USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 743 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+ -125:sc= 0.0262 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.4) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0878) USER MOD Single : A 45 SER OG : rot -150:sc= 0.603 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.293 USER MOD Single : A 50 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.243) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 87:sc= 1.35 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -100:sc= -0.466 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.423 K(o=-0.42,f=-1.9) USER MOD Single : A 66 SER OG : rot 130:sc= 0 USER MOD Single : A 74 THR OG1 : rot -94:sc= 0.225 USER MOD Single : A 79 THR OG1 : rot -69:sc= 1.46 USER MOD Single : A 80 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.088) USER MOD Single : A 81 THR OG1 : rot -156:sc= -0.532 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.055 -8.900 -14.266 1.00 74.25 N ATOM 2 CA MET A 1 8.317 -8.175 -14.353 1.00 20.31 C ATOM 3 C MET A 1 8.913 -7.953 -12.966 1.00 74.43 C ATOM 4 O MET A 1 8.219 -8.074 -11.956 1.00 43.22 O ATOM 5 CB MET A 1 8.111 -6.831 -15.053 1.00 51.13 C ATOM 6 CG MET A 1 9.269 -6.430 -15.952 1.00 63.02 C ATOM 7 SD MET A 1 9.390 -7.458 -17.429 1.00 5.41 S ATOM 8 CE MET A 1 9.825 -6.231 -18.660 1.00 74.40 C ATOM 0 H1 MET A 1 7.101 -9.750 -14.864 1.00 74.25 H new ATOM 0 H2 MET A 1 6.883 -9.180 -13.279 1.00 74.25 H new ATOM 0 H3 MET A 1 6.280 -8.288 -14.593 1.00 74.25 H new ATOM 0 HA MET A 1 9.013 -8.777 -14.937 1.00 20.31 H new ATOM 0 HB2 MET A 1 7.199 -6.877 -15.648 1.00 51.13 H new ATOM 0 HB3 MET A 1 7.962 -6.057 -14.300 1.00 51.13 H new ATOM 0 HG2 MET A 1 9.150 -5.388 -16.248 1.00 63.02 H new ATOM 0 HG3 MET A 1 10.200 -6.497 -15.390 1.00 63.02 H new ATOM 0 HE1 MET A 1 9.936 -6.713 -19.631 1.00 74.40 H new ATOM 0 HE2 MET A 1 9.039 -5.478 -18.716 1.00 74.40 H new ATOM 0 HE3 MET A 1 10.765 -5.755 -18.382 1.00 74.40 H new ATOM 18 N SER A 2 10.201 -7.629 -12.925 1.00 70.33 N ATOM 19 CA SER A 2 10.890 -7.395 -11.662 1.00 4.30 C ATOM 20 C SER A 2 12.227 -6.697 -11.894 1.00 63.10 C ATOM 21 O SER A 2 12.652 -6.509 -13.033 1.00 51.11 O ATOM 22 CB SER A 2 11.113 -8.717 -10.925 1.00 43.12 C ATOM 23 OG SER A 2 10.422 -8.734 -9.689 1.00 33.55 O ATOM 0 H SER A 2 10.788 -7.523 -13.752 1.00 70.33 H new ATOM 0 HA SER A 2 10.263 -6.747 -11.049 1.00 4.30 H new ATOM 0 HB2 SER A 2 10.773 -9.545 -11.547 1.00 43.12 H new ATOM 0 HB3 SER A 2 12.179 -8.865 -10.751 1.00 43.12 H new ATOM 0 HG SER A 2 10.579 -9.590 -9.238 1.00 33.55 H new