USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 663 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= -1.04 (180deg=-1.07) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 42:sc= 0.15 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 9 GLN : amide:sc=-0.00187 X(o=-0.0019,f=-0.14) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -115:sc= -4.44 (180deg=-12.1!) USER MOD Single : A 18 LYS NZ :NH3+ -152:sc= -1.1 (180deg=-1.72!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= -2.65 (180deg=-2.81) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -72:sc=-0.00114 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.069 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -83:sc= 0.504 USER MOD Single : A 47 MET CE :methyl -178:sc= 0 (180deg=-0.00644) USER MOD Single : A 48 MET CE :methyl 136:sc= -3.23! (180deg=-6.29!) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.469 USER MOD Single : A 64 THR OG1 : rot -37:sc= 1.21 USER MOD Single : A 65 LYS NZ :NH3+ -156:sc= -0.175 (180deg=-0.776) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 172:sc= -0.728 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -1.63 X(o=-1.6,f=-2.1) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.882 -0.286 0.553 1.00 12.44 N ATOM 2 CA MET A 1 2.788 0.461 -0.058 1.00 63.32 C ATOM 3 C MET A 1 2.609 0.062 -1.520 1.00 14.04 C ATOM 4 O MET A 1 1.501 0.113 -2.055 1.00 23.31 O ATOM 5 CB MET A 1 3.049 1.965 0.044 1.00 61.31 C ATOM 6 CG MET A 1 4.331 2.407 -0.643 1.00 0.23 C ATOM 7 SD MET A 1 5.044 3.886 0.103 1.00 14.20 S ATOM 8 CE MET A 1 6.354 4.255 -1.061 1.00 71.31 C ATOM 0 H1 MET A 1 4.075 0.094 1.501 1.00 12.44 H new ATOM 0 H2 MET A 1 3.617 -1.289 0.629 1.00 12.44 H new ATOM 0 H3 MET A 1 4.735 -0.197 -0.036 1.00 12.44 H new ATOM 0 HA MET A 1 1.871 0.222 0.481 1.00 63.32 H new ATOM 0 HB2 MET A 1 2.208 2.502 -0.394 1.00 61.31 H new ATOM 0 HB3 MET A 1 3.094 2.247 1.096 1.00 61.31 H new ATOM 0 HG2 MET A 1 5.059 1.597 -0.601 1.00 0.23 H new ATOM 0 HG3 MET A 1 4.127 2.598 -1.696 1.00 0.23 H new ATOM 0 HE1 MET A 1 6.889 5.147 -0.736 1.00 71.31 H new ATOM 0 HE2 MET A 1 7.046 3.414 -1.109 1.00 71.31 H new ATOM 0 HE3 MET A 1 5.925 4.428 -2.048 1.00 71.31 H new ATOM 18 N SER A 2 3.704 -0.334 -2.159 1.00 43.15 N ATOM 19 CA SER A 2 3.668 -0.737 -3.560 1.00 71.23 C ATOM 20 C SER A 2 3.407 -2.235 -3.688 1.00 23.02 C ATOM 21 O SER A 2 4.114 -3.053 -3.098 1.00 63.24 O ATOM 22 CB SER A 2 4.984 -0.376 -4.251 1.00 63.43 C ATOM 23 OG SER A 2 5.042 1.008 -4.546 1.00 45.44 O ATOM 0 H SER A 2 4.628 -0.385 -1.729 1.00 43.15 H new ATOM 0 HA SER A 2 2.853 -0.201 -4.046 1.00 71.23 H new ATOM 0 HB2 SER A 2 5.822 -0.650 -3.610 1.00 63.43 H new ATOM 0 HB3 SER A 2 5.085 -0.952 -5.171 1.00 63.43 H new ATOM 0 HG SER A 2 5.893 1.213 -4.986 1.00 45.44 H new ATOM 29 N THR A 3 2.386 -2.588 -4.463 1.00 2.04 N ATOM 30 CA THR A 3 2.030 -3.986 -4.668 1.00 31.23 C ATOM 31 C THR A 3 1.423 -4.202 -6.049 1.00 40.03 C ATOM 32 O THR A 3 0.340 -3.698 -6.349 1.00 60.23 O ATOM 33 CB THR A 3 1.033 -4.474 -3.600 1.00 22.53 C ATOM 34 OG1 THR A 3 -0.020 -3.517 -3.438 1.00 25.40 O ATOM 35 CG2 THR A 3 1.733 -4.696 -2.267 1.00 41.03 C ATOM 0 H THR A 3 1.791 -1.924 -4.959 1.00 2.04 H new ATOM 0 HA THR A 3 2.952 -4.562 -4.585 1.00 31.23 H new ATOM 0 HB THR A 3 0.613 -5.423 -3.934 1.00 22.53 H new ATOM 0 HG1 THR A 3 -0.302 -3.189 -4.317 1.00 25.40 H new ATOM 0 HG21 THR A 3 1.009 -5.040 -1.529 1.00 41.03 H new ATOM 0 HG22 THR A 3 2.514 -5.447 -2.387 1.00 41.03 H new ATOM 0 HG23 THR A 3 2.178 -3.760 -1.930 1.00 41.03 H new ATOM 43 N THR A 4 2.127 -4.955 -6.889 1.00 0.10 N ATOM 44 CA THR A 4 1.658 -5.237 -8.240 1.00 33.25 C ATOM 45 C THR A 4 1.419 -3.949 -9.019 1.00 32.10 C ATOM 46 O THR A 4 0.413 -3.811 -9.715 1.00 72.11 O ATOM 47 CB THR A 4 0.357 -6.062 -8.221 1.00 53.44 C ATOM 48 OG1 THR A 4 0.439 -7.084 -7.222 1.00 74.12 O ATOM 49 CG2 THR A 4 0.097 -6.693 -9.581 1.00 24.43 C ATOM 0 H THR A 4 3.024 -5.381 -6.657 1.00 0.10 H new ATOM 0 HA THR A 4 2.440 -5.816 -8.732 1.00 33.25 H new ATOM 0 HB THR A 4 -0.469 -5.391 -7.986 1.00 53.44 H new ATOM 0 HG1 THR A 4 -0.393 -7.603 -7.215 1.00 74.12 H new ATOM 0 HG21 THR A 4 -0.827 -7.271 -9.544 1.00 24.43 H new ATOM 0 HG22 THR A 4 0.005 -5.910 -10.334 1.00 24.43 H new ATOM 0 HG23 THR A 4 0.926 -7.351 -9.841 1.00 24.43 H new ATOM 57 N ASP A 5 2.349 -3.009 -8.898 1.00 44.13 N ATOM 58 CA ASP A 5 2.241 -1.732 -9.594 1.00 13.44 C ATOM 59 C ASP A 5 3.241 -1.652 -10.743 1.00 13.32 C ATOM 60 O ASP A 5 2.969 -1.039 -11.776 1.00 34.33 O ATOM 61 CB ASP A 5 2.471 -0.575 -8.619 1.00 72.24 C ATOM 62 CG ASP A 5 1.865 0.725 -9.110 1.00 74.35 C ATOM 63 OD1 ASP A 5 0.634 0.764 -9.319 1.00 62.53 O ATOM 64 OD2 ASP A 5 2.621 1.703 -9.287 1.00 13.12 O ATOM 0 H ASP A 5 3.187 -3.107 -8.324 1.00 44.13 H new ATOM 0 HA ASP A 5 1.235 -1.655 -10.007 1.00 13.44 H new ATOM 0 HB2 ASP A 5 2.042 -0.829 -7.650 1.00 72.24 H new ATOM 0 HB3 ASP A 5 3.542 -0.439 -8.467 1.00 72.24 H new ATOM 69 N LYS A 6 4.400 -2.274 -10.556 1.00 10.52 N ATOM 70 CA LYS A 6 5.442 -2.274 -11.576 1.00 12.21 C ATOM 71 C LYS A 6 5.065 -3.186 -12.739 1.00 14.13 C ATOM 72 O LYS A 6 5.566 -3.027 -13.852 1.00 51.12 O ATOM 73 CB LYS A 6 6.775 -2.723 -10.973 1.00 34.32 C ATOM 74 CG LYS A 6 7.670 -1.572 -10.550 1.00 42.32 C ATOM 75 CD LYS A 6 8.422 -0.986 -11.734 1.00 73.30 C ATOM 76 CE LYS A 6 7.685 0.204 -12.329 1.00 32.03 C ATOM 77 NZ LYS A 6 8.613 1.143 -13.018 1.00 13.03 N ATOM 0 H LYS A 6 4.642 -2.785 -9.707 1.00 10.52 H new ATOM 0 HA LYS A 6 5.546 -1.257 -11.954 1.00 12.21 H new ATOM 0 HB2 LYS A 6 6.578 -3.356 -10.108 1.00 34.32 H new ATOM 0 HB3 LYS A 6 7.306 -3.336 -11.702 1.00 34.32 H new ATOM 0 HG2 LYS A 6 7.067 -0.795 -10.080 1.00 42.32 H new ATOM 0 HG3 LYS A 6 8.382 -1.920 -9.801 1.00 42.32 H new ATOM 0 HD2 LYS A 6 9.418 -0.677 -11.417 1.00 73.30 H new ATOM 0 HD3 LYS A 6 8.554 -1.752 -12.498 1.00 73.30 H new ATOM 0 HE2 LYS A 6 6.935 -0.150 -13.036 1.00 32.03 H new ATOM 0 HE3 LYS A 6 7.153 0.734 -11.539 1.00 32.03 H new ATOM 0 HZ1 LYS A 6 8.072 1.940 -13.410 1.00 13.03 H new ATOM 0 HZ2 LYS A 6 9.313 1.501 -12.337 1.00 13.03 H new ATOM 0 HZ3 LYS A 6 9.102 0.645 -13.789 1.00 13.03 H new ATOM 91 N ILE A 7 4.178 -4.139 -12.473 1.00 61.53 N ATOM 92 CA ILE A 7 3.733 -5.074 -13.499 1.00 35.52 C ATOM 93 C ILE A 7 2.925 -4.362 -14.578 1.00 73.34 C ATOM 94 O ILE A 7 3.064 -4.655 -15.765 1.00 51.04 O ATOM 95 CB ILE A 7 2.878 -6.206 -12.897 1.00 3.45 C ATOM 96 CG1 ILE A 7 3.606 -6.849 -11.714 1.00 74.33 C ATOM 97 CG2 ILE A 7 2.555 -7.247 -13.957 1.00 73.22 C ATOM 98 CD1 ILE A 7 2.788 -7.906 -11.005 1.00 64.41 C ATOM 0 H ILE A 7 3.754 -4.284 -11.557 1.00 61.53 H new ATOM 0 HA ILE A 7 4.630 -5.504 -13.944 1.00 35.52 H new ATOM 0 HB ILE A 7 1.941 -5.782 -12.536 1.00 3.45 H new ATOM 0 HG12 ILE A 7 4.534 -7.297 -12.069 1.00 74.33 H new ATOM 0 HG13 ILE A 7 3.879 -6.072 -11.000 1.00 74.33 H new ATOM 0 HG21 ILE A 7 1.951 -8.040 -13.516 1.00 73.22 H new ATOM 0 HG22 ILE A 7 2.001 -6.778 -14.770 1.00 73.22 H new ATOM 0 HG23 ILE A 7 3.481 -7.670 -14.345 1.00 73.22 H new ATOM 0 HD11 ILE A 7 3.365 -8.319 -10.178 1.00 64.41 H new ATOM 0 HD12 ILE A 7 1.871 -7.459 -10.620 1.00 64.41 H new ATOM 0 HD13 ILE A 7 2.537 -8.702 -11.706 1.00 64.41 H new ATOM 110 N GLU A 8 2.081 -3.425 -14.157 1.00 45.23 N ATOM 111 CA GLU A 8 1.252 -2.670 -15.089 1.00 40.13 C ATOM 112 C GLU A 8 2.114 -1.937 -16.114 1.00 14.04 C ATOM 113 O GLU A 8 1.752 -1.837 -17.286 1.00 34.44 O ATOM 114 CB GLU A 8 0.377 -1.668 -14.332 1.00 64.32 C ATOM 115 CG GLU A 8 -0.613 -0.933 -15.219 1.00 41.23 C ATOM 116 CD GLU A 8 -1.824 -1.777 -15.566 1.00 51.41 C ATOM 117 OE1 GLU A 8 -1.753 -2.542 -16.550 1.00 42.44 O ATOM 118 OE2 GLU A 8 -2.844 -1.672 -14.852 1.00 44.43 O ATOM 0 H GLU A 8 1.954 -3.171 -13.177 1.00 45.23 H new ATOM 0 HA GLU A 8 0.610 -3.375 -15.617 1.00 40.13 H new ATOM 0 HB2 GLU A 8 -0.170 -2.194 -13.550 1.00 64.32 H new ATOM 0 HB3 GLU A 8 1.019 -0.939 -13.837 1.00 64.32 H new ATOM 0 HG2 GLU A 8 -0.941 -0.024 -14.715 1.00 41.23 H new ATOM 0 HG3 GLU A 8 -0.113 -0.626 -16.138 1.00 41.23 H new ATOM 125 N GLN A 9 3.254 -1.426 -15.661 1.00 41.14 N ATOM 126 CA GLN A 9 4.166 -0.701 -16.538 1.00 64.10 C ATOM 127 C GLN A 9 5.160 -1.653 -17.197 1.00 12.45 C ATOM 128 O GLN A 9 5.747 -1.336 -18.232 1.00 33.25 O ATOM 129 CB GLN A 9 4.917 0.374 -15.751 1.00 2.33 C ATOM 130 CG GLN A 9 5.720 1.321 -16.628 1.00 5.02 C ATOM 131 CD GLN A 9 5.987 2.654 -15.957 1.00 30.15 C ATOM 132 OE1 GLN A 9 5.065 3.319 -15.483 1.00 21.11 O ATOM 133 NE2 GLN A 9 7.253 3.052 -15.912 1.00 20.12 N ATOM 0 H GLN A 9 3.568 -1.500 -14.693 1.00 41.14 H new ATOM 0 HA GLN A 9 3.575 -0.223 -17.320 1.00 64.10 H new ATOM 0 HB2 GLN A 9 4.201 0.952 -15.167 1.00 2.33 H new ATOM 0 HB3 GLN A 9 5.589 -0.110 -15.042 1.00 2.33 H new ATOM 0 HG2 GLN A 9 6.669 0.853 -16.887 1.00 5.02 H new ATOM 0 HG3 GLN A 9 5.182 1.490 -17.561 1.00 5.02 H new ATOM 0 HE21 GLN A 9 7.985 2.469 -16.317 1.00 20.12 H new ATOM 0 HE22 GLN A 9 7.493 3.940 -15.472 1.00 20.12 H new ATOM 142 N LYS A 10 5.344 -2.820 -16.590 1.00 24.23 N ATOM 143 CA LYS A 10 6.266 -3.820 -17.117 1.00 0.45 C ATOM 144 C LYS A 10 5.603 -4.647 -18.213 1.00 50.33 C ATOM 145 O LYS A 10 6.281 -5.279 -19.024 1.00 13.14 O ATOM 146 CB LYS A 10 6.751 -4.738 -15.993 1.00 22.41 C ATOM 147 CG LYS A 10 7.678 -5.844 -16.469 1.00 35.13 C ATOM 148 CD LYS A 10 8.126 -6.729 -15.318 1.00 64.20 C ATOM 149 CE LYS A 10 6.945 -7.414 -14.648 1.00 61.21 C ATOM 150 NZ LYS A 10 7.384 -8.378 -13.601 1.00 13.33 N ATOM 0 H LYS A 10 4.867 -3.097 -15.732 1.00 24.23 