 HG2 LYS A 42 -5.497 -1.551 -9.176 1.00 43.25 H new ATOM 0 HG3 LYS A 42 -6.717 -2.282 -10.201 1.00 43.25 H new ATOM 0 HD2 LYS A 42 -7.526 -2.636 -7.459 1.00 72.03 H new ATOM 0 HD3 LYS A 42 -7.068 -0.959 -7.678 1.00 72.03 H new ATOM 0 HE2 LYS A 42 -8.520 -1.348 -9.960 1.00 61.43 H new ATOM 0 HE3 LYS A 42 -9.319 -2.490 -8.898 1.00 61.43 H new ATOM 0 HZ1 LYS A 42 -10.354 -0.318 -8.787 1.00 42.44 H new ATOM 0 HZ2 LYS A 42 -9.663 -0.708 -7.285 1.00 42.44 H new ATOM 0 HZ3 LYS A 42 -8.889 0.398 -8.314 1.00 42.44 H new ATOM 675 N CYS A 43 -2.930 -5.849 -9.806 1.00 3.01 N ATOM 676 CA CYS A 43 -2.093 -6.910 -9.259 1.00 31.14 C ATOM 677 C CYS A 43 -0.881 -6.329 -8.535 1.00 74.24 C ATOM 678 O CYS A 43 -0.150 -5.506 -9.087 1.00 70.21 O ATOM 679 CB CYS A 43 -1.633 -7.851 -10.373 1.00 65.35 C ATOM 680 SG CYS A 43 -0.335 -9.025 -9.867 1.00 21.22 S ATOM 0 H CYS A 43 -2.808 -5.690 -10.806 1.00 3.01 H new ATOM 0 HA CYS A 43 -2.688 -7.473 -8.540 1.00 31.14 H new ATOM 0 HB2 CYS A 43 -2.493 -8.412 -10.738 1.00 65.35 H new ATOM 0 HB3 CYS A 43 -1.264 -7.255 -11.208 1.00 65.35 H new ATOM 685 N THR A 44 -0.674 -6.764 -7.296 1.00 54.31 N ATOM 686 CA THR A 44 0.447 -6.287 -6.496 1.00 70.15 C ATOM 687 C THR A 44 0.906 -7.350 -5.505 1.00 12.25 C ATOM 688 O THR A 44 0.180 -8.302 -5.219 1.00 74.13 O ATOM 689 CB THR A 44 0.082 -5.005 -5.725 1.00 42.43 C ATOM 690 OG1 THR A 44 -1.332 -4.786 -5.780 1.00 1.42 O ATOM 691 CG2 THR A 44 0.810 -3.800 -6.303 1.00 73.24 C ATOM 0 H THR A 44 -1.268 -7.446 -6.825 1.00 54.31 H new ATOM 0 HA THR A 44 1.259 -6.066 -7.189 1.00 70.15 H new ATOM 0 HB THR A 44 0.389 -5.132 -4.687 1.00 42.43 H new ATOM 0 HG1 THR A 44 -1.556 -3.970 -5.286 1.00 1.42 H new ATOM 0 HG21 THR A 44 0.536 -2.906 -5.742 1.00 73.24 H new ATOM 0 HG22 THR A 44 1.886 -3.957 -6.233 1.00 73.24 H new ATOM 0 HG23 THR A 44 0.529 -3.672 -7.348 1.00 73.24 H new ATOM 699 N VAL A 45 2.116 -7.181 -4.981 1.00 13.34 N ATOM 700 CA VAL A 45 2.671 -8.125 -4.018 1.00 51.13 C ATOM 701 C VAL A 45 2.676 -7.537 -2.612 1.00 2.13 C ATOM 702 O VAL A 45 3.340 -6.533 -2.350 1.00 34.31 O ATOM 703 CB VAL A 45 4.107 -8.534 -4.397 1.00 53.24 C ATOM 704 CG1 VAL A 45 4.977 -7.303 -4.599 1.00 1.33 C ATOM 705 CG2 VAL A 45 4.698 -9.447 -3.334 1.00 64.15 C ATOM 0 H VAL A 45 2.731 -6.399 -5.207 1.00 13.34 H new ATOM 0 HA VAL A 45 2.033 -9.008 -4.037 1.00 51.13 H new ATOM 0 HB VAL A 45 4.074 -9.084 -5.338 1.00 53.24 H new ATOM 0 HG11 VAL A 45 5.988 -7.612 -4.866 1.00 1.33 H new ATOM 0 HG12 VAL A 45 4.561 -6.691 -5.399 1.00 1.33 H new ATOM 0 HG13 VAL A 45 5.007 -6.723 -3.677 1.00 1.33 H