ATOM 29 N ASN A 3 12.886 -6.316 -10.804 1.00 55.32 N ATOM 30 CA ASN A 3 14.174 -5.638 -10.888 1.00 22.14 C ATOM 31 C ASN A 3 14.776 -5.441 -9.500 1.00 10.25 C ATOM 32 O ASN A 3 14.308 -4.611 -8.721 1.00 52.14 O ATOM 33 CB ASN A 3 14.018 -4.285 -11.585 1.00 63.21 C ATOM 34 CG ASN A 3 14.773 -4.222 -12.899 1.00 53.11 C ATOM 35 OD1 ASN A 3 14.179 -4.315 -13.974 1.00 1.04 O ATOM 36 ND2 ASN A 3 16.089 -4.063 -12.819 1.00 33.14 N ATOM 0 H ASN A 3 12.549 -6.465 -9.853 1.00 55.32 H new ATOM 0 HA ASN A 3 14.848 -6.264 -11.472 1.00 22.14 H new ATOM 0 HB2 ASN A 3 12.961 -4.093 -11.767 1.00 63.21 H new ATOM 0 HB3 ASN A 3 14.377 -3.495 -10.925 1.00 63.21 H new ATOM 0 HD21 ASN A 3 16.649 -4.013 -13.670 1.00 33.14 H new ATOM 0 HD22 ASN A 3 16.539 -3.990 -11.907 1.00 33.14 H new ATOM 43 N ASN A 4 15.817 -6.210 -9.197 1.00 41.42 N ATOM 44 CA ASN A 4 16.483 -6.120 -7.903 1.00 45.50 C ATOM 45 C ASN A 4 17.908 -6.660 -7.986 1.00 11.21 C ATOM 46 O ASN A 4 18.232 -7.451 -8.870 1.00 23.41 O ATOM 47 CB ASN A 4 15.694 -6.892 -6.845 1.00 32.15 C ATOM 48 CG ASN A 4 15.727 -8.390 -7.077 1.00 63.23 C ATOM 49 OD1 ASN A 4 15.060 -8.905 -7.974 1.00 74.33 O ATOM 50 ND2 ASN A 4 16.507 -9.097 -6.268 1.00 21.32 N ATOM 0 H ASN A 4 16.217 -6.902 -9.830 1.00 41.42 H new ATOM 0 HA ASN A 4 16.528 -5.069 -7.618 1.00 45.50 H new ATOM 0 HB2 ASN A 4 16.102 -6.671 -5.859 1.00 32.15 H new ATOM 0 HB3 ASN A 4 14.659 -6.550 -6.846 1.00 32.15 H new ATOM 0 HD21 ASN A 4 16.571 -10.109 -6.377 1.00 21.32 H new ATOM 0 HD22 ASN A 4 17.043 -8.628 -5.538 1.00 21.32 H new ATOM 57 N GLY A 5 18.755 -6.226 -7.057 1.00 53.21 N ATOM 58 CA GLY A 5 20.134 -6.676 -7.042 1.00 62.43 C ATOM 59 C GLY A 5 21.048 -5.722 -6.299 1.00 72.03 C ATOM 60 O GLY A 5 20.657 -4.600 -5.979 1.00 21.42 O ATOM 0 H GLY A 5 18.510 -5.571 -6.315 1.00 53.21 H new ATOM 0 HA2 GLY A 5 20.186 -7.660 -6.577 1.00 62.43 H new ATOM 0 HA3 GLY A 5 20.487 -6.788 -8.067 1.00 62.43 H new ATOM 64 N GLY A 6 22.269 -6.169 -6.023 1.00 3.13 N ATOM 65 CA GLY A 6 23.221 -5.335 -5.313 1.00 3.31 C ATOM 66 C GLY A 6 24.658 -5.740 -5.577 1.00 73.52 C ATOM 67 O GLY A 6 24.957 -6.925 -5.727 1.00 53.44 O ATOM 0 H GLY A 6 22.616 -7.094 -6.278 1.00 3.13 H new ATOM 0 HA2 GLY A 6 23.080 -4.295 -5.609 1.00 3.31 H new ATOM 0 HA3 GLY A 6 23.022 -5.392 -4.243 1.00 3.31 H new ATOM 71 N GLU A 7 25.548 -4.755 -5.636 1.00 23.23 N ATOM 72 CA GLU A 7 26.961 -5.017 -5.887 1.00 14.04 C ATOM 73 C GLU A 7 27.751 -5.034 -4.581 1.00 41.34 C ATOM 74 O GLU A 7 27.314 -4.512 -3.555 1.00 64.41 O ATOM 75 CB GLU A 7 27.538 -3.961 -6.832 1.00 31.13 C ATOM 76 CG GLU A 7 27.501 -4.369 -8.295 1.00 53.50 