H new ATOM 0 HA LYS A 10 7.121 -3.299 -17.547 1.00 0.45 H new ATOM 0 HB2 LYS A 10 7.268 -4.139 -15.244 1.00 22.41 H new ATOM 0 HB3 LYS A 10 5.887 -5.186 -15.502 1.00 22.41 H new ATOM 0 HG2 LYS A 10 7.168 -6.450 -17.218 1.00 35.13 H new ATOM 0 HG3 LYS A 10 8.551 -5.406 -16.953 1.00 35.13 H new ATOM 0 HD2 LYS A 10 8.823 -7.482 -15.687 1.00 64.20 H new ATOM 0 HD3 LYS A 10 8.664 -6.129 -14.584 1.00 64.20 H new ATOM 0 HE2 LYS A 10 6.295 -6.662 -14.200 1.00 61.21 H new ATOM 0 HE3 LYS A 10 6.355 -7.938 -15.400 1.00 61.21 H new ATOM 0 HZ1 LYS A 10 6.550 -8.824 -13.168 1.00 13.33 H new ATOM 0 HZ2 LYS A 10 7.983 -9.110 -14.033 1.00 13.33 H new ATOM 0 HZ3 LYS A 10 7.926 -7.874 -12.870 1.00 13.33 H new ATOM 164 N VAL A 11 4.274 -4.637 -18.234 1.00 51.21 N ATOM 165 CA VAL A 11 3.519 -5.384 -19.233 1.00 43.02 C ATOM 166 C VAL A 11 4.014 -5.073 -20.641 1.00 62.23 C ATOM 167 O VAL A 11 3.951 -5.920 -21.533 1.00 65.10 O ATOM 168 CB VAL A 11 2.014 -5.071 -19.149 1.00 54.22 C ATOM 169 CG1 VAL A 11 1.743 -3.633 -19.565 1.00 40.04 C ATOM 170 CG2 VAL A 11 1.219 -6.042 -20.009 1.00 41.14 C ATOM 0 H VAL A 11 3.698 -4.120 -17.570 1.00 51.21 H new ATOM 0 HA VAL A 11 3.674 -6.442 -19.021 1.00 43.02 H new ATOM 0 HB VAL A 11 1.693 -5.191 -18.114 1.00 54.22 H new ATOM 0 HG11 VAL A 11 0.674 -3.430 -19.499 1.00 40.04 H new ATOM 0 HG12 VAL A 11 2.282 -2.955 -18.903 1.00 40.04 H new ATOM 0 HG13 VAL A 11 2.078 -3.482 -20.591 1.00 40.04 H new ATOM 0 HG21 VAL A 11 0.157 -5.806 -19.938 1.00 41.14 H new ATOM 0 HG22 VAL A 11 1.541 -5.956 -21.047 1.00 41.14 H new ATOM 0 HG23 VAL A 11 1.389 -7.060 -19.660 1.00 41.14 H new ATOM 180 N ILE A 12 4.506 -3.854 -20.834 1.00 24.12 N ATOM 181 CA ILE A 12 5.014 -3.432 -22.133 1.00 73.25 C ATOM 182 C ILE A 12 6.323 -4.138 -22.468 1.00 61.41 C ATOM 183 O ILE A 12 6.566 -4.504 -23.618 1.00 12.03 O ATOM 184 CB ILE A 12 5.238 -1.909 -22.183 1.00 33.20 C ATOM 185 CG1 ILE A 12 5.761 -1.493 -23.559 1.00 63.32 C ATOM 186 CG2 ILE A 12 6.205 -1.480 -21.090 1.00 64.42 C ATOM 187 CD1 ILE A 12 6.165 -0.038 -23.637 1.00 40.44 C ATOM 0 H ILE A 12 4.564 -3.141 -20.107 1.00 24.12 H new ATOM 0 HA ILE A 12 4.258 -3.704 -22.870 1.00 73.25 H new ATOM 0 HB ILE A 12 4.284 -1.410 -22.013 1.00 33.20 H new ATOM 0 HG12 ILE A 12 6.619 -2.114 -23.816 1.00 63.32 H new ATOM 0 HG13 ILE A 12 4.991 -1.689 -24.306 1.00 63.32 H new ATOM 0 HG21 ILE A 12 6.353 -0.401 -21.138 1.00 64.42 H new ATOM 0 HG22 ILE A 12 5.795 -1.747 -20.116 1.00 64.42 H new ATOM 0 HG23 ILE A 12 7.161 -1.984 -21.231 1.00 64.42 H new ATOM 0 HD11 ILE A 12 6.526 0.186 -24.641 1.00 40.44 H new ATOM 0 HD12 ILE A 12 5.304 0.591 -23.412 1.00 40.44 H new ATOM 0 HD13 ILE A 12 6.957 0.159 -22.914 1.00 40.44 H new ATOM 199 N GLU A 13 7.163 -4.328 -21.455 1.00 34.31 N ATOM 200 CA GLU A 13 8.447 -4.992 -21.642 1.00 63.24 C ATOM 201 C GLU A 13 8.260 -6.494 -21.837 1.00 63.11 C ATOM 202 O GLU A 13 9.096 -7.160 -22.448 1.00 33.01 O ATOM 203 CB GLU A 13 9.361 -4.732 -20.443 1.00 33.24 C ATOM 204 CG GLU A 13 10.739 -5.357 -20.580 1.00 51.12 C ATOM 205 CD GLU A 13 11.802 -4.602 -19.805 1.00 75.12 C ATOM 206 OE1 GLU A 13 11.612 -4.394 -18.589 1.00 13.35 O ATOM 207 OE2 GLU A 13 12.822 -4.220 -20.415 1.00 1.13 O ATOM 0 H GLU A 13 6.977 -4.031 -20.497 1.00 34.31 H new ATOM 0 HA GLU A 13 8.911 -4.582 -22.539 1.00 63.24 H new ATOM 0 HB2 GLU A 13 9.471 -3.656 -20.308 1.00 33.24 H new ATOM 0 HB3 GLU A 13 8.884 -5.119 -19.543 1.00 33.24 H new ATOM 0 HG2 GLU A 13 10.703 -6.388 -20.229 1.00 51.12 H new ATOM 0 HG3 GLU A 13 11.016 -5.388 -21.634 1.00 51.12 H new ATOM 214 N MET A 14 7.158 -7.020 -21.313 1.00 22.03 N ATOM 215 CA MET A 14 6.861 -8.443 -21.429 1.00 52.12 C ATOM 216 C MET A 14 6.470 -8.801 -22.860 1.00 24.45 C ATOM 217 O MET A 14 7.149 -9.588 -23.520 1.00 72.21 O ATOM 218 CB MET A 14 5.735 -8.831 -20.468 1.00 41.25 C ATOM 219 CG MET A 14 5.426 -10.319 -20.464 1.00 75.03 C ATOM 220 SD MET A 14 6.399 -11.228 -19.248 1.00 52.54 S ATOM 221 CE MET A 14 7.666 -11.942 -20.294 1.00 14.31 C ATOM 0 H MET A 14 6.456 -6.483 -20.804 1.00 22.03 H new ATOM 0 HA MET A 14 7.761 -9.000 -21.166 1.00 52.12 H new ATOM 0 HB2 MET A 14 6.007 -8.522 -19.459 1.00 41.25 H new ATOM 0 HB3 MET A 14 4.833 -8.282 -20.737 1.00 41.25 H new ATOM 0 HG2 MET A 14 4.366 -10.465 -20.258 1.00 75.03 H new ATOM 0 HG3 MET A 14 5.617 -10.728 -21.456 1.00 75.03 H new ATOM 0 HE1 MET A 14 7.569 -13.028 -20.294 1.00 14.31 H new ATOM 0 HE2 MET A 14 7.552 -11.568 -21.311 1.00 14.31 H new ATOM 0 HE3 MET A 14 8.650 -11.666 -19.914 1.00 14.31 H new ATOM 231 N VAL A 15 5.373 -8.220 -23.332 1.00 53.53 N ATOM 232 CA VAL A 15 4.893 -8.477 -24.685 1.00 33.23 C ATOM 233 C VAL A 15 5.974 -8.179 -25.718 1.00 15.14 C ATOM 234 O VAL A 15 5.960 -8.724 -26.821 1.00 35.13 O ATOM 235 CB VAL A 15 3.644 -7.635 -25.007 1.00 33.41 C ATOM 236 CG1 VAL A 15 3.147 -7.934 -26.413 1.00 53.32 C ATOM 237 CG2 VAL A 15 2.550 -7.891 -23.981 1.00 3.23 C ATOM 0 H VAL A 15 4.799 -7.568 -22.798 1.00 53.53 H new ATOM 0 HA VAL A 15 4.631 -9.534 -24.732 1.00 33.23 H new ATOM 0 HB VAL A 15 3.916 -6.580 -24.959 1.00 33.41 H new ATOM 0 HG11 VAL A 15 2.264 -7.330 -26.623 1.00 53.32 H new ATOM 0 HG12 VAL A 15 3.929 -7.696 -27.134 1.00 53.32 H new ATOM 0 HG13 VAL A 15 2.891 -8.991 -26.491 1.00 53.32 H new ATOM 0 HG21 VAL A 15 1.675 -7.288 -24.224 1.00 3.23 H new ATOM 0 HG22 VAL A 15 2.278 -8.947 -23.994 1.00 3.23 H new ATOM 0 HG23 VAL A 15 2.912 -7.622 -22.989 1.00 3.23 H new ATOM 247 N ALA A 16 6.910 -7.310 -25.352 1.00 1.12 N ATOM 248 CA ALA A 16 8.001 -6.941 -26.246 1.00 14.33 C ATOM 249 C ALA A 16 8.987 -8.091 -26.413 1.00 21.43 C ATOM 250 O ALA A 16 9.687 -8.179 -27.421 1.00 3.32 O ATOM 251 CB ALA A 16 8.715 -5.702 -25.724 1.00 35.40 C ATOM 0 H ALA A 16 6.935 -6.848 -24.443 1.00 1.12 H new ATOM 0 HA ALA A 16 7.576 -6.717 -27.224 1.00 14.33 H new ATOM 0 HB1 ALA A 16 9.527 -5.438 -26.401 1.00 35.40 H new ATOM 0 HB2 ALA A 16 8.009 -4.874 -25.663 1.00 35.40 H new ATOM 0 HB3 ALA A 16 9.121 -5.906 -24.733 1.00 35.40 H new ATOM 257 N GLU A 17 9.037 -8.971 -25.417 1.00 70.34 N ATOM 258 CA GLU A 17 9.940 -10.116 -25.455 1.00 52.21 C ATOM 259 C GLU A 17 9.174 -11.404 -25.742 1.00 14.02 C ATOM 260 O GLU A 17 9.738 -12.378 -26.241 1.00 11.04 O ATOM 261 CB GLU A 17 10.694 -10.242 -24.130 1.00 21.42 C ATOM 262 CG GLU A 17 12.073 -10.864 -24.271 1.00 63.14 C ATOM 263 CD GLU A 17 12.046 -12.376 -24.157 1.00 2.11 C ATOM 264 OE1 GLU A 17 11.185 -12.899 -23.419 1.00 55.05 O ATOM 265 OE2 GLU A 17 12.886 -13.036 -24.804 1.00 1.43 O ATOM 0 H GLU A 17 8.464 -8.913 -24.575 1.00 70.34 H new ATOM 0 HA GLU A 17 10.658 -9.954 -26.259 1.00 52.21 H new ATOM 0 HB2 GLU A 17 10.795 -9.253 -23.684 1.00 21.42 H new ATOM 0 HB3 GLU A 17 10.102 -10.844 -23.441 1.00 21.42 H new ATOM 0 HG2 GLU A 17 12.497 -10.584 -25.235 1.00 63.14 H new ATOM 0 HG3 GLU A 17 12.731 -10.457 -23.503 1.00 63.14 H new ATOM 272 N LYS A 18 7.884 -11.402 -25.422 1.00 51.23 N ATOM 273 CA LYS A 18 7.038 -12.568 -25.645 1.00 70.31 C ATOM 274 C LYS A 18 6.996 -12.935 -27.125 1.00 70.21 C ATOM 275 O LYS A 18 7.346 -14.052 -27.508 1.00 70.34 O ATOM 276 CB LYS A 18 5.620 -12.301 -25.135 1.00 3.23 C ATOM 277 CG LYS A 18 4.674 -13.474 -25.323 1.00 64.22 C ATOM 278 CD LYS A 18 3.255 -13.008 -25.601 1.00 3.42 C ATOM 279 CE LYS A 18 2.339 -14.176 -25.931 1.00 41.35 C ATOM 280 NZ LYS A 18 2.066 -14.270 -27.392 1.00 54.13 N ATOM 0 H LYS A 18 7.402 -10.605 -25.007 1.00 51.23 H new ATOM 0 HA LYS A 18 7.465 -13.405 -25.093 1.00 70.31 H new ATOM 0 HB2 LYS A 18 5.666 -12.048 -24.076 1.00 3.23 H new ATOM 0 HB3 LYS A 18 5.215 -11.432 -25.653 1.00 3.23 H new ATOM 0 HG2 LYS A 18 5.022 -14.095 -26.149 1.00 64.22 H new ATOM 0 HG3 LYS A 18 4.684 -14.098 -24.429 1.00 64.22 H new ATOM 0 HD2 LYS A 18 2.869 -12.476 -24.732 1.00 3.42 H new ATOM 0 HD3 LYS A 18 3.259 -12.302 -26.431 1.00 3.42 H new ATOM 0 HE2 LYS A 18 2.795 -15.104 -25.586 1.00 41.35 H new ATOM 0 HE3 LYS A 18 1.398 -14.064 -25.392 1.00 41.35 H new ATOM 0 HZ1 LYS A 18 1.137 -14.713 -27.544 1.00 54.13 H new ATOM 0 HZ2 LYS A 18 2.067 -13.317 -27.807 1.00 54.13 H new ATOM 0 HZ3 LYS A 18 2.803 -14.846 -27.846 1.00 54.13 H new ATOM 294 N LEU A 19 6.567 -11.989 -27.953 1.00 4.44 N ATOM 295 CA LEU A 19 6.481 -12.212 -29.392 1.00 3.23 C ATOM 296 C LEU A 19 7.434 -11.288 -30.144 1.00 12.01 C ATOM 297 O LEU A 19 7.261 -11.040 -31.336 1.00 70.04 O ATOM 298 CB LEU A 19 5.048 -11.990 -29.877 1.00 72.13 C ATOM 299 CG LEU A 19 4.508 -13.021 -30.870 1.00 3.24 C ATOM 300 CD1 LEU A 19 5.488 -13.223 -32.015 1.00 1.20 C ATOM 301 CD2 LEU A 19 4.227 -14.341 -30.167 1.00 72.00 C ATOM 0 H LEU A 19 6.273 -11.060 -27.652 1.00 4.44 H new ATOM 0 HA LEU A 19 6.770 -13.243 -29.593 1.00 3.23 H new ATOM 0 HB2 LEU A 19 4.390 -11.973 -29.008 1.00 72.13 H new ATOM 0 HB3 LEU A 19 4.991 -11.005 -30.340 1.00 72.13 H new ATOM 0 HG LEU A 19 3.572 -12.645 -31.282 1.00 3.24 H new ATOM 0 HD11 LEU A 19 5.087 -13.960 -32.711 1.00 1.20 H new ATOM 0 HD12 LEU A 19 5.640 -12.277 -32.535 1.00 1.20 H new ATOM 0 HD13 LEU A 19 6.440 -13.577 -31.621 1.00 1.20 H new ATOM 0 HD21 LEU A 19 3.844 -15.063 -30.888 1.00 72.00 H new ATOM 0 HD22 LEU A 19 5.148 -14.722 -29.727 1.00 72.00 H new ATOM 0 HD23 LEU A 19 3.487 -14.185 -29.382 1.00 72.00 H new ATOM 313 N ASN A 20 8.441 -10.783 -29.438 1.00 72.25 N ATOM 314 CA ASN A 20 9.422 -9.888 -30.040 1.00 43.12 C ATOM 315 C ASN A 20 8.736 -8.711 -30.726 1.00 41.35 C ATOM 316 O ASN A 20 8.902 -8.494 -31.927 1.00 64.41 O ATOM 317 CB ASN A 20 10.286 -10.648 -31.049 1.00 31.01 C ATOM 318 CG ASN A 20 10.962 -11.858 -30.435 