new ATOM 0 HG21 VAL A 45 5.713 -9.726 -3.618 1.00 64.15 H new ATOM 0 HG22 VAL A 45 4.719 -8.925 -2.377 1.00 64.15 H new ATOM 0 HG23 VAL A 45 4.086 -10.345 -3.244 1.00 64.15 H new ATOM 715 N ASP A 46 1.933 -8.168 -1.710 1.00 21.52 N ATOM 716 CA ASP A 46 1.853 -7.709 -0.328 1.00 70.10 C ATOM 717 C ASP A 46 1.884 -8.888 0.639 1.00 33.23 C ATOM 718 O ASP A 46 1.504 -10.005 0.287 1.00 70.45 O ATOM 719 CB ASP A 46 0.579 -6.890 -0.113 1.00 60.44 C ATOM 720 CG ASP A 46 0.474 -5.721 -1.073 1.00 33.13 C ATOM 721 OD1 ASP A 46 -0.542 -5.635 -1.795 1.00 0.05 O ATOM 722 OD2 ASP A 46 1.407 -4.892 -1.101 1.00 14.30 O ATOM 0 H ASP A 46 1.377 -8.999 -1.911 1.00 21.52 H new ATOM 0 HA ASP A 46 2.719 -7.078 -0.130 1.00 70.10 H new ATOM 0 HB2 ASP A 46 -0.290 -7.536 -0.236 1.00 60.44 H new ATOM 0 HB3 ASP A 46 0.558 -6.518 0.911 1.00 60.44 H new ATOM 727 N THR A 47 2.339 -8.633 1.862 1.00 44.31 N ATOM 728 CA THR A 47 2.422 -9.673 2.880 1.00 42.44 C ATOM 729 C THR A 47 2.031 -9.133 4.250 1.00 2.45 C ATOM 730 O THR A 47 2.187 -9.814 5.264 1.00 3.32 O ATOM 731 CB THR A 47 3.840 -10.268 2.960 1.00 25.03 C ATOM 732 OG1 THR A 47 4.774 -9.400 2.308 1.00 21.10 O ATOM 733 CG2 THR A 47 3.886 -11.646 2.317 1.00 4.20 C ATOM 0 H THR A 47 2.656 -7.714 2.172 1.00 44.31 H new ATOM 0 HA THR A 47 1.723 -10.457 2.589 1.00 42.44 H new ATOM 0 HB THR A 47 4.110 -10.366 4.012 1.00 25.03 H new ATOM 0 HG1 THR A 47 5.673 -9.785 2.365 1.00 21.10 H new ATOM 0 HG21 THR A 47 4.898 -12.046 2.386 1.00 4.20 H new ATOM 0 HG22 THR A 47 3.196 -12.312 2.835 1.00 4.20 H new ATOM 0 HG23 THR A 47 3.597 -11.568 1.269 1.00 4.20 H new ATOM 741 N TYR A 48 1.522 -7.906 4.275 1.00 41.04 N ATOM 742 CA TYR A 48 1.110 -7.274 5.522 1.00 2.13 C ATOM 743 C TYR A 48 -0.248 -7.799 5.977 1.00 72.34 C ATOM 744 O TYR A 48 -0.454 -8.081 7.156 1.00 12.43 O ATOM 745 CB TYR A 48 1.051 -5.755 5.354 1.00 45.33 C ATOM 746 CG TYR A 48 2.392 -5.075 5.520 1.00 53.21 C ATOM 747 CD1 TYR A 48 2.836 -4.670 6.773 1.00 45.25 C ATOM 748 CD2 TYR A 48 3.213 -4.837 4.425 1.00 52.52 C ATOM 749 CE1 TYR A 48 4.060 -4.048 6.929 1.00 11.43 C ATOM 750 CE2 TYR A 48 4.438 -4.216 4.572 1.00 23.43 C ATOM 751 CZ TYR A 48 4.857 -3.824 5.826 1.00 3.44 C ATOM 752 OH TYR A 48 6.077 -3.204 5.977 1.00 31.23 O ATOM 0 H TYR A 48 1.385 -7.329 3.445 1.00 41.04 H new ATOM 0 HA TYR A 48 1.849 -7.520 6.285 1.00 2.13 H new ATOM 0 HB2 TYR A 48 0.655 -5.522 4.366 1.00 45.33 H new ATOM 0 HB3 TYR A 48 0.352 -5.344 6.082 1.00 45.33 H new ATOM 0 HD1 TYR A 48 2.214 -4.844 7.639 1.00 45.25 H new ATOM 0 HD2 TYR A 48 2.888 -5.143 3.442 1.00 52.52 H new