C ATOM 77 CD GLU A 7 28.189 -3.364 -9.198 1.00 42.40 C ATOM 78 OE1 GLU A 7 27.816 -2.173 -9.155 1.00 11.11 O ATOM 79 OE2 GLU A 7 29.102 -3.769 -9.948 1.00 40.20 O ATOM 0 H GLU A 7 25.317 -3.769 -5.514 1.00 23.23 H new ATOM 0 HA GLU A 7 27.045 -5.998 -6.355 1.00 14.04 H new ATOM 0 HB2 GLU A 7 26.982 -3.032 -6.708 1.00 31.13 H new ATOM 0 HB3 GLU A 7 28.570 -3.755 -6.547 1.00 31.13 H new ATOM 0 HG2 GLU A 7 27.979 -5.342 -8.409 1.00 53.50 H new ATOM 0 HG3 GLU A 7 26.464 -4.485 -8.610 1.00 53.50 H new ATOM 86 N PRO A 8 28.943 -5.648 -4.620 1.00 10.42 N ATOM 87 CA PRO A 8 29.820 -5.748 -3.449 1.00 50.24 C ATOM 88 C PRO A 8 30.417 -4.401 -3.055 1.00 54.02 C ATOM 89 O PRO A 8 30.224 -3.400 -3.745 1.00 72.03 O ATOM 90 CB PRO A 8 30.921 -6.705 -3.912 1.00 32.50 C ATOM 91 CG PRO A 8 30.946 -6.566 -5.395 1.00 73.10 C ATOM 92 CD PRO A 8 29.527 -6.291 -5.809 1.00 14.11 C ATOM 0 HA PRO A 8 29.282 -6.090 -2.565 1.00 50.24 H new ATOM 0 HB2 PRO A 8 31.884 -6.442 -3.474 1.00 32.50 H new ATOM 0 HB3 PRO A 8 30.705 -7.731 -3.614 1.00 32.50 H new ATOM 0 HG2 PRO A 8 31.606 -5.754 -5.700 1.00 73.10 H new ATOM 0 HG3 PRO A 8 31.321 -7.475 -5.866 1.00 73.10 H new ATOM 0 HD2 PRO A 8 29.482 -5.639 -6.681 1.00 14.11 H new ATOM 0 HD3 PRO A 8 28.999 -7.209 -6.070 1.00 14.11 H new ATOM 100 N SER A 9 31.142 -4.384 -1.942 1.00 3.53 N ATOM 101 CA SER A 9 31.765 -3.158 -1.454 1.00 74.20 C ATOM 102 C SER A 9 32.921 -3.475 -0.510 1.00 54.40 C ATOM 103 O SER A 9 32.721 -3.680 0.686 1.00 12.23 O ATOM 104 CB SER A 9 30.731 -2.286 -0.739 1.00 21.14 C ATOM 105 OG SER A 9 29.639 -3.063 -0.279 1.00 55.13 O ATOM 0 H SER A 9 31.313 -5.204 -1.361 1.00 3.53 H new ATOM 0 HA SER A 9 32.159 -2.613 -2.312 1.00 74.20 H new ATOM 0 HB2 SER A 9 31.200 -1.777 0.103 1.00 21.14 H new ATOM 0 HB3 SER A 9 30.371 -1.513 -1.418 1.00 21.14 H new ATOM 0 HG SER A 9 28.993 -2.483 0.176 1.00 55.13 H new ATOM 111 N ASN A 10 34.131 -3.512 -1.058 1.00 73.14 N ATOM 112 CA ASN A 10 35.320 -3.804 -0.266 1.00 60.03 C ATOM 113 C ASN A 10 36.178 -2.555 -0.093 1.00 3.40 C ATOM 114 O ASN A 10 36.271 -1.723 -0.995 1.00 24.30 O ATOM 115 CB ASN A 10 36.141 -4.912 -0.930 1.00 34.14 C ATOM 116 CG ASN A 10 35.931 -6.261 -0.269 1.00 50.01 C ATOM 117 OD1 ASN A 10 36.636 -6.619 0.675 1.00 14.50 O ATOM 118 ND2 ASN A 10 34.958 -7.017 -0.764 1.00 63.33 N ATOM 0 H ASN A 10 34.314 -3.343 -2.047 1.00 73.14 H new ATOM 0 HA ASN A 10 34.997 -4.141 0.719 1.00 60.03 H new ATOM 0 HB2 ASN A 10 35.870 -4.980 -1.983 1.00 34.14 H new ATOM 0 HB3 ASN A 10 37.199 -4.651 -0.890 1.00 34.14 H new ATOM 0 HD21 ASN A 10 34.770 -7.935 -0.361 1.00 63.33 H new ATOM 0 HD22 