1.00 25.34 C ATOM 319 OD1 ASN A 20 11.723 -11.737 -29.474 1.00 61.32 O ATOM 320 ND2 ASN A 20 10.688 -13.034 -30.988 1.00 11.20 N ATOM 0 H ASN A 20 8.599 -10.978 -28.449 1.00 72.25 H new ATOM 0 HA ASN A 20 10.059 -9.501 -29.245 1.00 43.12 H new ATOM 0 HB2 ASN A 20 9.666 -10.968 -31.886 1.00 31.01 H new ATOM 0 HB3 ASN A 20 11.044 -9.977 -31.452 1.00 31.01 H new ATOM 0 HD21 ASN A 20 11.114 -13.883 -30.618 1.00 11.20 H new ATOM 0 HD22 ASN A 20 10.051 -13.088 -31.783 1.00 11.20 H new ATOM 327 N LYS A 21 7.964 -7.952 -29.956 1.00 3.21 N ATOM 328 CA LYS A 21 7.254 -6.795 -30.487 1.00 54.22 C ATOM 329 C LYS A 21 7.935 -5.497 -30.066 1.00 43.11 C ATOM 330 O LYS A 21 8.080 -5.219 -28.876 1.00 1.34 O ATOM 331 CB LYS A 21 5.800 -6.799 -30.008 1.00 3.13 C ATOM 332 CG LYS A 21 4.807 -6.368 -31.073 1.00 1.31 C ATOM 333 CD LYS A 21 4.191 -7.564 -31.778 1.00 33.42 C ATOM 334 CE LYS A 21 5.086 -8.075 -32.896 1.00 42.54 C ATOM 335 NZ LYS A 21 5.286 -7.050 -33.958 1.00 51.41 N ATOM 0 H LYS A 21 7.814 -8.118 -28.961 1.00 3.21 H new ATOM 0 HA LYS A 21 7.272 -6.857 -31.575 1.00 54.22 H new ATOM 0 HB2 LYS A 21 5.542 -7.801 -29.667 1.00 3.13 H new ATOM 0 HB3 LYS A 21 5.708 -6.136 -29.148 1.00 3.13 H new ATOM 0 HG2 LYS A 21 4.020 -5.769 -30.616 1.00 1.31 H new ATOM 0 HG3 LYS A 21 5.308 -5.733 -31.803 1.00 1.31 H new ATOM 0 HD2 LYS A 21 4.017 -8.362 -31.057 1.00 33.42 H new ATOM 0 HD3 LYS A 21 3.220 -7.286 -32.187 1.00 33.42 H new ATOM 0 HE2 LYS A 21 6.053 -8.365 -32.484 1.00 42.54 H new ATOM 0 HE3 LYS A 21 4.645 -8.971 -33.334 1.00 42.54 H new ATOM 0 HZ1 LYS A 21 5.874 -7.448 -34.718 1.00 51.41 H new ATOM 0 HZ2 LYS A 21 4.363 -6.767 -34.346 1.00 51.41 H new ATOM 0 HZ3 LYS A 21 5.761 -6.218 -33.553 1.00 51.41 H new ATOM 349 N ASP A 22 8.351 -4.706 -31.049 1.00 75.24 N ATOM 350 CA ASP A 22 9.015 -3.436 -30.780 1.00 53.05 C ATOM 351 C ASP A 22 8.147 -2.545 -29.897 1.00 74.23 C ATOM 352 O ASP A 22 6.923 -2.680 -29.872 1.00 60.33 O ATOM 353 CB ASP A 22 9.337 -2.717 -32.091 1.00 51.14 C ATOM 354 CG ASP A 22 10.623 -1.918 -32.013 1.00 30.14 C ATOM 355 OD1 ASP A 22 11.678 -2.518 -31.717 1.00 34.53 O ATOM 356 OD2 ASP A 22 10.575 -0.693 -32.248 1.00 1.23 O ATOM 0 H ASP A 22 8.240 -4.922 -32.040 1.00 75.24 H new ATOM 0 HA ASP A 22 9.945 -3.645 -30.251 1.00 53.05 H new ATOM 0 HB2 ASP A 22 9.416 -3.450 -32.894 1.00 51.14 H new ATOM 0 HB3 ASP A 22 8.514 -2.051 -32.348 1.00 51.14 H new ATOM 361 N LYS A 23 8.788 -1.635 -29.172 1.00 54.35 N ATOM 362 CA LYS A 23 8.076 -0.721 -28.287 1.00 55.33 C ATOM 363 C LYS A 23 7.060 0.110 -29.066 1.00 33.54 C ATOM 364 O LYS A 23 6.032 0.517 -28.525 1.00 4.15 O ATOM 365 CB LYS A 23 9.064 0.203 -27.572 1.00 30.01 C ATOM 366 CG LYS A 23 9.920 1.028 -28.518 1.00 34.32 C ATOM 367 CD LYS A 23 11.195 1.505 -27.843 1.00 53.44 C ATOM 368 CE LYS A 23 12.298 0.463 -27.935 1.00 61.42 C ATOM 369 NZ LYS A 23 13.019 0.531 -29.236 1.00 42.23 N ATOM 0 H LYS A 23 9.800 -1.511 -29.180 1.00 54.35 H new ATOM 0 HA LYS A 23 7.542 -1.316 -27.546 1.00 55.33 H new ATOM 0 HB2 LYS A 23 8.510 0.875 -26.917 1.00 30.01 H new ATOM 0 HB3 LYS A 23 9.715 -0.397 -26.936 1.00 30.01 H new ATOM 0 HG2 LYS A 23 10.172 0.432 -29.395 1.00 34.32 H new ATOM 0 HG3 LYS A 23 9.350 1.888 -28.870 1.00 34.32 H new ATOM 0 HD2 LYS A 23 11.529 2.432 -28.309 1.00 53.44 H new ATOM 0 HD3 LYS A 23 10.991 1.729 -26.796 1.00 53.44 H new ATOM 0 HE2 LYS A 23 13.006 0.611 -27.119 1.00 61.42 H new ATOM 0 HE3 LYS A 23 11.870 -0.531 -27.809 1.00 61.42 H new ATOM 0 HZ1 LYS A 23 13.763 -0.195 -29.259 1.00 42.23 H new ATOM 0 HZ2 LYS A 23 12.349 0.365 -30.014 1.00 42.23 H new ATOM 0 HZ3 LYS A 23 13.450 1.471 -29.345 1.00 42.23 H new ATOM 383 N ALA A 24 7.354 0.355 -30.338 1.00 74.12 N ATOM 384 CA ALA A 24 6.464 1.133 -31.191 1.00 40.22 C ATOM 385 C ALA A 24 5.320 0.275 -31.719 1.00 75.21 C ATOM 386 O ALA A 24 4.423 0.771 -32.403 1.00 25.24 O ATOM 387 CB ALA A 24 7.243 1.746 -32.346 1.00 14.11 C ATOM 0 H ALA A 24 8.201 0.026 -30.801 1.00 74.12 H new ATOM 0 HA ALA A 24 6.034 1.935 -30.590 1.00 40.22 H new ATOM 0 HB1 ALA A 24 6.566 2.324 -32.975 1.00 14.11 H new ATOM 0 HB2 ALA A 24 8.021 2.400 -31.953 1.00 14.11 H new ATOM 0 HB3 ALA A 24 7.700 0.953 -32.938 1.00 14.11 H new ATOM 393 N ILE A 25 5.356 -1.014 -31.398 1.00 63.14 N ATOM 394 CA ILE A 25 4.322 -1.941 -31.840 1.00 55.44 C ATOM 395 C ILE A 25 3.398 -2.324 -30.689 1.00 4.12 C ATOM 396 O ILE A 25 2.234 -2.663 -30.900 1.00 54.23 O ATOM 397 CB ILE A 25 4.931 -3.220 -32.442 1.00 65.34 C ATOM 398 CG1 ILE A 25 6.006 -2.864 -33.471 1.00 44.13 C ATOM 399 CG2 ILE A 25 3.846 -4.077 -33.077 1.00 51.53 C ATOM 400 CD1 ILE A 25 5.447 -2.309 -34.762 1.00 54.42 C ATOM 0 H ILE A 25 6.091 -1.440 -30.833 1.00 63.14 H new ATOM 0 HA ILE A 25 3.746 -1.427 -32.609 1.00 55.44 H new ATOM 0 HB ILE A 25 5.397 -3.794 -31.641 1.00 65.34 H new ATOM 0 HG12 ILE A 25 6.686 -2.133 -33.035 1.00 44.13 H new ATOM 0 HG13 ILE A 25 6.594 -3.754 -33.692 1.00 44.13 H new ATOM 0 HG21 ILE A 25 4.293 -4.977 -33.498 1.00 51.53 H new ATOM 0 HG22 ILE A 25 3.113 -4.356 -32.320 1.00 51.53 H new ATOM 0 HG23 ILE A 25 3.353 -3.513 -33.869 1.00 51.53 H new ATOM 0 HD11 ILE A 25 6.266 -2.079 -35.444 1.00 54.42 H new ATOM 0 HD12 ILE A 25 4.789 -3.047 -35.221 1.00 54.42 H new ATOM 0 HD13 ILE A 25 4.883 -1.400 -34.553 1.00 54.42 H new ATOM 412 N ILE A 26 3.926 -2.266 -29.471 1.00 31.33 N ATOM 413 CA ILE A 26 3.148 -2.605 -28.285 1.00 42.52 C ATOM 414 C ILE A 26 1.806 -1.880 -28.283 1.00 62.31 C ATOM 415 O ILE A 26 1.750 -0.652 -28.209 1.00 63.35 O ATOM 416 CB ILE A 26 3.910 -2.254 -26.993 1.00 71.23 C ATOM 417 CG1 ILE A 26 5.245 -2.999 -26.945 1.00 25.21 C ATOM 418 CG2 ILE A 26 3.065 -2.590 -25.773 1.00 45.51 C ATOM 419 CD1 ILE A 26 5.096 -4.503 -26.870 1.00 43.42 C ATOM 0 H ILE A 26 4.888 -1.988 -29.279 1.00 31.33 H new ATOM 0 HA ILE A 26 2.977 -3.681 -28.316 1.00 42.52 H new ATOM 0 HB ILE A 26 4.113 -1.183 -26.987 1.00 71.23 H new ATOM 0 HG12 ILE A 26 5.826 -2.743 -27.831 1.00 25.21 H new ATOM 0 HG13 ILE A 26 5.813 -2.655 -26.081 1.00 25.21 H new ATOM 0 HG21 ILE A 26 3.616 -2.337 -24.868 1.00 45.51 H new ATOM 0 HG22 ILE A 26 2.137 -2.019 -25.805 1.00 45.51 H new ATOM 0 HG23 ILE A 26 2.835 -3.656 -25.772 1.00 45.51 H new ATOM 0 HD11 ILE A 26 6.083 -4.965 -26.839 1.00 43.42 H new ATOM 0 HD12 ILE A 26 4.542 -4.769 -25.970 1.00 43.42 H new ATOM 0 HD13 ILE A 26 4.556 -4.859 -27.747 1.00 43.42 H new ATOM 431 N THR A 27 0.725 -2.649 -28.363 1.00 33.44 N ATOM 432 CA THR A 27 -0.618 -2.082 -28.369 1.00 62.11 C ATOM 433 C THR A 27 -1.554 -2.876 -27.465 1.00 54.42 C ATOM 434 O THR A 27 -1.405 -4.088 -27.310 1.00 32.15 O ATOM 435 CB THR A 27 -1.205 -2.046 -29.793 1.00 13.44 C ATOM 436 OG1 THR A 27 -0.674 -3.125 -30.570 1.00 10.34 O ATOM 437 CG2 THR A 27 -0.892 -0.722 -30.473 1.00 54.33 C ATOM 0 H THR A 27 0.753 -3.667 -28.425 1.00 33.44 H new ATOM 0 HA THR A 27 -0.533 -1.063 -27.993 1.00 62.11 H new ATOM 0 HB THR A 27 -2.287 -2.152 -29.719 1.00 13.44 H new ATOM 0 HG1 THR A 27 0.263 -2.940 -30.790 1.00 10.34 H new ATOM 0 HG21 THR A 27 -1.316 -0.719 -31.477 1.00 54.33 H new ATOM 0 HG22 THR A 27 -1.323 0.095 -29.895 1.00 54.33 H new ATOM 0 HG23 THR A 27 0.188 -0.591 -30.535 1.00 54.33 H new ATOM 445 N THR A 28 -2.522 -2.184 -26.871 1.00 21.44 N ATOM 446 CA THR A 28 -3.483 -2.825 -25.982 1.00 11.55 C ATOM 447 C THR A 28 -4.216 -3.958 -26.689 1.00 70.51 C ATOM 448 O THR A 28 -4.391 -5.041 -26.130 1.00 74.21 O ATOM 449 CB THR A 28 -4.516 -1.814 -25.450 1.00 14.53 C ATOM 450 OG1 THR A 28 -5.291 -1.288 -26.534 1.00 23.33 O ATOM 451 CG2 THR A 28 -3.829 -0.674 -24.712 1.00 60.42 C ATOM 0 H THR A 28 -2.661 -1.180 -26.990 1.00 21.44 H new ATOM 0 HA THR A 28 -2.916 -3.230 -25.144 1.00 11.55 H new ATOM 0 HB THR A 28 -5.173 -2.334 -24.752 1.00 14.53 H new ATOM 0 HG1 THR A 28 -5.946 -0.647 -26.187 1.00 23.33 H new ATOM 0 HG21 THR A 28 -4.579 0.027 -24.346 1.00 60.42 H new ATOM 0 HG22 THR A 28 -3.264 -1.074 -23.870 1.00 60.42 H new ATOM 0 HG23 THR A 28 -3.151 -0.157 -25.391 1.00 60.42 H new ATOM 459 N ASP A 29 -4.642 -3.703 -27.921 1.00 65.34 N ATOM 460 CA ASP A 29 -5.355 -4.704 -28.707 1.00 25.23 C ATOM 461 C ASP A 29 -4.439 -5.324 -29.758 1.00 3.15 C ATOM 462 O ASP A 29 -4.895 -5.755 -30.816 1.00 60.52 O ATOM 463 CB ASP A 29 -6.576 -4.078 -29.382 1.00 21.41 C ATOM 464 CG ASP A 29 -7.605 -5.114 -29.790 1.00 54.44 C ATOM 465 OD1 ASP A 29 -7.254 -6.311 -29.845 1.00 31.01 O ATOM 466 OD2 ASP A 29 -8.763 -4.727 -30.055 1.00 3.43 O ATOM 0 H ASP A 29 -4.506 -2.811 -28.397 1.00 65.34 H new ATOM 0 HA ASP A 29 -5.687 -5.492 -28.031 1.00 25.23 H new ATOM 0 HB2 ASP A 29 -7.036 -3.361 -28.702 1.00 21.41 H new ATOM 0 HB3 ASP A 29 -6.256 -3.522 -30.263 1.00 21.41 H new ATOM 471 N SER A 30 -3.144 -5.363 -29.458 1.00 33.51 N ATOM 472 CA SER A 30 -2.163 -5.926 -30.379 1.00 13.23 C ATOM 473 C SER A 30 -2.578 -7.323 -30.828 1.00 35.53 C ATOM 474 O SER A 30 -2.986 -8.153 -30.015 1.00 31.14 O ATOM 475 CB SER A 30 -0.784 -5.978 -29.718 1.00 73.54 C ATOM 476 OG SER A 30 0.231 -6.224 -30.676 1.00 72.13 O ATOM 0 H SER A 30 -2.750 -5.012 -28.585 1.00 33.51 H new ATOM 0 HA SER A 30 -2.113 -5.282 -31.257 1.00 13.23 H new ATOM 0 HB2 SER A 30 -0.586 -5.036 -29.207 1.00 73.54 H new ATOM 0 HB3 SER A 30 -0.770 -6.761 -28.959 1.00 73.54 H new ATOM 0 HG SER A 30 1.103 -6.251 -30.229 1.00 72.13 H new ATOM 482 N ARG A 31 -2.472 -7.576 -32.128 1.00 63.41 N ATOM 483 CA ARG A 31 -2.837 -8.873 -32.687 1.00 2.42 C ATOM 484 C ARG A 31 -1.661 -9.492 -33.437 1.00 12.01 C ATOM 485 O ARG A 31 -1.803 -9.936 -34.577 1.00 3.53 O ATOM 486 CB ARG A 31 -4.035 -8.728 -33.626 1.00 55.51 C ATOM 487 CG ARG A 31 -5.176 -7.913 -33.037 1.00 62.31 C ATOM 488 CD ARG A 31 -5.198 -6.500 -33.597 1.00 10.41 C ATOM 489 NE ARG A 31 -5.738 -6.456 -34.953 1.00 73.30 N ATOM 490 CZ ARG A 31 -5.838 -5.342 -35.669 1.00 50.02 C ATOM 491 NH1 ARG A 31 -5.436 -4.185 -35.161 1.00 64.32 N ATOM 492 NH2 ARG A 31 -6.341 -5.383 -36.896 1.00 63.45 N ATOM 0 H ARG A 31 -2.136 -6.900 -32.814 1.00 63.41 H new ATOM 0 HA ARG A 31 -3.108 -9.533 -31.863 1.00 2.42 H new ATOM 0 HB2 ARG A 31 -3.705 -8.258 -34.553 1.00 55.51 H new ATOM 0 HB3 ARG A 31 -4.405 -9.720 -33.886 1.00 55.51 H new ATOM 0 HG2 ARG A 31 -6.125 -8.405 -33.251 1.00 62.31 H new ATOM 0 HG3 ARG A 31 -5.075 -7.874 -31.952 1.00 62.31 H new ATOM 0 HD2 ARG A 31 -5.797 -5.862 -32.947 1.00 10.41 H new ATOM 0 HD3 ARG A 31 -4.186 -6.094 -33.597 1.00 10.41 H new ATOM 0 HE ARG A 31 -6.056 -7.329 -35.374 1.00 73.30 H new ATOM 0 HH11 ARG A 31 -5.049 -4.149 -34.218 1.00 64.32 H new ATOM 0 HH12 ARG A 31 -5.514 -3.331 -35.713 1.00 64.32 H new ATOM 0 HH21 ARG A 31 -6.652 -6.271 -37.290 1.00 63.45 H new ATOM 0 HH22 ARG A 31 -6.417 -4.527 -37.445 1.00 63.45 H new ATOM 506 N PHE A 32 -0.501 -9.518 -32.790 1.00 22.23 N ATOM 507 CA PHE A 32 0.700 -10.082 -33.396 1.00 10.42 C ATOM 508 C PHE A 32 0.419 -11.466 -33.974 1.00 5.35 C ATOM 509 O PHE A 32 1.003 -11.857 -34.985 1.00 34.51 O ATOM 510 CB PHE A 32 1.826 -10.166 -32.364 1.00 23.14 C ATOM 511 CG PHE A 32 1.367 -10.635 -31.013 1.00 24.44 C ATOM 512 CD1 PHE A 32 1.133 -11.980 -30.774 1.00 41.04 C ATOM 513 CD2 PHE A 32 1.170 -9.732 -29.981 1.00 52.30 C ATOM 514 CE1 PHE A 32 0.711 -12.415 -29.532 1.00 61.33 C ATOM 515 CE2 PHE A 32 0.748 -10.161 -28.737 1.00 24.12 C ATOM 516 CZ PHE A 32 0.518 -11.504 -28.512 1.00 75.35 C ATOM 0 H PHE A 32 -0.367 -9.155 -31.846 1.00 22.23 H new ATOM 0 HA PHE A 32 1.010 -9.425 -34.209 1.00 10.42 H new ATOM 0 HB2 PHE A 32 2.596 -10.844 -32.733 1.00 23.14 H new ATOM 0 HB3 PHE A 32 2.288 -9.184 -32.261 1.00 23.14 H new ATOM 0 HD1 PHE A 32 1.282 -12.697 -31.568 1.00 41.04 H new ATOM 0 HD2 PHE A 32 1.348 -8.680 -30.151 1.00 52.30 H new ATOM 0 HE1 PHE A 32 0.532 -13.466 -29.359 1.00 61.33 H new ATOM 0 HE2 PHE A 32 0.598 -9.446 -27.941 1.00 24.12 H new ATOM 0 HZ PHE A 32 0.188 -11.841 -27.541 1.00 75.35 H new ATOM 526 N ILE A 33 -0.476 -12.201 -33.324 1.00 33.03 N ATOM 527 CA ILE A 33 -0.835 -13.541 -33.773 1.00 3.35 C ATOM 528 C ILE A 33 -1.332 -13.523 -35.214 1.00 14.22 C ATOM 529 O ILE A 33 -0.970 -14.382 -36.016 1.00 71.51 O ATOM 530 CB ILE A 33 -1.919 -14.164 -32.874 1.00 54.03 C ATOM 531 CG1 ILE A 33 -2.316 -15.545 -33.400 1.00 60.10 C ATOM 532 CG2 ILE A 33 -3.134 -13.251 -32.799 1.00 50.15 C ATOM 533 CD1 ILE A 33 -1.152 -16.503 -33.520 1.00 24.32 C ATOM 0 H ILE A 33 -0.966 -11.892 -32.485 1.00 33.03 H new ATOM 0 HA ILE A 33 0.068 -14.148 -33.711 1.00 3.35 H new ATOM 0 HB ILE A 33 -1.514 -14.281 -31.869 1.00 54.03 H new ATOM 0 HG12 ILE A 33 -3.064 -15.977 -32.735 1.00 60.10 H new ATOM 0 HG13 ILE A 33 -2.785 -15.432 -34.377 1.00 60.10 H new ATOM 0 HG21 ILE A 33 -3.891 -13.705 -32.160 1.00 50.15 H new ATOM 0 HG22 ILE A 33 -2.840 -12.287 -32.384 1.00 50.15 H new ATOM 0 HG23 ILE A 33 -3.542 -13.106 -33.799 1.00 50.15 H new ATOM 0 HD11 ILE A 33 -1.507 -17.461 -33.899 1.00 24.32 H new ATOM 0 HD12 ILE A 33 -0.412 -16.093 -34.208 1.00 24.32 H new ATOM 0 HD13 ILE A 33 -0.696 -16.646 -32.540 1.00 24.32 H new ATOM 545 N GLU A 34 -2.163 -12.536 -35.535 1.00 35.20 N ATOM 546 CA GLU A 34 -2.710 -12.406 -36.881 1.00 21.24 C ATOM 547 C GLU A 34 -1.821 -11.517 -37.745 1.00 52.51 C ATOM 548 O GLU A 34 -1.347 -11.934 -38.802 1.00 23.24 O ATOM 549 CB GLU A 34 -4.127 -11.831 -36.826 1.00 61.43 C ATOM 550 CG GLU A 34 -4.949 -12.121 -38.071 1.00 13.03 C ATOM 551 CD GLU A 34 -4.620 -11.186 -39.218 1.00 61.23 C ATOM 552 OE1 GLU A 34 -4.531 -9.963 -38.982 1.00 33.44 O ATOM 553 OE2 GLU A 34 -4.450 -11.678 -40.354 1.00 34.44 O ATOM 0 H GLU A 34 -2.472 -11.816 -34.882 1.00 35.20 H new ATOM 0 HA GLU A 34 -2.746 -13.399 -37.329 1.00 21.24 H new ATOM 0 HB2 GLU A 34 -4.643 -12.240 -35.957 1.00 61.43 H new ATOM 0 HB3 GLU A 34 -4.067 -10.752 -36.683 1.00 61.43 H new ATOM 0 HG2 GLU A 34 -4.775 -13.150 -38.385 1.00 13.03 H new ATOM 0 HG3 GLU A 34 -6.009 -12.036 -37.830 1.00 13.03 H new ATOM 560 N ASP A 35 -1.601 -10.289 -37.289 1.00 10.43 N ATOM 561 CA ASP A 35 -0.769 -9.339 -38.019 1.00 73.11 C ATOM 562 C ASP A 35 0.601 -9.937 -38.321 1.00 23.23 C ATOM 563 O ASP A 35 1.024 -9.997 -39.476 1.00 73.23 O ATOM 564 CB ASP A 35 -0.610 -8.046 -37.218 1.00 31.23 C ATOM 565 CG ASP A 35 -1.824 -7.145 -37.326 1.00 13.22 C ATOM 566 OD1 ASP A 35 -2.728 -7.461 -38.127 1.00 70.21 O ATOM 567 OD2 ASP A 35 -1.870 -6.122 -36.610 1.00 34.53 O ATOM 0 H ASP A 35 -1.987 -9.928 -36.417 1.00 10.43 H new ATOM 0 HA ASP A 35 -1.263 -9.113 -38.964 1.00 73.11 H new ATOM 0 HB2 ASP A 35 -0.435 -8.290 -36.170 1.00 31.23 H new ATOM 0 HB3 ASP A 35 0.270 -7.509 -37.572 1.00 31.23 H new ATOM 572 N LEU A 36 1.292 -10.378 -37.275 1.00 0.50 N ATOM 573 CA LEU A 36 2.616 -10.970 -37.427 1.00 62.43 C ATOM 574 C LEU A 36 2.513 -12.436 -37.836 1.00 32.30 C ATOM 575 O LEU A 36 3.521 -13.092 -38.097 1.00 65.15 O ATOM 576 CB LEU A 36 3.405 -10.847 -36.122 1.00 71.44 C ATOM 577 CG LEU A 36 4.875 -10.451 -36.262 1.00 1.14 C ATOM 578 CD1 LEU A 36 4.998 -8.991 -36.670 1.00 71.12 C ATOM 579 CD2 LEU A 36 5.622 -10.707 -34.961 1.00 21.22 C ATOM 0 H LEU A 36 0.957 -10.337 -36.313 1.00 0.50 H new ATOM 0 HA LEU A 36 3.141 -10.428 -38.214 1.00 62.43 H new ATOM 0 HB2 LEU A 36 2.910 -10.111 -35.489 1.00 71.44 H new ATOM 0 HB3 LEU A 36 3.355 -11.802 -35.599 1.00 71.44 H new ATOM 0 HG LEU A 36 5.324 -11.065 -37.043 1.00 1.14 H new ATOM 0 HD11 LEU A 36 6.051 -8.727 -36.765 1.00 71.12 H new ATOM 0 HD12 LEU A 36 4.498 -8.837 -37.626 1.00 71.12 H new ATOM 0 HD13 LEU A 36 4.533 -8.361 -35.912 1.00 71.12 H new ATOM 0 HD21 LEU A 36 6.667 -10.420 -35.079 1.00 21.22 H new ATOM 0 HD22 LEU A 36 5.172 -10.119 -34.161 1.00 21.22 H new ATOM 0 HD23 LEU A 36 5.563 -11.766 -34.710 1.00 21.22 H new ATOM 591 N LYS A 37 1.286 -12.945 -37.891 1.00 44.41 N ATOM 592 CA LYS A 37 1.049 -14.332 -38.272 1.00 21.05 C ATOM 593 C LYS A 37 1.924 -15.277 -37.454 1.00 73.53 C ATOM 594 O LYS A 37 2.713 -16.043 -38.008 1.00 55.40 O ATOM 595 CB LYS A 37 1.325 -14.527 -39.764 1.00 74.42 C ATOM 596 CG LYS A 37 0.143 -14.175 -40.652 1.00 24.51 C ATOM 597 CD LYS A 37 -1.048 -15.079 -40.379 1.00 44.15 C ATOM 598 CE LYS A 37 -2.131 -14.906 -41.433 1.00 63.12 C ATOM 599 NZ LYS A 37 -2.898 -16.164 -41.651 1.00 42.35 N ATOM 0 H LYS A 37 0.440 -12.417 -37.676 1.00 44.41 H new ATOM 0 HA LYS A 37 0.004 -14.565 -38.069 1.00 21.05 H new ATOM 0 HB2 LYS A 37 2.179 -13.913 -40.050 1.00 74.42 H new ATOM 0 HB3 LYS A 37 1.605 -15.566 -39.941 1.00 74.42 H new ATOM 0 HG2 LYS A 37 -0.142 -13.136 -40.485 1.00 24.51 H new ATOM 0 HG3 LYS A 37 0.434 -14.262 -41.699 1.00 24.51 H new ATOM 0 HD2 LYS A 37 -0.720 -16.118 -40.359 1.00 44.15 H new ATOM 0 HD3 LYS A 37 -1.458 -14.855 -39.394 1.00 44.15 H new ATOM 0 HE2 LYS A 37 -2.813 -14.113 -41.126 1.00 63.12 H new ATOM 0 HE3 LYS A 37 -1.677 -14.590 -42.372 1.00 63.12 H new ATOM 0 HZ1 LYS A 37 -3.626 -16.005 -42.376 1.00 42.35 H new ATOM 0 HZ2 LYS A 37 -2.251 -16.914 -41.968 1.00 42.35 H new ATOM 0 HZ3 LYS A 37 -3.353 -16.452 -40.761 1.00 42.35 H new ATOM 613 N ALA A 38 1.777 -15.220 -36.135 1.00 1.13 N ATOM 614 CA ALA A 38 2.551 -16.074 -35.242 1.00 41.51 C ATOM 615 C ALA A 38 2.250 -17.547 -35.493 1.00 74.14 C ATOM 616 O ALA A 38 1.106 -17.986 -35.373 1.00 14.32 O ATOM 617 CB ALA A 38 2.267 -15.715 -33.791 1.00 3.30 C ATOM 0 H ALA A 38 1.129 -14.591 -35.661 1.00 1.13 H new ATOM 0 HA ALA A 38 3.609 -15.907 -35.446 1.00 41.51 H new ATOM 0 HB1 ALA A 38 2.852 -16.360 -33.135 1.00 3.30 H new ATOM 0 HB2 ALA A 38 2.540 -14.675 -33.613 1.00 3.30 H new ATOM 0 HB3 ALA A 38 1.206 -15.852 -33.583 1.00 3.30 H new ATOM 623 N ASP A 39 3.282 -18.306 -35.844 1.00 1.13 N ATOM 624 CA ASP A 39 3.127 -19.731 -36.112 1.00 25.02 C ATOM 625 C ASP A 39 2.412 -20.427 -34.958 1.00 11.50 C ATOM 626 O ASP A 39 2.405 -19.932 -33.831 1.00 21.44 O ATOM 627 CB ASP A 39 4.493 -20.379 -36.346 1.00 1.20 C ATOM 628 CG ASP A 39 4.755 -20.664 -37.812 1.00 11.22 C ATOM 629 OD1 ASP A 39 4.613 -19.733 -38.631 1.00 41.54 O ATOM 630 OD2 ASP A 39 5.101 -21.818 -38.140 1.00 31.34 O ATOM 0 H ASP A 39 4.235 -17.958 -35.950 1.00 1.13 H new ATOM 0 HA ASP A 39 2.521 -19.842 -37.011 1.00 25.02 H new ATOM 0 HB2 ASP A 39 5.274 -19.723 -35.961 1.00 1.20 H new ATOM 0 HB3 ASP A 39 4.552 -21.310 -35.782 1.00 1.20 H new ATOM 635 N SER A 40 1.810 -21.575 -35.248 1.00 73.42 N ATOM 636 CA SER A 40 1.087 -22.337 -34.236 1.00 52.41 C ATOM 637 C SER A 40 2.051 -23.141 -33.369 1.00 42.43 C ATOM 638 O SER A 40 1.845 -23.289 -32.164 1.00 1.41 O ATOM 639 CB SER A 40 0.076 -23.274 -34.898 1.00 74.34 C ATOM 640 OG SER A 40 -0.533 -24.125 -33.943 1.00 32.05 O ATOM 0 H SER A 40 1.808 -21.999 -36.176 1.00 73.42 H new ATOM 0 HA SER A 40 0.554 -21.632 -33.598 1.00 52.41 H new ATOM 0 HB2 SER A 40 -0.689 -22.687 -35.407 1.00 74.34 H new ATOM 0 HB3 SER A 40 0.576 -23.874 -35.658 1.00 74.34 H new ATOM 0 HG SER A 40 -1.176 -24.713 -34.392 1.00 32.05 H new ATOM 646 N LEU A 41 3.105 -23.658 -33.991 1.00 74.04 N ATOM 647 CA LEU A 41 4.103 -24.448 -33.278 1.00 54.32 C ATOM 648 C LEU A 41 5.100 -23.544 -32.559 1.00 73.54 C ATOM 649 O LEU A 41 5.696 -23.936 -31.556 1.00 63.33 O ATOM 650 CB LEU A 41 4.841 -25.370 -34.250 1.00 21.24 C ATOM 651 CG LEU A 41 5.815 -24.690 -35.212 1.00 3.10 C ATOM 652 CD1 LEU A 41 6.945 -25.637 -35.586 1.00 73.14 C ATOM 653 CD2 LEU A 41 5.086 -24.208 -36.457 1.00 73.15 C ATOM 0 H LEU A 41 3.291 -23.544 -34.988 1.00 74.04 H new ATOM 0 HA LEU A 41 3.587 -25.054 -32.533 1.00 54.32 H new ATOM 0 HB2 LEU A 41 5.392 -26.110 -33.670 1.00 21.24 H new ATOM 0 HB3 LEU A 41 4.101 -25.913 -34.838 1.00 21.24 H new ATOM 0 HG LEU A 41 6.246 -23.824 -34.710 1.00 3.10 H new ATOM 0 HD11 LEU A 41 7.628 -25.135 -36.271 1.00 73.14 H new ATOM 0 HD12 LEU A 41 7.485 -25.932 -34.686 1.00 73.14 H new ATOM 0 HD13 LEU A 41 6.532 -26.523 -36.069 1.00 73.14 H new ATOM 0 HD21 LEU A 41 5.795 -23.727 -37.130 1.00 73.15 H new ATOM 0 HD22 LEU A 41 4.626 -25.058 -36.961 1.00 73.15 H new ATOM 0 HD23 LEU A 41 4.313 -23.494 -36.173 1.00 73.15 H new ATOM 665 N ASP A 42 5.273 -22.334 -33.078 1.00 4.33 N ATOM 666 CA ASP A 42 6.196 -21.373 -32.484 1.00 14.15 C ATOM 667 C ASP A 42 5.543 -20.646 -31.312 1.00 12.00 C ATOM 668 O ASP A 42 6.195 -20.345 -30.312 1.00 45.20 O ATOM 669 CB ASP A 42 6.658 -20.361 -33.533 1.00 63.55 C ATOM 670 CG ASP A 42 7.522 -20.995 -34.606 1.00 45.21 C ATOM 671 OD1 ASP A 42 6.961 -21.647 -35.511 1.00 24.53 O ATOM 672 OD2 ASP A 42 8.760 -20.839 -34.541 1.00 10.45 O ATOM 0 H ASP A 42 4.787 -21.995 -33.908 1.00 4.33 H new ATOM 0 HA ASP A 42 7.062 -21.921 -32.113 1.00 14.15 H new ATOM 0 HB2 ASP A 42 5.787 -19.900 -33.998 1.00 63.55 H new ATOM 0 HB3 ASP A 42 7.218 -19.564 -33.043 1.00 63.55 H new ATOM 677 N THR A 43 4.250 -20.365 -31.442 1.00 72.35 N ATOM 678 CA THR A 43 3.509 -19.672 -30.396 1.00 51.25 C ATOM 679 C THR A 43 3.715 -20.339 -29.042 1.00 23.34 C ATOM 680 O THR A 43 4.054 -19.680 -28.059 1.00 31.04 O ATOM 681 CB THR A 43 2.002 -19.628 -30.710 1.00 75.33 C ATOM 682 OG1 THR A 43 1.627 -20.779 -31.476 1.00 20.35 O ATOM 683 CG2 THR A 43 1.645 -18.364 -31.478 1.00 72.52 C ATOM 0 H THR A 43 3.694 -20.607 -32.262 1.00 72.35 H new ATOM 0 HA THR A 43 3.895 -18.653 -30.358 1.00 51.25 H new ATOM 0 HB THR A 43 1.457 -19.627 -29.766 1.00 75.33 H new ATOM 0 HG1 THR A 43 1.823 -20.620 -32.423 1.00 20.35 H new ATOM 0 HG21 THR A 43 0.575 -18.356 -31.688 1.00 72.52 H new ATOM 0 HG22 THR A 43 1.904 -17.490 -30.881 1.00 72.52 H new ATOM 0 HG23 THR A 43 2.199 -18.340 -32.416 1.00 72.52 H new ATOM 691 N VAL A 44 3.510 -21.652 -28.996 1.00 50.23 N ATOM 692 CA VAL A 44 3.676 -22.409 -27.762 1.00 35.34 C ATOM 693 C VAL A 44 5.016 -22.102 -27.103 1.00 52.55 C ATOM 694 O VAL A 44 5.140 -22.139 -25.880 1.00 23.31 O ATOM 695 CB VAL A 44 3.577 -23.925 -28.016 1.00 31.34 C ATOM 696 CG1 VAL A 44 4.756 -24.405 -28.848 1.00 22.23 C ATOM 697 CG2 VAL A 44 3.500 -24.682 -26.698 1.00 43.12 C ATOM 0 H VAL A 44 3.229 -22.213 -29.800 1.00 50.23 H new ATOM 0 HA VAL A 44 2.869 -22.106 -27.095 1.00 35.34 H new ATOM 0 HB VAL A 44 2.663 -24.123 -28.576 1.00 31.34 H new ATOM 0 HG11 VAL A 44 4.669 -25.478 -29.017 1.00 22.23 H new ATOM 0 HG12 VAL A 44 4.760 -23.886 -29.806 1.00 22.23 H new ATOM 0 HG13 VAL A 44 5.685 -24.196 -28.318 1.00 22.23 H new ATOM 0 HG21 VAL A 44 3.430 -25.752 -26.896 1.00 43.12 H new ATOM 0 HG22 VAL A 44 4.395 -24.479 -26.109 1.00 43.12 H new ATOM 0 HG23 VAL A 44 2.620 -24.358 -26.143 1.00 43.12 H new ATOM 707 N GLU A 45 6.016 -21.796 -27.925 1.00 31.45 N ATOM 708 CA GLU A 45 7.348 -21.482 -27.421 1.00 72.21 C ATOM 709 C GLU A 45 7.447 -20.012 -27.025 1.00 50.34 C ATOM 710 O GLU A 45 8.089 -19.666 -26.033 1.00 23.02 O ATOM 711 CB GLU A 45 8.406 -21.810 -28.476 1.00 65.21 C ATOM 712 CG GLU A 45 9.804 -21.349 -28.100 1.00 3.34 C ATOM 713 CD GLU A 45 10.890 -22.163 -28.776 1.00 74.51 C ATOM 714 OE1 GLU A 45 11.126 -23.311 -28.346 1.00 21.45 O ATOM 715 OE2 GLU A 45 11.502 -21.652 -29.737 1.00 24.40 O ATOM 0 H GLU A 45 5.929 -21.759 -28.941 1.00 31.45 H new ATOM 0 HA GLU A 45 7.527 -22.092 -26.535 1.00 72.21 H new ATOM 0 HB2 GLU A 45 8.420 -22.887 -28.642 1.00 65.21 H new ATOM 0 HB3 GLU A 45 8.121 -21.346 -29.420 1.00 65.21 H new ATOM 0 HG2 GLU A 45 9.921 -20.299 -28.370 1.00 3.34 H new ATOM 0 HG3 GLU A 45 9.926 -21.415 -27.019 1.00 3.34 H new ATOM 722 N LEU A 46 6.807 -19.150 -27.808 1.00 64.15 N ATOM 723 CA LEU A 46 6.823 -17.716 -27.541 1.00 70.13 C ATOM 724 C LEU A 46 6.074 -17.394 -26.252 1.00 24.21 C ATOM 725 O LEU A 46 6.613 -16.747 -25.355 1.00 4.31 O ATOM 726 CB LEU A 46 6.199 -16.953 -28.711 1.00 1.41 C ATOM 727 CG LEU A 46 6.928 -17.065 -30.050 1.00 52.55 C ATOM 728 CD1 LEU A 46 5.968 -16.813 -31.203 1.00 10.11 C ATOM 729 CD2 LEU A 46 8.096 -16.091 -30.105 1.00 23.20 C ATOM 0 H LEU A 46 6.271 -19.419 -28.633 1.00 64.15 H new ATOM 0 HA LEU A 46 7.861 -17.404 -27.424 1.00 70.13 H new ATOM 0 HB2 LEU A 46 5.177 -17.307 -28.846 1.00 1.41 H new ATOM 0 HB3 LEU A 46 6.138 -15.899 -28.440 1.00 1.41 H new ATOM 0 HG LEU A 46 7.320 -18.078 -30.144 1.00 52.55 H new ATOM 0 HD11 LEU A 46 6.505 -16.897 -32.148 1.00 10.11 H new ATOM 0 HD12 LEU A 46 5.165 -17.549 -31.175 1.00 10.11 H new ATOM 0 HD13 LEU A 46 5.546 -15.812 -31.113 1.00 10.11 H new ATOM 0 HD21 LEU A 46 8.603 -16.185 -31.065 1.00 23.20 H new ATOM 0 HD22 LEU A 46 7.726 -15.072 -29.988 1.00 23.20 H new ATOM 0 HD23 LEU A 46 8.797 -16.317 -29.301 1.00 23.20 H new ATOM 741 N MET A 47 4.830 -17.853 -26.166 1.00 51.41 N ATOM 742 CA MET A 47 4.009 -17.616 -24.984 1.00 74.15 C ATOM 743 C MET A 47 4.615 -18.289 -23.757 1.00 42.22 C ATOM 744 O MET A 47 4.468 -17.804 -22.636 1.00 1.41 O ATOM 745 CB MET A 47 2.587 -18.133 -25.213 1.00 70.15 C ATOM 746 CG MET A 47 1.986 -17.692 -26.538 1.00 61.44 C ATOM 747 SD MET A 47 0.183 -17.729 -26.530 1.00 4.22 S ATOM 748 CE MET A 47 -0.119 -19.487 -26.369 1.00 0.23 C ATOM 0 H MET A 47 4.369 -18.391 -26.900 1.00 51.41 H new ATOM 0 HA MET A 47 3.974 -16.541 -24.807 1.00 74.15 H new ATOM 0 HB2 MET A 47 2.594 -19.222 -25.171 1.00 70.15 H new ATOM 0 HB3 MET A 47 1.948 -17.787 -24.400 1.00 70.15 H new ATOM 0 HG2 MET A 47 2.324 -16.681 -26.767 1.00 61.44 H new ATOM 0 HG3 MET A 47 2.355 -18.339 -27.333 1.00 61.44 H new ATOM 0 HE1 MET A 47 -1.193 -19.675 -26.385 1.00 0.23 H new ATOM 0 HE2 MET A 47 0.354 -20.015 -27.197 1.00 0.23 H new ATOM 0 HE3 MET A 47 0.297 -19.843 -25.427 1.00 0.23 H new ATOM 758 N MET A 48 5.297 -19.408 -23.978 1.00 32.23 N ATOM 759 CA MET A 48 5.926 -20.146 -22.889 1.00 22.32 C ATOM 760 C MET A 48 6.798 -19.226 -22.041 1.00 1.23 C ATOM 761 O MET A 48 6.855 -19.361 -20.819 1.00 32.41 O ATOM 762 CB MET A 48 6.768 -21.297 -23.444 1.00 1.12 C ATOM 763 CG MET A 48 7.708 -21.911 -22.419 1.00 63.13 C ATOM 764 SD MET A 48 6.843 -22.520 -20.960 1.00 32.34 S ATOM 765 CE MET A 48 8.201 -22.684 -19.804 1.00 5.40 C ATOM 0 H MET A 48 5.428 -19.823 -24.900 1.00 32.23 H new ATOM 0 HA MET A 48 5.137 -20.554 -22.257 1.00 22.32 H new ATOM 0 HB2 MET A 48 6.103 -22.072 -23.825 1.00 1.12 H new ATOM 0 HB3 MET A 48 7.352 -20.934 -24.290 1.00 1.12 H new ATOM 0 HG2 MET A 48 8.256 -22.732 -22.881 1.00 63.13 H new ATOM 0 HG3 MET A 48 8.444 -21.167 -22.116 1.00 63.13 H new ATOM 0 HE1 MET A 48 7.903 -22.287 -18.834 1.00 5.40 H new ATOM 0 HE2 MET A 48 8.465 -23.736 -19.700 1.00 5.40 H new ATOM 0 HE3 MET A 48 9.063 -22.128 -20.174 1.00 5.40 H new ATOM 775 N ALA A 49 7.476 -18.290 -22.697 1.00 61.01 N ATOM 776 CA ALA A 49 8.343 -17.347 -22.003 1.00 5.52 C ATOM 777 C ALA A 49 7.585 -16.611 -20.903 1.00 44.20 C ATOM 778 O ALA A 49 8.161 -16.243 -19.879 1.00 23.45 O ATOM 779 CB ALA A 49 8.941 -16.354 -22.989 1.00 72.25 C ATOM 0 H ALA A 49 7.441 -18.165 -23.709 1.00 61.01 H new ATOM 0 HA ALA A 49 9.151 -17.911 -21.537 1.00 5.52 H new ATOM 0 HB1 ALA A 49 9.586 -15.656 -22.456 1.00 72.25 H new ATOM 0 HB2 ALA A 49 9.526 -16.891 -23.736 1.00 72.25 H new ATOM 0 HB3 ALA A 49 8.140 -15.803 -23.482 1.00 72.25 H new ATOM 785 N ILE A 50 6.292 -16.399 -21.122 1.00 43.45 N ATOM 786 CA ILE A 50 5.456 -15.707 -20.149 1.00 42.02 C ATOM 787 C ILE A 50 5.343 -16.506 -18.855 1.00 43.22 C ATOM 788 O ILE A 50 5.066 -15.949 -17.793 1.00 64.24 O ATOM 789 CB ILE A 50 4.043 -15.448 -20.704 1.00 42.42 C ATOM 790 CG1 ILE A 50 4.117 -14.574 -21.958 1.00 54.12 C ATOM 791 CG2 ILE A 50 3.170 -14.791 -19.645 1.00 64.20 C ATOM 792 CD1 ILE A 50 4.632 -13.177 -21.692 1.00 0.10 C ATOM 0 H ILE A 50 5.800 -16.697 -21.965 1.00 43.45 H new ATOM 0 HA ILE A 50 5.937 -14.751 -19.942 1.00 42.02 H new ATOM 0 HB ILE A 50 3.594 -16.404 -20.975 1.00 42.42 H new ATOM 0 HG12 ILE A 50 4.764 -15.057 -22.690 1.00 54.12 H new ATOM 0 HG13 ILE A 50 3.125 -14.508 -22.404 1.00 54.12 H new ATOM 0 HG21 ILE A 50 2.175 -14.614 -20.052 1.00 64.20 H new ATOM 0 HG22 ILE A 50 3.096 -15.446 -18.777 1.00 64.20 H new ATOM 0 HG23 ILE A 50 3.613 -13.841 -19.346 1.00 64.20 H new ATOM 0 HD11 ILE A 50 4.657 -12.615 -22.625 1.00 0.10 H new ATOM 0 HD12 ILE A 50 3.973 -12.675 -20.984 1.00 0.10 H new ATOM 0 HD13 ILE A 50 5.637 -13.233 -21.275 1.00 0.10 H new ATOM 804 N GLU A 51 5.561 -17.814 -18.952 1.00 44.45 N ATOM 805 CA GLU A 51 5.485 -18.689 -17.789 1.00 11.34 C ATOM 806 C GLU A 51 6.785 -18.647 -16.990 1.00 74.02 C ATOM 807 O GLU A 51 6.770 -18.564 -15.762 1.00 14.00 O ATOM 808 CB GLU A 51 5.185 -20.125 -18.222 1.00 24.32 C ATOM 809 CG GLU A 51 4.084 -20.230 -19.263 1.00 33.01 C ATOM 810 CD GLU A 51 2.728 -19.823 -18.720 1.00 54.32 C ATOM 811 OE1 GLU A 51 2.590 -19.724 -17.483 1.00 11.22 O ATOM 812 OE2 GLU A 51 1.805 -19.603 -19.532 1.00 34.11 O ATOM 0 H GLU A 51 5.792 -18.290 -19.824 1.00 44.45 H new ATOM 0 HA GLU A 51 4.676 -18.333 -17.151 1.00 11.34 H new ATOM 0 HB2 GLU A 51 6.095 -20.572 -18.622 1.00 24.32 H new ATOM 0 HB3 GLU A 51 4.901 -20.708 -17.346 1.00 24.32 H new ATOM 0 