ATOM 0 HE1 TYR A 48 4.391 -3.739 7.910 1.00 11.43 H new ATOM 0 HE2 TYR A 48 5.064 -4.038 3.710 1.00 23.43 H new ATOM 0 HH TYR A 48 6.513 -3.123 5.103 1.00 31.23 H new ATOM 762 N ASN A 49 -1.172 -7.929 5.030 1.00 62.22 N ATOM 763 CA ASN A 49 -2.511 -8.421 5.331 1.00 14.21 C ATOM 764 C ASN A 49 -2.630 -9.907 5.010 1.00 73.54 C ATOM 765 O ASN A 49 -3.724 -10.470 5.022 1.00 13.13 O ATOM 766 CB ASN A 49 -3.557 -7.631 4.541 1.00 62.44 C ATOM 767 CG ASN A 49 -4.974 -7.958 4.970 1.00 72.12 C ATOM 768 OD1 ASN A 49 -5.301 -7.915 6.156 1.00 41.01 O ATOM 769 ND2 ASN A 49 -5.824 -8.287 4.004 1.00 64.43 N ATOM 0 H ASN A 49 -1.018 -7.700 4.048 1.00 62.22 H new ATOM 0 HA ASN A 49 -2.690 -8.283 6.397 1.00 14.21 H new ATOM 0 HB2 ASN A 49 -3.378 -6.564 4.672 1.00 62.44 H new ATOM 0 HB3 ASN A 49 -3.444 -7.845 3.478 1.00 62.44 H new ATOM 0 HD21 ASN A 49 -6.791 -8.517 4.232 1.00 64.43 H new ATOM 0 HD22 ASN A 49 -5.510 -8.310 3.034 1.00 64.43 H new ATOM 776 N ASN A 50 -1.496 -10.538 4.722 1.00 0.32 N ATOM 777 CA ASN A 50 -1.473 -11.959 4.397 1.00 24.33 C ATOM 778 C ASN A 50 -2.149 -12.222 3.055 1.00 2.21 C ATOM 779 O ASN A 50 -2.304 -13.370 2.641 1.00 71.11 O ATOM 780 CB ASN A 50 -2.166 -12.766 5.497 1.00 61.52 C ATOM 781 CG ASN A 50 -3.115 -13.809 4.938 1.00 52.43 C ATOM 782 OD1 ASN A 50 -2.755 -14.976 4.789 1.00 30.53 O ATOM 783 ND2 ASN A 50 -4.336 -13.389 4.624 1.00 24.43 N ATOM 0 H ASN A 50 -0.581 -10.087 4.707 1.00 0.32 H new ATOM 0 HA ASN A 50 -0.432 -12.273 4.326 1.00 24.33 H new ATOM 0 HB2 ASN A 50 -1.413 -13.257 6.113 1.00 61.52 H new ATOM 0 HB3 ASN A 50 -2.718 -12.088 6.148 1.00 61.52 H new ATOM 0 HD21 ASN A 50 -5.018 -14.044 4.242 1.00 24.43 H new ATOM 0 HD22 ASN A 50 -4.591 -12.411 4.765 1.00 24.43 H new ATOM 790 N ALA A 51 -2.548 -11.149 2.380 1.00 14.12 N ATOM 791 CA ALA A 51 -3.205 -11.263 1.084 1.00 52.40 C ATOM 792 C ALA A 51 -2.219 -11.699 0.005 1.00 14.24 C ATOM 793 O ALA A 51 -1.059 -11.287 0.007 1.00 12.03 O ATOM 794 CB ALA A 51 -3.855 -9.941 0.704 1.00 54.40 C ATOM 0 H ALA A 51 -2.428 -10.191 2.709 1.00 14.12 H new ATOM 0 HA ALA A 51 -3.979 -12.027 1.163 1.00 52.40 H new ATOM 0 HB1 ALA A 51 -4.342 -10.041 -0.266 1.00 54.40 H new ATOM 0 HB2 ALA A 51 -4.596 -9.671 1.456 1.00 54.40 H new ATOM 0 HB3 ALA A 51 -3.093 -9.163 0.649 1.00 54.40 H new ATOM 800 N VAL A 52 -2.688 -12.535 -0.915 1.00 73.41 N ATOM 801 CA VAL A 52 -1.848 -13.027 -2.000 1.00 62.31 C ATOM 802 C VAL A 52 -1.796 -12.029 -3.151 1.00 3.31 C ATOM 803 O VAL A 52 -2.688 -11.194 -3.303 1.00 22.01 O ATOM 804 CB VAL A 52 -2.354 -14.381 -2.532 1.00 63.33 C ATOM 