ASN A 10 34.399 -6.680 -1.547 1.00 63.33 H new ATOM 125 N ASN A 11 36.804 -2.430 1.073 1.00 61.40 N ATOM 126 CA ASN A 11 37.655 -1.283 1.365 1.00 2.41 C ATOM 127 C ASN A 11 38.777 -1.668 2.325 1.00 42.45 C ATOM 128 O ASN A 11 38.874 -2.816 2.754 1.00 31.23 O ATOM 129 CB ASN A 11 36.825 -0.145 1.964 1.00 62.15 C ATOM 130 CG ASN A 11 37.210 1.209 1.401 1.00 50.53 C ATOM 131 OD1 ASN A 11 37.162 1.427 0.190 1.00 50.40 O ATOM 132 ND2 ASN A 11 37.595 2.128 2.280 1.00 72.44 N ATOM 0 H ASN A 11 36.738 -3.109 1.831 1.00 61.40 H new ATOM 0 HA ASN A 11 38.101 -0.946 0.429 1.00 2.41 H new ATOM 0 HB2 ASN A 11 35.768 -0.329 1.770 1.00 62.15 H new ATOM 0 HB3 ASN A 11 36.954 -0.136 3.046 1.00 62.15 H new ATOM 0 HD21 ASN A 11 37.866 3.058 1.960 1.00 72.44 H new ATOM 0 HD22 ASN A 11 37.620 1.904 3.275 1.00 72.44 H new ATOM 139 N GLY A 12 39.624 -0.697 2.657 1.00 74.43 N ATOM 140 CA GLY A 12 40.727 -0.954 3.563 1.00 24.03 C ATOM 141 C GLY A 12 42.042 -0.405 3.046 1.00 1.42 C ATOM 142 O GLY A 12 42.885 0.041 3.823 1.00 3.13 O ATOM 0 H GLY A 12 39.565 0.262 2.314 1.00 74.43 H new ATOM 0 HA2 GLY A 12 40.507 -0.509 4.533 1.00 24.03 H new ATOM 0 HA3 GLY A 12 40.822 -2.029 3.719 1.00 24.03 H new ATOM 146 N GLY A 13 42.219 -0.438 1.729 1.00 55.43 N ATOM 147 CA GLY A 13 43.443 0.062 1.131 1.00 1.25 C ATOM 148 C GLY A 13 44.448 -1.040 0.861 1.00 2.23 C ATOM 149 O GLY A 13 45.627 -0.907 1.188 1.00 11.34 O ATOM 0 H GLY A 13 41.536 -0.802 1.065 1.00 55.43 H new ATOM 0 HA2 GLY A 13 43.206 0.570 0.196 1.00 1.25 H new ATOM 0 HA3 GLY A 13 43.891 0.804 1.793 1.00 1.25 H new ATOM 153 N GLU A 14 43.981 -2.132 0.264 1.00 12.30 N ATOM 154 CA GLU A 14 44.848 -3.262 -0.047 1.00 51.00 C ATOM 155 C GLU A 14 45.296 -3.971 1.228 1.00 73.22 C ATOM 156 O GLU A 14 44.801 -5.048 1.558 1.00 25.22 O ATOM 157 CB GLU A 14 46.070 -2.793 -0.839 1.00 3.21 C ATOM 158 CG GLU A 14 46.126 -3.342 -2.255 1.00 12.14 C ATOM 159 CD GLU A 14 47.309 -2.811 -3.040 1.00 40.23 C ATOM 160 OE1 GLU A 14 47.250 -1.645 -3.484 1.00 43.21 O ATOM 161 OE2 GLU A 14 48.293 -3.560 -3.212 1.00 32.33 O ATOM 0 H GLU A 14 43.008 -2.258 -0.014 1.00 12.30 H new ATOM 0 HA GLU A 14 44.280 -3.967 -0.654 1.00 51.00 H new ATOM 0 HB2 GLU A 14 46.069 -1.704 -0.881 1.00 3.21 H new ATOM 0 HB3 GLU A 14 46.973 -3.091 -0.307 1.00 3.21 H new ATOM 0 HG2 GLU A 14 46.179 -4.430 -2.217 1.00 12.14 H new ATOM 0 HG3 GLU A 14 45.204 -3.086 -2.777 1.00 12.14 H new ATOM 168 N GLY A 15 46.236 -3.358 1.940 1.00 24.10 N ATOM 169 CA GLY A 15 46.736 -3.945 3.170 1.00 41.32 C ATOM 170 C GLY A 15 47.350 -2.914 4.096 1.00 3.01 C ATOM 171 O GLY A 15 47.784 -1.851 3.652 1.00 