HG2 GLU A 51 4.334 -19.599 -20.116 1.00 33.01 H new ATOM 0 HG3 GLU A 51 4.032 -21.255 -19.629 1.00 33.01 H new ATOM 819 N VAL A 52 7.909 -18.706 -17.697 1.00 72.02 N ATOM 820 CA VAL A 52 9.218 -18.675 -17.056 1.00 12.41 C ATOM 821 C VAL A 52 9.598 -17.254 -16.653 1.00 23.42 C ATOM 822 O VAL A 52 10.489 -17.051 -15.829 1.00 2.22 O ATOM 823 CB VAL A 52 10.310 -19.244 -17.981 1.00 12.00 C ATOM 824 CG1 VAL A 52 10.137 -20.746 -18.150 1.00 52.32 C ATOM 825 CG2 VAL A 52 10.285 -18.541 -19.330 1.00 12.24 C ATOM 0 H VAL A 52 7.939 -18.776 -18.714 1.00 72.02 H new ATOM 0 HA VAL A 52 9.149 -19.297 -16.164 1.00 12.41 H new ATOM 0 HB VAL A 52 11.282 -19.064 -17.521 1.00 12.00 H new ATOM 0 HG11 VAL A 52 10.917 -21.131 -18.807 1.00 52.32 H new ATOM 0 HG12 VAL A 52 10.209 -21.232 -17.177 1.00 52.32 H new ATOM 0 HG13 VAL A 52 9.160 -20.953 -18.587 1.00 52.32 H new ATOM 0 HG21 VAL A 52 11.063 -18.956 -19.971 1.00 12.24 H new ATOM 0 HG22 VAL A 52 9.312 -18.688 -19.799 1.00 12.24 H new ATOM 0 HG23 VAL A 52 10.462 -17.475 -19.188 1.00 12.24 H new ATOM 835 N GLU A 53 8.916 -16.276 -17.239 1.00 43.35 N ATOM 836 CA GLU A 53 9.184 -14.874 -16.941 1.00 11.31 C ATOM 837 C GLU A 53 8.402 -14.421 -15.711 1.00 4.40 C ATOM 838 O GLU A 53 8.979 -13.914 -14.748 1.00 15.00 O ATOM 839 CB GLU A 53 8.822 -13.996 -18.141 1.00 11.33 C ATOM 840 CG GLU A 53 9.891 -13.970 -19.220 1.00 53.24 C ATOM 841 CD GLU A 53 10.873 -12.829 -19.041 1.00 44.13 C ATOM 842 OE1 GLU A 53 10.459 -11.763 -18.540 1.00 12.05 O ATOM 843 OE2 GLU A 53 12.056 -13.002 -19.403 1.00 0.52 O ATOM 0 H GLU A 53 8.174 -16.428 -17.922 1.00 43.35 H new ATOM 0 HA GLU A 53 10.249 -14.770 -16.732 1.00 11.31 H new ATOM 0 HB2 GLU A 53 7.889 -14.355 -18.575 1.00 11.33 H new ATOM 0 HB3 GLU A 53 8.642 -12.978 -17.795 1.00 11.33 H new ATOM 0 HG2 GLU A 53 10.433 -14.916 -19.212 1.00 53.24 H new ATOM 0 HG3 GLU A 53 9.414 -13.884 -20.196 1.00 53.24 H new ATOM 850 N TYR A 54 7.088 -14.606 -15.751 1.00 72.15 N ATOM 851 CA TYR A 54 6.226 -14.214 -14.643 1.00 21.15 C ATOM 852 C TYR A 54 6.214 -15.286 -13.557 1.00 33.10 C ATOM 853 O TYR A 54 5.958 -14.999 -12.388 1.00 60.42 O ATOM 854 CB TYR A 54 4.802 -13.960 -15.141 1.00 23.35 C ATOM 855 CG TYR A 54 4.535 -12.516 -15.501 1.00 63.42 C ATOM 856 CD1 TYR A 54 4.775 -11.496 -14.589 1.00 74.11 C ATOM 857 CD2 TYR A 54 4.045 -12.173 -16.755 1.00 15.41 C ATOM 858 CE1 TYR A 54 4.531 -10.176 -14.914 1.00 43.23 C ATOM 859 CE2 TYR A 54 3.800 -10.855 -17.089 1.00 53.33 C ATOM 860 CZ TYR A 54 4.044 -9.860 -16.165 1.00 62.15 C ATOM 861 OH TYR A 54 3.802 -8.546 -16.494 1.00 11.23 O ATOM 0 H TYR A 54 6.596 -15.026 -16.540 1.00 72.15 H new ATOM 0 HA TYR A 54 6.623 -13.293 -14.215 1.00 21.15 H new ATOM 0 HB2 TYR A 54 4.615 -14.584 -16.015 1.00 23.35 H new ATOM 0 HB3 TYR A 54 4.096 -14.270 -14.371 1.00 23.35 H new ATOM 0 HD1 TYR A 54 5.159 -11.739 -13.609 1.00 74.11 H new ATOM 0 HD2 TYR A 54 3.852 -12.949 -17.481 1.00 15.41 H new ATOM 0 HE1 TYR A 54 4.721 -9.395 -14.192 1.00 43.23 H new ATOM 0 HE2 TYR A 54 3.419 -10.605 -18.068 1.00 53.33 H new ATOM 0 HH TYR A 54 3.463 -8.496 -17.412 1.00 11.23 H new ATOM 871 N GLY A 55 6.493 -16.524 -13.954 1.00 31.14 N ATOM 872 CA GLY A 55 6.509 -17.621 -13.004 1.00 25.31 C ATOM 873 C GLY A 55 5.119 -18.005 -12.537 1.00 63.22 C ATOM 874 O GLY A 55 4.862 -18.091 -11.336 1.00 25.10 O ATOM 0 H GLY A 55 6.708 -16.787 -14.916 1.00 31.14 H new ATOM 0 HA2 GLY A 55 6.987 -18.487 -13.462 1.00 25.31 H new ATOM 0 HA3 GLY A 55 7.114 -17.342 -12.142 1.00 25.31 H new ATOM 878 N ILE A 56 4.220 -18.235 -13.488 1.00 42.11 N ATOM 879 CA ILE A 56 2.849 -18.611 -13.167 1.00 51.13 C ATOM 880 C ILE A 56 2.345 -19.703 -14.104 1.00 71.33 C ATOM 881 O ILE A 56 3.077 -20.176 -14.973 1.00 62.55 O ATOM 882 CB ILE A 56 1.899 -17.401 -13.250 1.00 25.02 C ATOM 883 CG1 ILE A 56 2.114 -16.646 -14.563 1.00 53.41 C ATOM 884 CG2 ILE A 56 2.114 -16.477 -12.060 1.00 71.41 C ATOM 885 CD1 ILE A 56 1.204 -15.448 -14.727 1.00 23.04 C ATOM 0 H ILE A 56 4.416 -18.168 -14.487 1.00 42.11 H new ATOM 0 HA ILE A 56 2.856 -18.988 -12.144 1.00 51.13 H new ATOM 0 HB ILE A 56 0.871 -17.762 -13.224 1.00 25.02 H new ATOM 0 HG12 ILE A 56 3.151 -16.314 -14.617 1.00 53.41 H new ATOM 0 HG13 ILE A 56 1.955 -17.330 -15.396 1.00 53.41 H new ATOM 0 HG21 ILE A 56 1.436 -15.627 -12.132 1.00 71.41 H new ATOM 0 HG22 ILE A 56 1.916 -17.021 -11.136 1.00 71.41 H new ATOM 0 HG23 ILE A 56 3.144 -16.120 -12.058 1.00 71.41 H new ATOM 0 HD11 ILE A 56 1.412 -14.961 -15.680 1.00 23.04 H new ATOM 0 HD12 ILE A 56 0.164 -15.775 -14.706 1.00 23.04 H new ATOM 0 HD13 ILE A 56 1.379 -14.744 -13.914 1.00 23.04 H new ATOM 897 N ASP A 57 1.090 -20.098 -13.922 1.00 75.05 N ATOM 898 CA ASP A 57 0.485 -21.133 -14.754 1.00 5.05 C ATOM 899 C ASP A 57 -0.740 -20.595 -15.486 1.00 65.15 C ATOM 900 O ASP A 57 -1.541 -19.855 -14.916 1.00 1.34 O ATOM 901 CB ASP A 57 0.095 -22.340 -13.899 1.00 12.21 C ATOM 902 CG ASP A 57 1.290 -22.978 -13.218 1.00 74.33 C ATOM 903 OD1 ASP A 57 1.932 -22.301 -12.389 1.00 23.03 O ATOM 904 OD2 ASP A 57 1.581 -24.156 -13.515 1.00 4.44 O ATOM 0 H ASP A 57 0.471 -19.718 -13.206 1.00 75.05 H new ATOM 0 HA ASP A 57 1.220 -21.445 -15.496 1.00 5.05 H new ATOM 0 HB2 ASP A 57 -0.626 -22.028 -13.144 1.00 12.21 H new ATOM 0 HB3 ASP A 57 -0.400 -23.081 -14.526 1.00 12.21 H new ATOM 909 N ILE A 58 -0.877 -20.971 -16.753 1.00 72.53 N ATOM 910 CA ILE A 58 -2.004 -20.527 -17.564 1.00 12.24 C ATOM 911 C ILE A 58 -2.492 -21.640 -18.485 1.00 12.14 C ATOM 912 O ILE A 58 -1.968 -21.849 -19.579 1.00 11.40 O ATOM 913 CB ILE A 58 -1.636 -19.297 -18.414 1.00 44.20 C ATOM 914 CG1 ILE A 58 -1.235 -18.127 -17.512 1.00 73.52 C ATOM 915 CG2 ILE A 58 -2.800 -18.906 -19.312 1.00 44.22 C ATOM 916 CD1 ILE A 58 0.257 -18.021 -17.288 1.00 12.24 C ATOM 0 H ILE A 58 -0.222 -21.582 -17.240 1.00 72.53 H new ATOM 0 HA ILE A 58 -2.802 -20.255 -16.873 1.00 12.24 H new ATOM 0 HB ILE A 58 -0.785 -19.552 -19.046 1.00 44.20 H new ATOM 0 HG12 ILE A 58 -1.595 -17.198 -17.954 1.00 73.52 H new ATOM 0 HG13 ILE A 58 -1.732 -18.235 -16.548 1.00 73.52 H new ATOM 0 HG21 ILE A 58 -2.524 -18.035 -19.906 1.00 44.22 H new ATOM 0 HG22 ILE A 58 -3.043 -19.736 -19.975 1.00 44.22 H new ATOM 0 HG23 ILE A 58 -3.668 -18.666 -18.698 1.00 44.22 H new ATOM 0 HD11 ILE A 58 0.468 -17.170 -16.640 1.00 12.24 H new ATOM 0 HD12 ILE A 58 0.620 -18.935 -16.817 1.00 12.24 H new ATOM 0 HD13 ILE A 58 0.760 -17.882 -18.245 1.00 12.24 H new ATOM 928 N PRO A 59 -3.522 -22.372 -18.034 1.00 24.21 N ATOM 929 CA PRO A 59 -4.105 -23.475 -18.803 1.00 72.20 C ATOM 930 C PRO A 59 -4.864 -22.987 -20.033 1.00 24.05 C ATOM 931 O PRO A 59 -5.193 -21.806 -20.142 1.00 13.12 O ATOM 932 CB PRO A 59 -5.065 -24.132 -17.808 1.00 74.23 C ATOM 933 CG PRO A 59 -5.418 -23.048 -16.850 1.00 10.24 C ATOM 934 CD PRO A 59 -4.195 -22.179 -16.739 1.00 35.31 C ATOM 0 HA PRO A 59 -3.342 -24.150 -19.190 1.00 72.20 H new ATOM 0 HB2 PRO A 59 -5.951 -24.520 -18.310 1.00 74.23 H new ATOM 0 HB3 PRO A 59 -4.593 -24.972 -17.299 1.00 74.23 H new ATOM 0 HG2 PRO A 59 -6.273 -22.474 -17.208 1.00 10.24 H new ATOM 0 HG3 PRO A 59 -5.694 -23.460 -15.879 1.00 10.24 H new ATOM 0 HD2 PRO A 59 -4.458 -21.134 -16.574 1.00 35.31 H new ATOM 0 HD3 PRO A 59 -3.560 -22.483 -15.907 1.00 35.31 H new ATOM 942 N ASP A 60 -5.138 -23.903 -20.955 1.00 44.20 N ATOM 943 CA ASP A 60 -5.859 -23.565 -22.177 1.00 31.54 C ATOM 944 C ASP A 60 -7.139 -22.800 -21.858 1.00 13.42 C ATOM 945 O ASP A 60 -7.531 -21.892 -22.592 1.00 5.12 O ATOM 946 CB ASP A 60 -6.191 -24.833 -22.965 1.00 34.53 C ATOM 947 CG ASP A 60 -6.604 -25.982 -22.066 1.00 34.23 C ATOM 948 OD1 ASP A 60 -7.695 -25.901 -21.464 1.00 34.41 O ATOM 949 OD2 ASP A 60 -5.836 -26.962 -21.963 1.00 52.23 O ATOM 0 H ASP A 60 -4.872 -24.885 -20.880 1.00 44.20 H new ATOM 0 HA ASP A 60 -5.217 -22.927 -22.784 1.00 31.54 H new ATOM 0 HB2 ASP A 60 -6.995 -24.619 -23.669 1.00 34.53 H new ATOM 0 HB3 ASP A 60 -5.323 -25.130 -23.553 1.00 34.53 H new ATOM 954 N ASP A 61 -7.787 -23.172 -20.760 1.00 35.32 N ATOM 955 CA ASP A 61 -9.024 -22.521 -20.344 1.00 1.45 C ATOM 956 C ASP A 61 -8.806 -21.026 -20.131 1.00 44.24 C ATOM 957 O ASP A 61 -9.676 -20.212 -20.439 1.00 33.52 O ATOM 958 CB ASP A 61 -9.554 -23.159 -19.059 1.00 11.44 C ATOM 959 CG ASP A 61 -11.033 -22.899 -18.851 1.00 73.20 C ATOM 960 OD1 ASP A 61 -11.618 -22.134 -19.646 1.00 34.40 O ATOM 961 OD2 ASP A 61 -11.606 -23.460 -17.893 1.00 62.21 O ATOM 0 H ASP A 61 -7.476 -23.921 -20.142 1.00 35.32 H new ATOM 0 HA ASP A 61 -9.760 -22.654 -21.137 1.00 1.45 H new ATOM 0 HB2 ASP A 61 -9.378 -24.234 -19.091 1.00 11.44 H new ATOM 0 HB3 ASP A 61 -8.996 -22.770 -18.207 1.00 11.44 H new ATOM 966 N GLU A 62 -7.638 -20.672 -19.603 1.00 61.43 N ATOM 967 CA GLU A 62 -7.307 -19.275 -19.349 1.00 30.34 C ATOM 968 C GLU A 62 -6.298 -18.760 -20.371 1.00 20.02 C ATOM 969 O GLU A 62 -5.728 -17.682 -20.207 1.00 24.04 O ATOM 970 CB GLU A 62 -6.746 -19.111 -17.934 1.00 54.54 C ATOM 971 CG GLU A 62 -7.568 -19.816 -16.868 1.00 44.41 C ATOM 972 CD GLU A 62 -8.979 -19.270 -16.763 1.00 24.22 C ATOM 973 OE1 GLU A 62 -9.776 -19.507 -17.694 1.00 54.21 O ATOM 974 OE2 GLU A 62 -9.285 -18.607 -15.750 1.00 41.12 O ATOM 0 H GLU A 62 -6.906 -21.333 -19.343 1.00 61.43 H new ATOM 0 HA GLU A 62 -8.221 -18.689 -19.441 1.00 30.34 H new ATOM 0 HB2 GLU A 62 -5.727 -19.497 -17.909 1.00 54.54 H new ATOM 0 HB3 GLU A 62 -6.691 -18.049 -17.695 1.00 54.54 H new ATOM 0 HG2 GLU A 62 -7.611 -20.882 -17.093 1.00 44.41 H new ATOM 0 HG3 GLU A 62 -7.070 -19.714 -15.904 1.00 44.41 H new ATOM 981 N ALA A 63 -6.083 -19.539 -21.426 1.00 21.23 N ATOM 982 CA ALA A 63 -5.144 -19.162 -22.475 1.00 55.04 C ATOM 983 C ALA A 63 -5.473 -17.782 -23.035 1.00 63.13 C ATOM 984 O ALA A 63 -4.577 -17.009 -23.375 1.00 44.32 O ATOM 985 CB ALA A 63 -5.151 -20.200 -23.588 1.00 33.35 C ATOM 0 H ALA A 63 -6.546 -20.435 -21.577 1.00 21.23 H new ATOM 0 HA ALA A 63 -4.146 -19.121 -22.038 1.00 55.04 H new ATOM 0 HB1 ALA A 63 -4.445 -19.906 -24.365 1.00 33.35 H new ATOM 0 HB2 ALA A 63 -4.861 -21.170 -23.183 1.00 33.35 H new ATOM 0 HB3 ALA A 63 -6.152 -20.269 -24.015 1.00 33.35 H new ATOM 991 N THR A 64 -6.764 -17.479 -23.130 1.00 4.51 N ATOM 992 CA THR A 64 -7.210 -16.193 -23.651 1.00 12.35 C ATOM 993 C THR A 64 -7.498 -15.212 -22.520 1.00 1.42 C ATOM 994 O THR A 64 -8.175 -14.202 -22.716 1.00 73.54 O ATOM 995 CB THR A 64 -8.475 -16.346 -24.516 1.00 50.33 C ATOM 996 OG1 THR A 64 -8.846 -15.079 -25.071 1.00 4.53 O ATOM 997 CG2 THR A 64 -9.628 -16.903 -23.696 1.00 15.34 C ATOM 0 H THR A 64 -7.519 -18.107 -22.853 1.00 4.51 H new ATOM 0 HA THR A 64 -6.401 -15.804 -24.269 1.00 12.35 H new ATOM 0 HB THR A 64 -8.253 -17.045 -25.323 1.00 50.33 H new ATOM 0 HG1 THR A 64 -8.676 -14.372 -24.414 1.00 4.53 H new ATOM 0 HG21 THR A 64 -10.510 -17.002 -24.329 1.00 15.34 H new ATOM 0 HG22 THR A 64 -9.354 -17.881 -23.300 1.00 15.34 H new ATOM 0 HG23 THR A 64 -9.848 -16.226 -22.871 1.00 15.34 H new ATOM 1005 N LYS A 65 -6.978 -15.513 -21.335 1.00 35.34 N ATOM 1006 CA LYS A 65 -7.177 -14.657 -20.171 1.00 73.13 C ATOM 1007 C LYS A 65 -5.946 -13.795 -19.913 1.00 64.22 C ATOM 1008 O LYS A 65 -5.936 -12.968 -19.001 1.00 23.11 O ATOM 1009 CB LYS A 65 -7.488 -15.505 -18.936 1.00 3.15 C ATOM 1010 CG LYS A 65 -8.555 -14.903 -18.038 1.00 21.43 C ATOM 1011 CD LYS A 65 -9.270 -15.972 -17.229 1.00 34.33 C ATOM 1012 CE LYS A 65 -10.389 -16.621 -18.029 1.00 32.40 C ATOM 1013 NZ LYS A 65 -11.438 -15.637 -18.415 1.00 33.43 N ATOM 0 H LYS A 65 -6.415 -16.344 -21.155 1.00 35.34 H new ATOM 0 HA LYS A 65 -8.022 -14.000 -20.375 1.00 73.13 H new ATOM 0 HB2 LYS A 65 -7.812 -16.495 -19.257 1.00 3.15 H new ATOM 0 HB3 LYS A 65 -6.573 -15.640 -18.359 1.00 3.15 H new ATOM 0 HG2 LYS A 65 -8.098 -14.179 -17.363 1.00 21.43 H new ATOM 0 HG3 LYS A 65 -9.279 -14.360 -18.645 1.00 21.43 H new ATOM 0 HD2 LYS A 65 -8.555 -16.733 -16.918 1.00 34.33 H new ATOM 0 HD3 LYS A 65 -9.680 -15.529 -16.321 1.00 34.33 H new ATOM 0 HE2 LYS A 65 -9.975 -17.081 -18.926 1.00 32.40 H new ATOM 0 HE3 LYS A 65 -10.840 -17.420 -17.441 1.00 32.40 H new ATOM 0 HZ1 LYS A 65 -12.336 -16.134 -18.581 1.00 33.43 H new ATOM 0 HZ2 LYS A 65 -11.562 -14.944 -17.650 1.00 33.43 H new ATOM 0 HZ3 LYS A 65 -11.149 -15.144 -19.284 1.00 33.43 H new ATOM 1027 N ILE A 66 -4.910 -13.993 -20.722 1.00 75.13 N ATOM 1028 CA ILE A 66 -3.675 -13.232 -20.582 1.00 55.32 C ATOM 1029 C ILE A 66 -3.059 -12.929 -21.944 1.00 22.04 C ATOM 1030 O ILE A 66 -1.900 -12.523 -22.037 1.00 13.23 O ATOM 1031 CB ILE A 66 -2.645 -13.984 -19.720 1.00 63.42 C ATOM 1032 CG1 ILE A 66 -1.906 -15.026 -20.563 1.00 43.32 C ATOM 1033 CG2 ILE A 66 -3.329 -14.645 -18.533 1.00 21.03 C ATOM 1034 CD1 ILE A 66 -2.828 -15.948 -21.329 1.00 60.21 C ATOM 0 H ILE A 66 -4.902 -14.674 -21.481 1.00 75.13 H new ATOM 0 HA ILE A 66 -3.935 -12.296 -20.087 1.00 55.32 H new ATOM 0 HB ILE A 66 -1.917 -13.266 -19.342 1.00 63.42 H new ATOM 0 HG12 ILE A 66 -1.251 -14.513 -21.267 1.00 43.32 H new ATOM 0 HG13 ILE A 66 -1.268 -15.623 -19.911 1.00 43.32 H new ATOM 0 HG21 ILE A 66 -2.587 -15.173 -17.933 1.00 21.03 H new ATOM 0 HG22 ILE A 66 -3.814 -13.884 -17.922 1.00 21.03 H new ATOM 0 HG23 ILE A 66 -4.076 -15.353 -18.892 1.00 21.03 H new ATOM 0 HD11 ILE A 66 -2.235 -16.660 -21.904 1.00 60.21 H new ATOM 0 HD12 ILE A 66 -3.466 -16.488 -20.629 1.00 60.21 H new ATOM 0 HD13 ILE A 66 -3.448 -15.361 -22.007 1.00 60.21 H new ATOM 1046 N LYS A 67 -3.841 -13.128 -22.999 1.00 14.02 N ATOM 1047 CA LYS A 67 -3.375 -12.874 -24.357 1.00 10.23 C ATOM 1048 C LYS A 67 -3.245 -11.376 -24.616 1.00 31.30 C ATOM 1049 O LYS A 67 -2.212 -10.905 -25.092 1.00 4.14 O ATOM 1050 CB LYS A 67 -4.335 -13.497 -25.373 1.00 11.33 C ATOM 1051 CG LYS A 67 -3.682 -13.827 -26.703 1.00 61.35 C ATOM 1052 CD LYS A 67 -3.727 -12.644 -27.656 1.00 31.30 C ATOM 1053 CE LYS A 67 -5.114 -12.462 -28.253 1.00 60.55 C ATOM 1054 NZ LYS A 67 -5.369 -13.421 -29.364 1.00 53.13 N ATOM 0 H LYS A 67 -4.802 -13.465 -22.940 1.00 14.02 H new ATOM 0 HA LYS A 67 -2.392 -13.331 -24.469 1.00 10.23 H new ATOM 0 HB2 LYS A 67 -4.758 -14.408 -24.949 1.00 11.33 H new ATOM 0 HB3 LYS A 67 -5.164 -12.811 -25.545 1.00 11.33 H new ATOM 0 HG2 LYS A 67 -2.646 -14.122 -26.537 1.00 61.35 H new ATOM 0 HG3 LYS A 67 -4.188 -14.680 -27.156 1.00 61.35 H new ATOM 0 HD2 LYS A 67 -3.436 -11.737 -27.126 1.00 31.30 H new ATOM 0 HD3 LYS A 67 -3.002 -12.792 -28.456 1.00 31.30 H new ATOM 0 HE2 LYS A 67 -5.865 -12.599 -27.475 1.00 60.55 H new ATOM 0 HE3 LYS A 67 -5.220 -11.442 -28.622 1.00 60.55 H new ATOM 0 HZ1 LYS A 67 -6.324 -13.265 -29.745 1.00 53.13 H new ATOM 0 HZ2 LYS A 67 -4.668 -13.274 -30.118 1.00 53.13 H new ATOM 0 HZ3 LYS A 67 -5.293 -14.395 -29.006 1.00 53.13 H new ATOM 1068 N THR A 68 -4.300 -10.632 -24.299 1.00 41.51 N ATOM 1069 CA THR A 68 -4.303 -9.188 -24.497 1.00 55.34 C ATOM 1070 C THR A 68 -3.619 -8.472 -23.339 1.00 3.12 C ATOM 1071 O THR A 68 -3.688 -8.916 -22.193 1.00 34.51 O ATOM 1072 CB THR A 68 -5.737 -8.645 -24.646 1.00 52.42 C ATOM 1073 OG1 THR A 68 -6.681 -9.627 -24.207 1.00 34.50 O ATOM 1074 CG2 THR A 68 -6.026 -8.267 -26.091 1.00 64.13 C ATOM 0 H THR A 68 -5.163 -11.006 -23.904 1.00 41.51 H new ATOM 0 HA THR A 68 -3.751 -8.994 -25.417 1.00 55.34 H new ATOM 0 HB THR A 68 -5.829 -7.752 -24.028 1.00 52.42 H new ATOM 0 HG1 THR A 68 -7.577 -9.231 -24.182 1.00 34.50 H new ATOM 0 HG21 THR A 68 -7.044 -7.886 -26.171 1.00 64.13 H new ATOM 0 HG22 THR A 68 -5.325 -7.497 -26.413 1.00 64.13 H new ATOM 0 HG23 THR A 68 -5.916 -9.146 -26.726 1.00 64.13 H new ATOM 1082 N VAL A 69 -2.957 -7.360 -23.644 1.00 71.11 N ATOM 1083 CA VAL A 69 -2.261 -6.581 -22.627 1.00 61.11 C ATOM 1084 C VAL A 69 -3.196 -6.215 -21.480 1.00 5.03 C ATOM 1085 O VAL A 69 -2.759 -6.037 -20.343 1.00 11.14 O ATOM 1086 CB VAL A 69 -1.663 -5.291 -23.220 1.00 34.03 C ATOM 1087 CG1 VAL A 69 -0.890 -4.524 -22.158 1.00 62.01 C ATOM 1088 CG2 VAL A 69 -0.774 -5.614 -24.410 1.00 65.43 C ATOM 0 H VAL A 69 -2.888 -6.979 -24.588 1.00 71.11 H new ATOM 0 HA VAL A 69 -1.453 -7.206 -22.247 1.00 61.11 H new ATOM 0 HB VAL A 69 -2.480 -4.659 -23.568 1.00 34.03 H new ATOM 0 HG11 VAL A 69 -0.475 -3.616 -22.595 1.00 62.01 H new ATOM 0 HG12 VAL A 69 -1.560 -4.260 -21.340 1.00 62.01 H new ATOM 0 HG13 VAL A 69 -0.080 -5.146 -21.777 1.00 62.01 H new ATOM 0 HG21 VAL A 69 -0.360 -4.691 -24.816 1.00 65.43 H new ATOM 0 HG22 VAL A 69 0.039 -6.266 -24.091 1.00 65.43 H new ATOM 0 HG23 VAL A 69 -1.362 -6.117 -25.178 1.00 65.43 H new ATOM 1098 N SER A 70 -4.484 -6.105 -21.786 1.00 13.42 N ATOM 1099 CA SER A 70 -5.482 -5.756 -20.781 1.00 24.35 C ATOM 1100 C SER A 70 -5.852 -6.973 -19.938 1.00 60.33 C ATOM 1101 O SER A 70 -6.161 -6.851 -18.753 1.00 2.12 O ATOM 1102 CB SER A 70 -6.733 -5.185 -21.450 1.00 11.03 C ATOM 1103 OG SER A 70 -7.374 -4.240 -20.610 1.00 42.25 O ATOM 0 H SER A 70 -4.862 -6.252 -22.722 1.00 13.42 H new ATOM 0 HA SER A 70 -5.052 -4.998 -20.126 1.00 24.35 H new ATOM 0 HB2 SER A 70 -6.461 -4.712 -22.394 1.00 11.03 H new ATOM 0 HB3 SER A 70 -7.424 -5.994 -21.687 1.00 11.03 H new ATOM 0 HG SER A 70 -8.170 -3.888 -21.061 1.00 42.25 H new ATOM 1109 N ASP A 71 -5.819 -8.147 -20.560 1.00 2.03 N ATOM 1110 CA ASP A 71 -6.150 -9.388 -19.868 1.00 43.35 C ATOM 1111 C ASP A 71 -4.945 -9.918 -19.098 1.00 21.43 C ATOM 1112 O ASP A 71 -5.093 -10.670 -18.134 1.00 51.00 O ATOM 1113 CB ASP A 71 -6.635 -10.439 -20.867 1.00 71.25 C ATOM 1114 CG ASP A 71 -7.881 -9.999 -21.611 1.00 62.43 C ATOM 1115 OD1 ASP A 71 -8.410 -8.914 -21.293 1.00 40.43 O ATOM 1116 OD2 ASP A 71 -8.326 -10.741 -22.512 1.00 51.41 O ATOM 0 H ASP A 71 -5.567 -8.265 -21.541 1.00 2.03 H new ATOM 0 HA ASP A 71 -6.949 -9.178 -19.157 1.00 43.35 H new ATOM 0 HB2 ASP A 71 -5.841 -10.648 -21.585 1.00 71.25 H new ATOM 0 HB3 ASP A 71 -6.840 -11.370 -20.339 1.00 71.25 H new ATOM 1121 N VAL A 72 -3.752 -9.523 -19.530 1.00 5.15 N ATOM 1122 CA VAL A 72 -2.521 -9.959 -18.880 1.00 42.54 C ATOM 1123 C VAL A 72 -2.479 -9.510 -17.424 1.00 32.01 C ATOM 1124 O VAL A 72 -2.509 -10.334 -16.509 1.00 44.12 O ATOM 1125 CB VAL A 72 -1.278 -9.413 -19.610 1.00 34.54 C ATOM 1126 CG1 VAL A 72 -0.008 -9.817 -18.876 1.00 75.52 C ATOM 1127 CG2 VAL A 72 -1.250 -9.901 -21.050 1.00 70.12 C ATOM 0 H VAL A 72 -3.611 -8.902 -20.327 1.00 5.15 H new ATOM 0 HA VAL A 72 -2.510 -11.048 -18.921 1.00 42.54 H new ATOM 0 HB VAL A 72 -1.332 -8.324 -19.621 1.00 34.54 H new ATOM 0 HG11 VAL A 72 0.859 -9.423 -19.406 1.00 75.52 H new ATOM 0 HG12 VAL A 72 -0.029 -9.414 -17.864 1.00 75.52 H new ATOM 0 HG13 VAL A 72 0.057 -10.904 -18.832 1.00 75.52 H new ATOM 0 HG21 VAL A 72 -0.366 -9.506 -21.551 1.00 70.12 H new ATOM 0 HG22 VAL A 72 -1.219 -10.990 -21.064 1.00 70.12 H new ATOM 0 HG23 VAL A 72 -2.145 -9.557 -21.568 1.00 70.12 H new ATOM 1137 N ILE A 73 -2.411 -8.199 -17.216 1.00 32.51 N ATOM 1138 CA ILE A 73 -2.367 -7.641 -15.870 1.00 73.31 C ATOM 1139 C ILE A 73 -3.680 -7.881 -15.133 1.00 13.14 C ATOM 1140 O ILE A 73 -3.718 -7.913 -13.902 1.00 64.33 O ATOM 1141 CB ILE A 73 -2.075 -6.129 -15.897 1.00 31.41 C ATOM 1142 CG1 ILE A 73 -0.851 -5.840 -16.768 1.00 53.24 C ATOM 1143 CG2 ILE A 73 -1.862 -5.606 -14.484 1.00 71.04 C