805 CG1 VAL A 52 -2.501 -15.381 -1.395 1.00 41.13 C ATOM 806 CG2 VAL A 52 -3.672 -14.204 -3.271 1.00 65.03 C ATOM 0 H VAL A 52 -3.646 -12.886 -0.931 1.00 73.41 H new ATOM 0 HA VAL A 52 -0.846 -13.157 -1.590 1.00 62.31 H new ATOM 0 HB VAL A 52 -1.619 -14.773 -3.235 1.00 63.33 H new ATOM 0 HG11 VAL A 52 -2.859 -16.331 -1.790 1.00 41.13 H new ATOM 0 HG12 VAL A 52 -1.534 -15.530 -0.914 1.00 41.13 H new ATOM 0 HG13 VAL A 52 -3.215 -14.999 -0.665 1.00 41.13 H new ATOM 0 HG21 VAL A 52 -4.015 -15.171 -3.640 1.00 65.03 H new ATOM 0 HG22 VAL A 52 -4.417 -13.790 -2.592 1.00 65.03 H new ATOM 0 HG23 VAL A 52 -3.530 -13.525 -4.111 1.00 65.03 H new ATOM 816 N ASP A 53 -0.745 -12.120 -3.959 1.00 74.42 N ATOM 817 CA ASP A 53 -0.577 -11.226 -5.098 1.00 50.24 C ATOM 818 C ASP A 53 -1.309 -11.763 -6.324 1.00 63.43 C ATOM 819 O ASP A 53 -0.799 -12.631 -7.034 1.00 21.11 O ATOM 820 CB ASP A 53 0.908 -11.043 -5.415 1.00 41.41 C ATOM 821 CG ASP A 53 1.562 -12.326 -5.888 1.00 53.03 C ATOM 822 OD1 ASP A 53 2.525 -12.245 -6.680 1.00 31.05 O ATOM 823 OD2 ASP A 53 1.111 -13.411 -5.467 1.00 31.42 O ATOM 0 H ASP A 53 0.003 -12.804 -3.846 1.00 74.42 H new ATOM 0 HA ASP A 53 -1.007 -10.259 -4.836 1.00 50.24 H new ATOM 0 HB2 ASP A 53 1.021 -10.277 -6.182 1.00 41.41 H new ATOM 0 HB3 ASP A 53 1.424 -10.682 -4.526 1.00 41.41 H new ATOM 828 N CYS A 54 -2.507 -11.243 -6.567 1.00 70.22 N ATOM 829 CA CYS A 54 -3.311 -11.671 -7.706 1.00 25.11 C ATOM 830 C CYS A 54 -4.374 -10.630 -8.044 1.00 4.45 C ATOM 831 O CYS A 54 -5.215 -10.294 -7.210 1.00 52.21 O ATOM 832 CB CYS A 54 -3.975 -13.017 -7.411 1.00 32.13 C ATOM 833 SG CYS A 54 -2.964 -14.462 -7.868 1.00 11.21 S ATOM 0 H CYS A 54 -2.943 -10.524 -5.990 1.00 70.22 H new ATOM 0 HA CYS A 54 -2.649 -11.780 -8.565 1.00 25.11 H new ATOM 0 HB2 CYS A 54 -4.206 -13.071 -6.347 1.00 32.13 H new ATOM 0 HB3 CYS A 54 -4.923 -13.067 -7.946 1.00 32.13 H new ATOM 838 N ASP A 55 -4.328 -10.123 -9.271 1.00 15.03 N ATOM 839 CA ASP A 55 -5.288 -9.121 -9.720 1.00 1.21 C ATOM 840 C ASP A 55 -4.909 -8.585 -11.097 1.00 12.20 C ATOM 841 O ASP A 55 -4.440 -7.453 -11.226 1.00 23.22 O ATOM 842 CB ASP A 55 -5.365 -7.971 -8.715 1.00 2.34 C ATOM 843 CG ASP A 55 -6.637 -8.006 -7.891 1.00 1.04 C ATOM 844 OD1 ASP A 55 -7.731 -8.060 -8.490 1.00 73.42 O ATOM 845 OD2 ASP A 55 -6.538 -7.980 -6.646 1.00 71.12 O ATOM 0 H ASP A 55 -3.637 -10.389 -9.972 1.00 15.03 H new ATOM 0 HA ASP A 55 -6.266 -9.597 -9.791 1.00 1.21 H new ATOM 0 HB2 ASP A 55 -4.503 -8.016 -8.049 1.00 2.34 H new ATOM 0 HB3 ASP A 55 -5.307 -7.022 -9.248 1.00 2.34 H new TER 850 ASP A 55