31.25 O ATOM 0 H GLY A 15 46.660 -2.466 1.688 1.00 24.10 H new ATOM 0 HA2 GLY A 15 45.920 -4.452 3.685 1.00 41.32 H new ATOM 0 HA3 GLY A 15 47.481 -4.703 2.930 1.00 41.32 H new ATOM 175 N ALA A 16 47.386 -3.228 5.387 1.00 0.50 N ATOM 176 CA ALA A 16 47.952 -2.321 6.378 1.00 13.41 C ATOM 177 C ALA A 16 48.881 -3.062 7.333 1.00 44.40 C ATOM 178 O ALA A 16 48.444 -3.922 8.096 1.00 70.32 O ATOM 179 CB ALA A 16 46.841 -1.626 7.152 1.00 3.13 C ATOM 0 H ALA A 16 47.030 -4.103 5.771 1.00 0.50 H new ATOM 0 HA ALA A 16 48.540 -1.568 5.852 1.00 13.41 H new ATOM 0 HB1 ALA A 16 47.278 -0.952 7.889 1.00 3.13 H new ATOM 0 HB2 ALA A 16 46.219 -1.056 6.462 1.00 3.13 H new ATOM 0 HB3 ALA A 16 46.230 -2.372 7.660 1.00 3.13 H new ATOM 185 N GLU A 17 50.166 -2.722 7.284 1.00 13.53 N ATOM 186 CA GLU A 17 51.157 -3.357 8.145 1.00 54.01 C ATOM 187 C GLU A 17 51.111 -2.770 9.553 1.00 73.22 C ATOM 188 O GLU A 17 50.612 -1.665 9.760 1.00 4.34 O ATOM 189 CB GLU A 17 52.559 -3.189 7.556 1.00 72.00 C ATOM 190 CG GLU A 17 52.935 -1.742 7.283 1.00 60.41 C ATOM 191 CD GLU A 17 53.370 -1.514 5.848 1.00 0.44 C ATOM 192 OE1 GLU A 17 54.415 -2.068 5.449 1.00 4.42 O ATOM 193 OE2 GLU A 17 52.664 -0.780 5.125 1.00 71.22 O ATOM 0 H GLU A 17 50.544 -2.011 6.658 1.00 13.53 H new ATOM 0 HA GLU A 17 50.921 -4.419 8.205 1.00 54.01 H new ATOM 0 HB2 GLU A 17 53.287 -3.621 8.243 1.00 72.00 H new ATOM 0 HB3 GLU A 17 52.623 -3.754 6.626 1.00 72.00 H new ATOM 0 HG2 GLU A 17 52.083 -1.100 7.507 1.00 60.41 H new ATOM 0 HG3 GLU A 17 53.741 -1.447 7.955 1.00 60.41 H new ATOM 200 N GLY A 18 51.634 -3.520 10.518 1.00 64.32 N ATOM 201 CA GLY A 18 51.643 -3.059 11.894 1.00 72.32 C ATOM 202 C GLY A 18 51.776 -4.198 12.886 1.00 54.42 C ATOM 203 O GLY A 18 52.842 -4.800 13.013 1.00 2.00 O ATOM 0 H GLY A 18 52.052 -4.439 10.371 1.00 64.32 H new ATOM 0 HA2 GLY A 18 52.468 -2.361 12.035 1.00 72.32 H new ATOM 0 HA3 GLY A 18 50.723 -2.511 12.096 1.00 72.32 H new ATOM 207 N THR A 19 50.690 -4.494 13.594 1.00 53.35 N ATOM 208 CA THR A 19 50.690 -5.565 14.581 1.00 31.15 C ATOM 209 C THR A 19 51.644 -5.255 15.729 1.00 2.40 C ATOM 210 O THR A 19 52.864 -5.326 15.571 1.00 34.24 O ATOM 211 CB THR A 19 51.087 -6.912 13.949 1.00 32.40 C ATOM 212 OG1 THR A 19 50.786 -6.904 12.549 1.00 45.30 O ATOM 213 CG2 THR A 19 50.355 -8.063 14.623 1.00 74.02 C ATOM 0 H THR A 19 49.799 -4.006 13.501 1.00 53.35 H new ATOM 0 HA THR A 19 49.673 -5.639 14.967 1.00 31.15 H new ATOM 0 HB THR A 19 52.159 -7.052 14.089 1.00 32.40 H new ATOM 0 HG1 THR A 19 51.043 -7.763 12.154 1.00 45.30 H new ATOM 0 HG21 THR A 19 50.652 -9.004 14.160 1.00 74.02 H new ATOM 