ATOM 1144 CD1 ILE A 73 0.430 -6.434 -16.227 1.00 42.21 C ATOM 0 H ILE A 73 -2.385 -7.504 -17.962 1.00 32.51 H new ATOM 0 HA ILE A 73 -1.559 -8.149 -15.343 1.00 73.31 H new ATOM 0 HB ILE A 73 -2.934 -5.615 -16.328 1.00 31.41 H new ATOM 0 HG12 ILE A 73 -1.028 -6.231 -17.770 1.00 53.24 H new ATOM 0 HG13 ILE A 73 -0.730 -4.761 -16.863 1.00 53.24 H new ATOM 0 HG21 ILE A 73 -1.657 -4.536 -14.519 1.00 71.04 H new ATOM 0 HG22 ILE A 73 -2.759 -5.784 -13.891 1.00 71.04 H new ATOM 0 HG23 ILE A 73 -1.017 -6.123 -14.028 1.00 71.04 H new ATOM 0 HD11 ILE A 73 1.255 -6.189 -16.895 1.00 42.21 H new ATOM 0 HD12 ILE A 73 0.631 -6.025 -15.237 1.00 42.21 H new ATOM 0 HD13 ILE A 73 0.328 -7.517 -16.158 1.00 42.21 H new ATOM 1156 N LYS A 74 -4.757 -8.050 -15.892 1.00 60.45 N ATOM 1157 CA LYS A 74 -6.073 -8.291 -15.313 1.00 11.32 C ATOM 1158 C LYS A 74 -6.141 -9.674 -14.673 1.00 14.54 C ATOM 1159 O LYS A 74 -6.546 -9.814 -13.518 1.00 70.43 O ATOM 1160 CB LYS A 74 -7.157 -8.159 -16.385 1.00 71.31 C ATOM 1161 CG LYS A 74 -8.545 -8.534 -15.896 1.00 33.32 C ATOM 1162 CD LYS A 74 -8.862 -9.993 -16.182 1.00 12.45 C ATOM 1163 CE LYS A 74 -9.458 -10.682 -14.964 1.00 30.41 C ATOM 1164 NZ LYS A 74 -10.944 -10.594 -14.948 1.00 54.30 N ATOM 0 H LYS A 74 -4.744 -8.024 -16.912 1.00 60.45 H new ATOM 0 HA LYS A 74 -6.244 -7.543 -14.539 1.00 11.32 H new ATOM 0 HB2 LYS A 74 -7.174 -7.131 -16.748 1.00 71.31 H new ATOM 0 HB3 LYS A 74 -6.896 -8.792 -17.233 1.00 71.31 H new ATOM 0 HG2 LYS A 74 -8.617 -8.349 -14.824 1.00 33.32 H new ATOM 0 HG3 LYS A 74 -9.286 -7.898 -16.380 1.00 33.32 H new ATOM 0 HD2 LYS A 74 -9.560 -10.058 -17.016 1.00 12.45 H new ATOM 0 HD3 LYS A 74 -7.953 -10.511 -16.486 1.00 12.45 H new ATOM 0 HE2 LYS A 74 -9.156 -11.729 -14.956 1.00 30.41 H new ATOM 0 HE3 LYS A 74 -9.058 -10.228 -14.058 1.00 30.41 H new ATOM 0 HZ1 LYS A 74 -11.311 -11.075 -14.102 1.00 54.30 H new ATOM 0 HZ2 LYS A 74 -11.232 -9.595 -14.930 1.00 54.30 H new ATOM 0 HZ3 LYS A 74 -11.328 -11.050 -15.800 1.00 54.30 H new ATOM 1178 N TYR A 75 -5.742 -10.690 -15.428 1.00 74.52 N ATOM 1179 CA TYR A 75 -5.759 -12.062 -14.935 1.00 34.35 C ATOM 1180 C TYR A 75 -4.566 -12.328 -14.022 1.00 42.31 C ATOM 1181 O TYR A 75 -4.728 -12.756 -12.879 1.00 4.31 O ATOM 1182 CB TYR A 75 -5.750 -13.048 -16.104 1.00 54.34 C ATOM 1183 CG TYR A 75 -5.627 -14.493 -15.678 1.00 4.03 C ATOM 1184 CD1 TYR A 75 -6.755 -15.253 -15.394 1.00 2.12 C ATOM 1185 CD2 TYR A 75 -4.382 -15.098 -15.557 1.00 61.45 C ATOM 1186 CE1 TYR A 75 -6.647 -16.574 -15.003 1.00 3.50 C ATOM 1187 CE2 TYR A 75 -4.264 -16.419 -15.169 1.00 14.33 C ATOM 1188 CZ TYR A 75 -5.399 -17.152 -14.892 1.00 75.04 C ATOM 1189 OH TYR A 75 -5.287 -18.467 -14.504 1.00 25.15 O ATOM 0 H TYR A 75 -5.402 -10.590 -16.385 1.00 74.52 H new ATOM 0 HA TYR A 75 -6.673 -12.201 -14.358 1.00 34.35 H new ATOM 0 HB2 TYR A 75 -6.668 -12.925 -16.679 1.00 54.34 H new ATOM 0 HB3 TYR A 75 -4.922 -12.802 -16.769 1.00 54.34 H new ATOM 0 HD1 TYR A 75 -7.733 -14.803 -15.480 1.00 2.12 H new ATOM 0 HD2 TYR A 75 -3.491 -14.526 -15.770 1.00 61.45 H new ATOM 0 HE1 TYR A 75 -7.534 -17.151 -14.786 1.00 3.50 H new ATOM 0 HE2 TYR A 75 -3.289 -16.875 -15.083 1.00 14.33 H new ATOM 0 HH TYR A 75 -4.341 -18.720 -14.476 1.00 25.15 H new ATOM 1199 N ILE A 76 -3.368 -12.070 -14.536 1.00 0.10 N ATOM 1200 CA ILE A 76 -2.147 -12.279 -13.768 1.00 42.11 C ATOM 1201 C ILE A 76 -2.238 -11.613 -12.399 1.00 64.31 C ATOM 1202 O ILE A 76 -1.596 -12.047 -11.442 1.00 11.53 O ATOM 1203 CB ILE A 76 -0.914 -11.732 -14.511 1.00 42.04 C ATOM 1204 CG1 ILE A 76 -0.685 -12.512 -15.808 1.00 32.03 C ATOM 1205 CG2 ILE A 76 0.317 -11.803 -13.620 1.00 31.41 C ATOM 1206 CD1 ILE A 76 0.511 -12.031 -16.599 1.00 74.15 C ATOM 0 H ILE A 76 -3.217 -11.716 -15.481 1.00 0.10 H new ATOM 0 HA ILE A 76 -2.036 -13.356 -13.639 1.00 42.11 H new ATOM 0 HB ILE A 76 -1.095 -10.687 -14.764 1.00 42.04 H new ATOM 0 HG12 ILE A 76 -0.552 -13.567 -15.569 1.00 32.03 H new ATOM 0 HG13 ILE A 76 -1.577 -12.436 -16.430 1.00 32.03 H new ATOM 0 HG21 ILE A 76 1.180 -11.413 -14.160 1.00 31.41 H new ATOM 0 HG22 ILE A 76 0.151 -11.208 -12.722 1.00 31.41 H new ATOM 0 HG23 ILE A 76 0.503 -12.839 -13.339 1.00 31.41 H new ATOM 0 HD11 ILE A 76 0.612 -12.629 -17.505 1.00 74.15 H new ATOM 0 HD12 ILE A 76 0.372 -10.984 -16.869 1.00 74.15 H new ATOM 0 HD13 ILE A 76 1.412 -12.133 -15.994 1.00 74.15 H new ATOM 1218 N LYS A 77 -3.041 -10.558 -12.312 1.00 65.15 N ATOM 1219 CA LYS A 77 -3.219 -9.833 -11.060 1.00 54.02 C ATOM 1220 C LYS A 77 -3.560 -10.789 -9.922 1.00 23.24 C ATOM 1221 O LYS A 77 -2.798 -10.924 -8.965 1.00 20.52 O ATOM 1222 CB LYS A 77 -4.325 -8.785 -11.208 1.00 5.45 C ATOM 1223 CG LYS A 77 -4.964 -8.386 -9.889 1.00 0.51 C ATOM 1224 CD LYS A 77 -5.649 -7.033 -9.988 1.00 53.02 C ATOM 1225 CE LYS A 77 -5.851 -6.408 -8.616 1.00 62.22 C ATOM 1226 NZ LYS A 77 -6.807 -5.268 -8.661 1.00 54.32 N ATOM 0 H LYS A 77 -3.579 -10.186 -13.095 1.00 65.15 H new ATOM 0 HA LYS A 77 -2.281 -9.332 -10.822 1.00 54.02 H new ATOM 0 HB2 LYS A 77 -3.911 -7.897 -11.685 1.00 5.45 H new ATOM 0 HB3 LYS A 77 -5.096 -9.174 -11.873 1.00 5.45 H new ATOM 0 HG2 LYS A 77 -5.691 -9.142 -9.592 1.00 0.51 H new ATOM 0 HG3 LYS A 77 -4.202 -8.353 -9.110 1.00 0.51 H new ATOM 0 HD2 LYS A 77 -5.051 -6.366 -10.608 1.00 53.02 H new ATOM 0 HD3 LYS A 77 -6.614 -7.148 -10.482 1.00 53.02 H new ATOM 0 HE2 LYS A 77 -6.220 -7.164 -7.923 1.00 62.22 H new ATOM 0 HE3 LYS A 77 -4.892 -6.063 -8.230 1.00 62.22 H new ATOM 0 HZ1 LYS A 77 -6.917 -4.870 -7.707 1.00 54.32 H new ATOM 0 HZ2 LYS A 77 -6.443 -4.535 -9.302 1.00 54.32 H new ATOM 0 HZ3 LYS A 77 -7.730 -5.602 -9.005 1.00 54.32 H new ATOM 1240 N GLU A 78 -4.708 -11.451 -10.033 1.00 45.42 N ATOM 1241 CA GLU A 78 -5.147 -12.395 -9.012 1.00 42.43 C ATOM 1242 C GLU A 78 -4.320 -13.676 -9.064 1.00 45.10 C ATOM 1243 O GLU A 78 -4.329 -14.472 -8.125 1.00 12.21 O ATOM 1244 CB GLU A 78 -6.630 -12.724 -9.195 1.00 63.32 C ATOM 1245 CG GLU A 78 -7.562 -11.711 -8.553 1.00 52.12 C ATOM 1246 CD GLU A 78 -8.937 -12.283 -8.267 1.00 53.55 C ATOM 1247 OE1 GLU A 78 -9.268 -13.345 -8.833 1.00 61.42 O ATOM 1248 OE2 GLU A 78 -9.683 -11.666 -7.477 1.00 62.24 O ATOM 0 H GLU A 78 -5.350 -11.351 -10.819 1.00 45.42 H new ATOM 0 HA GLU A 78 -5.003 -11.930 -8.037 1.00 42.43 H new ATOM 0 HB2 GLU A 78 -6.851 -12.784 -10.261 1.00 63.32 H new ATOM 0 HB3 GLU A 78 -6.830 -13.708 -8.772 1.00 63.32 H new ATOM 0 HG2 GLU A 78 -7.120 -11.355 -7.622 1.00 52.12 H new ATOM 0 HG3 GLU A 78 -7.661 -10.847 -9.210 1.00 52.12 H new ATOM 1255 N ARG A 79 -3.605 -13.868 -10.168 1.00 52.22 N ATOM 1256 CA ARG A 79 -2.774 -15.052 -10.344 1.00 22.51 C ATOM 1257 C ARG A 79 -1.526 -14.976 -9.469 1.00 41.53 C ATOM 1258 O ARG A 79 -0.949 -15.999 -9.104 1.00 31.41 O ATOM 1259 CB ARG A 79 -2.372 -15.206 -11.812 1.00 30.40 C ATOM 1260 CG ARG A 79 -2.432 -16.640 -12.313 1.00 31.33 C ATOM 1261 CD ARG A 79 -1.406 -17.518 -11.614 1.00 2.05 C ATOM 1262 NE ARG A 79 -2.001 -18.304 -10.536 1.00 1.31 N ATOM 1263 CZ ARG A 79 -1.305 -19.114 -9.746 1.00 42.40 C ATOM 1264 NH1 ARG A 79 0.004 -19.243 -9.912 1.00 62.43 N ATOM 1265 NH2 ARG A 79 -1.918 -19.796 -8.787 1.00 0.50 N ATOM 0 H ARG A 79 -3.585 -13.218 -10.954 1.00 52.22 H new ATOM 0 HA ARG A 79 -3.357 -15.922 -10.041 1.00 22.51 H new ATOM 0 HB2 ARG A 79 -3.027 -14.588 -12.426 1.00 30.40 H new ATOM 0 HB3 ARG A 79 -1.359 -14.826 -11.944 1.00 30.40 H new ATOM 0 HG2 ARG A 79 -3.431 -17.043 -12.147 1.00 31.33 H new ATOM 0 HG3 ARG A 79 -2.256 -16.658 -13.389 1.00 31.33 H new ATOM 0 HD2 ARG A 79 -0.947 -18.188 -12.341 1.00 2.05 H new ATOM 0 HD3 ARG A 79 -0.610 -16.893 -11.210 1.00 2.05 H new ATOM 0 HE ARG A 79 -3.006 -18.227 -10.381 1.00 1.31 H new ATOM 0 HH11 ARG A 79 0.479 -18.720 -10.648 1.00 62.43 H new ATOM 0 HH12 ARG A 79 0.536 -19.866 -9.304 1.00 62.43 H new ATOM 0 HH21 ARG A 79 -2.925 -19.699 -8.656 1.00 0.50 H new ATOM 0 HH22 ARG A 79 -1.382 -20.418 -8.181 1.00 0.50 H new ATOM 1279 N GLN A 80 -1.116 -13.755 -9.139 1.00 24.33 N ATOM 1280 CA GLN A 80 0.064 -13.546 -8.308 1.00 44.43 C ATOM 1281 C GLN A 80 -0.301 -13.567 -6.828 1.00 10.43 C ATOM 1282 O GLN A 80 0.532 -13.278 -5.969 1.00 11.15 O ATOM 1283 CB GLN A 80 0.733 -12.216 -8.662 1.00 21.01 C ATOM 1284 CG GLN A 80 1.362 -12.200 -10.046 1.00 32.32 C ATOM 1285 CD GLN A 80 2.413 -13.279 -10.222 1.00 13.33 C ATOM 1286 OE1 GLN A 80 2.888 -13.863 -9.248 1.00 21.13 O ATOM 1287 NE2 GLN A 80 2.781 -13.549 -11.469 1.00 2.25 N ATOM 0 H GLN A 80 -1.583 -12.897 -9.434 1.00 24.33 H new ATOM 0 HA GLN A 80 0.763 -14.360 -8.502 1.00 44.43 H new ATOM 0 HB2 GLN A 80 -0.007 -11.419 -8.599 1.00 21.01 H new ATOM 0 HB3 GLN A 80 1.501 -11.997 -7.920 1.00 21.01 H new ATOM 0 HG2 GLN A 80 0.583 -12.331 -10.797 1.00 32.32 H new ATOM 0 HG3 GLN A 80 1.815 -11.225 -10.224 1.00 32.32 H new ATOM 0 HE21 GLN A 80 2.361 -13.040 -12.246 1.00 2.25 H new ATOM 0 HE22 GLN A 80 3.484 -14.266 -11.649 1.00 2.25 H new ATOM 1296 N SER A 81 -1.552 -13.910 -6.537 1.00 2.32 N ATOM 1297 CA SER A 81 -2.029 -13.964 -5.160 1.00 21.31 C ATOM 1298 C SER A 81 -1.811 -15.352 -4.564 1.00 53.12 C ATOM 1299 O SER A 81 -2.614 -15.827 -3.762 1.00 50.53 O ATOM 1300 CB SER A 81 -3.513 -13.597 -5.097 1.00 43.21 C ATOM 1301 OG SER A 81 -3.836 -12.991 -3.857 1.00 70.43 O ATOM 0 H SER A 81 -2.253 -14.155 -7.236 1.00 2.32 H new ATOM 0 HA SER A 81 -1.459 -13.242 -4.575 1.00 21.31 H new ATOM 0 HB2 SER A 81 -3.758 -12.917 -5.913 1.00 43.21 H new ATOM 0 HB3 SER A 81 -4.119 -14.492 -5.237 1.00 43.21 H new ATOM 0 HG SER A 81 -4.789 -12.764 -3.842 1.00 70.43 H new TER 1307 SER A 81