0 HG22 THR A 19 50.609 -8.085 15.683 1.00 74.02 H new ATOM 0 HG23 THR A 19 49.280 -7.926 14.510 1.00 74.02 H new ATOM 221 N CYS A 20 51.083 -4.911 16.883 1.00 55.35 N ATOM 222 CA CYS A 20 51.885 -4.589 18.058 1.00 74.14 C ATOM 223 C CYS A 20 51.476 -5.452 19.247 1.00 2.44 C ATOM 224 O CYS A 20 50.290 -5.603 19.540 1.00 31.42 O ATOM 225 CB CYS A 20 51.738 -3.108 18.411 1.00 31.53 C ATOM 226 SG CYS A 20 52.967 -2.506 19.592 1.00 24.24 S ATOM 0 H CYS A 20 50.076 -4.848 17.030 1.00 55.35 H new ATOM 0 HA CYS A 20 52.929 -4.796 17.824 1.00 74.14 H new ATOM 0 HB2 CYS A 20 51.809 -2.519 17.497 1.00 31.53 H new ATOM 0 HB3 CYS A 20 50.742 -2.940 18.822 1.00 31.53 H new ATOM 0 HG CYS A 20 52.762 -1.244 19.826 1.00 24.24 H new ATOM 232 N LYS A 21 52.467 -6.016 19.930 1.00 74.54 N ATOM 233 CA LYS A 21 52.212 -6.865 21.088 1.00 50.21 C ATOM 234 C LYS A 21 52.432 -6.094 22.386 1.00 61.23 C ATOM 235 O LYS A 21 53.388 -5.329 22.509 1.00 61.33 O ATOM 236 CB LYS A 21 53.120 -8.096 21.053 1.00 32.33 C ATOM 237 CG LYS A 21 52.369 -9.400 20.843 1.00 40.21 C ATOM 238 CD LYS A 21 52.799 -10.090 19.559 1.00 13.22 C ATOM 239 CE LYS A 21 54.057 -10.919 19.766 1.00 32.03 C ATOM 240 NZ LYS A 21 54.001 -12.207 19.022 1.00 71.45 N ATOM 0 H LYS A 21 53.454 -5.900 19.701 1.00 74.54 H new ATOM 0 HA LYS A 21 51.172 -7.188 21.049 1.00 50.21 H new ATOM 0 HB2 LYS A 21 53.851 -7.975 20.254 1.00 32.33 H new ATOM 0 HB3 LYS A 21 53.676 -8.153 21.989 1.00 32.33 H new ATOM 0 HG2 LYS A 21 52.545 -10.063 21.690 1.00 40.21 H new ATOM 0 HG3 LYS A 21 51.298 -9.203 20.810 1.00 40.21 H new ATOM 0 HD2 LYS A 21 51.994 -10.732 19.202 1.00 13.22 H new ATOM 0 HD3 LYS A 21 52.977 -9.343 18.785 1.00 13.22 H new ATOM 0 HE2 LYS A 21 54.926 -10.348 19.439 1.00 32.03 H new ATOM 0 HE3 LYS A 21 54.189 -11.119 20.829 1.00 32.03 H new ATOM 0 HZ1 LYS A 21 54.877 -12.743 19.189 1.00 71.45 H new ATOM 0 HZ2 LYS A 21 53.187 -12.763 19.352 1.00 71.45 H new ATOM 0 HZ3 LYS A 21 53.901 -12.016 18.005 1.00 71.45 H new ATOM 254 N GLU A 22 51.542 -6.303 23.351 1.00 51.52 N ATOM 255 CA GLU A 22 51.641 -5.627 24.639 1.00 10.02 C ATOM 256 C GLU A 22 50.521 -6.073 25.575 1.00 24.41 C ATOM 257 O GLU A 22 49.422 -6.401 25.131 1.00 74.10 O ATOM 258 CB GLU A 22 51.588 -4.110 24.450 1.00 53.50 C ATOM 259 CG GLU A 22 52.691 -3.366 25.184 1.00 52.52 C ATOM 260 CD GLU A 22 52.813 -1.920 24.743 1.00 55.21 C ATOM 261 OE1 GLU A 22 51.809 -1.183 24.844 1.00 41.01 O ATOM 262 OE2 GLU A 22 53.910 -1.525 24.297 1.00 60.31 O ATOM 0 H GLU A 22 50.745 -6.934 23.265 1.00 51.52 H new ATOM 0 HA GLU A 22 52.597 -5.896 25.089 1.00 10.02 H new ATOM 0 HB2 GLU A 22 51.654 -3.882 23.386 1.00 53.50 H new ATOM 0 HB3 GLU A 22 50.622 -3.743 24.795 1.00 53.50 H new ATOM 0 HG2 GLU A 22 52.496 -3.400 26.256 1.00 52.52 H new ATOM 0 HG3 GLU A 22 53.641 -3.874 25.017 1.00 52.52 H new ATOM 269 N GLU A 23 50.811 -6.084 26.872 1.00 2.45 N ATOM 270 CA GLU A 23 49.829 -6.491 27.871 1.00 64.14 C ATOM 271 C GLU A 23 49.146 -5.275 28.489 1.00 33.34 C ATOM 272 O GLU A 23 48.673 -5.325 29.626 1.00 44.33 O ATOM 273 CB GLU A 23 50.498 -7.326 28.965 1.00 41.20 C ATOM 274 CG GLU A 23 50.745 -8.770 28.563 1.00 30.34 C ATOM 275 CD GLU A 23 51.587 -9.521 29.576 1.00 22.52 C ATOM 276 OE1 GLU A 23 52.655 -9.001 29.961 1.00 1.15 O ATOM 277 OE2 GLU A 23 51.179 -10.629 29.983 1.00 21.21 O ATOM 0 H GLU A 23 51.717 -5.816 27.256 1.00 2.45 H new ATOM 0 HA GLU A 23 49.072 -7.097 27.374 1.00 64.14 H new ATOM 0 HB2 GLU A 23 51.449 -6.864 29.232 1.00 41.20 H new ATOM 0 HB3 GLU A 23 49.873 -7.308 29.858 1.00 41.20 H new ATOM 0 HG2 GLU A 23 49.788 -9.279 28.443 1.00 30.34 H new ATOM 0 HG3 GLU A 23 51.243 -8.793 27.594 1.00 30.34 H new ATOM 284 N THR A 24 49.097 -4.183 27.734 1.00 52.45 N ATOM 285 CA THR A 24 48.473 -2.953 28.207 1.00 62.33 C ATOM 286 C THR A 24 47.986 -2.100 27.041 1.00 2.12 C ATOM 287 O THR A 24 48.676 -1.960 26.032 1.00 54.15 O ATOM 288 CB THR A 24 49.447 -2.123 29.064 1.00 63.20 C ATOM 289 OG1 THR A 24 50.358 -2.990 29.750 1.00 75.34 O ATOM 290 CG2 THR A 24 48.690 -1.274 30.074 1.00 43.33 C ATOM 0 H THR A 24 49.482 -4.125 26.791 1.00 52.45 H new ATOM 0 HA THR A 24 47.621 -3.246 28.820 1.00 62.33 H new ATOM 0 HB THR A 24 50.005 -1.461 28.402 1.00 63.20 H new ATOM 0 HG1 THR A 24 50.975 -2.454 30.291 1.00 75.34 H new ATOM 0 HG21 THR A 24 49.399 -0.697 30.668 1.00 43.33 H new ATOM 0 HG22 THR A 24 48.019 -0.595 29.548 1.00 43.33 H new ATOM 0 HG23 THR A 24 48.109 -1.921 30.731 1.00 43.33 H new ATOM 298 N ALA A 25 46.794 -1.531 27.188 1.00 2.11 N ATOM 299 CA ALA A 25 46.216 -0.689 26.148 1.00 4.31 C ATOM 300 C ALA A 25 44.996 0.064 26.667 1.00 51.25 C ATOM 301 O ALA A 25 44.185 -0.486 27.413 1.00 2.12 O ATOM 302 CB ALA A 25 45.845 -1.528 24.935 1.00 70.32 C ATOM 0 H ALA A 25 46.210 -1.638 28.017 1.00 2.11 H new ATOM 0 HA ALA A 25 46.965 0.046 25.852 1.00 4.31 H new ATOM 0 HB1 ALA A 25 45.415 -0.886 24.166 1.00 70.32 H new ATOM 0 HB2 ALA A 25 46.738 -2.015 24.543 1.00 70.32 H new ATOM 0 HB3 ALA A 25 45.116 -2.285 25.225 1.00 70.32 H new ATOM 308 N LEU A 26 44.871 1.325 26.267 1.00 33.01 N ATOM 309 CA LEU A 26 43.748 2.154 26.692 1.00 4.41 C ATOM 310 C LEU A 26 43.234 3.008 25.537 1.00 3.35 C ATOM 311 O LEU A 26 43.927 3.908 25.060 1.00 35.44 O ATOM 312 CB LEU A 26 44.165 3.052 27.859 1.00 71.41 C ATOM 313 CG LEU A 26 45.146 2.439 28.860 1.00 54.33 C ATOM 314 CD1 LEU A 26 46.580 2.746 28.457 1.00 32.52 C ATOM 315 CD2 LEU A 26 44.863 2.951 30.265 1.00 41.14 C ATOM 0 H LEU A 26 45.533 1.795 25.650 1.00 33.01 H new ATOM 0 HA LEU A 26 42.944 1.494 27.018 1.00 4.41 H new ATOM 0 HB2 LEU A 26 44.612 3.959 27.452 1.00 71.41 H new ATOM 0 HB3 LEU A 26 43.267 3.353 28.399 1.00 71.41 H new ATOM 0 HG LEU A 26 45.013 1.357 28.856 1.00 54.33 H new ATOM 0 HD11 LEU A 26 47.264 2.302 29.180 1.00 32.52 H new ATOM 0 HD12 LEU A 26 46.777 2.330 27.469 1.00 32.52 H new ATOM 0 HD13 LEU A 26 46.728 3.826 28.433 1.00 32.52 H new ATOM 0 HD21 LEU A 26 45.570 2.505 30.964 1.00 41.14 H new ATOM 0 HD22 LEU A 26 44.968 4.036 30.285 1.00 41.14 H new ATOM 0 HD23 LEU A 26 43.847 2.680 30.553 1.00 41.14 H new ATOM 327 N VAL A 27 42.014 2.722 25.094 1.00 64.12 N ATOM 328 CA VAL A 27 41.406 3.465 23.997 1.00 14.53 C ATOM 329 C VAL A 27 39.895 3.568 24.175 1.00 10.30 C ATOM 330 O VAL A 27 39.243 2.613 24.594 1.00 33.31 O ATOM 331 CB VAL A 27 41.708 2.808 22.638 1.00 40.45 C ATOM 332 CG1 VAL A 27 43.188 2.474 22.523 1.00 55.31 C ATOM 333 CG2 VAL A 27 40.855 1.563 22.447 1.00 45.13 C ATOM 0 H VAL A 27 41.427 1.981 25.478 1.00 64.12 H new ATOM 0 HA VAL A 27 41.840 4.465 24.013 1.00 14.53 H new ATOM 0 HB VAL A 27 41.458 3.516 21.848 1.00 40.45 H new ATOM 0 HG11 VAL A 27 43.382 2.010 21.556 1.00 55.31 H new ATOM 0 HG12 VAL A 27 43.775 3.388 22.612 1.00 55.31 H new ATOM 0 HG13 VAL A 27 43.468 1.784 23.319 1.00 55.31 H new ATOM 0 HG21 VAL A 27 41.082 1.111 21.481 1.00 45.13 H new ATOM 0 HG22 VAL A 27 41.071 0.849 23.241 1.00 45.13 H new ATOM 0 HG23 VAL A 27 39.800 1.836 22.482 1.00 45.13 H new ATOM 343 N ALA A 28 39.345 4.734 23.853 1.00 52.41 N ATOM 344 CA ALA A 28 37.910 4.962 23.974 1.00 22.34 C ATOM 345 C ALA A 28 37.213 4.801 22.628 1.00 71.02 C ATOM 346 O ALA A 28 37.717 5.251 21.599 1.00 53.42 O ATOM 347 CB ALA A 28 37.642 6.345 24.548 1.00 13.02 C ATOM 0 H ALA A 28 39.872 5.536 23.506 1.00 52.41 H new ATOM 0 HA ALA A 28 37.504 4.214 24.655 1.00 22.34 H new ATOM 0 HB1 ALA A 28 36.567 6.502 24.633 1.00 13.02 H new ATOM 0 HB2 ALA A 28 38.099 6.424 25.534 1.00 13.02 H new ATOM 0 HB3 ALA A 28 38.068 7.101 23.889 1.00 13.02 H new ATOM 353 N VAL A 29 36.051 4.155 22.641 1.00 10.45 N ATOM 354 CA VAL A 29 35.284 3.936 21.421 1.00 21.41 C ATOM 355 C VAL A 29 33.855 4.445 21.571 1.00 70.12 C ATOM 356 O VAL A 29 33.222 4.256 22.610 1.00 42.21 O ATOM 357 CB VAL A 29 35.249 2.443 21.042 1.00 55.22 C ATOM 358 CG1 VAL A 29 34.645 2.258 19.658 1.00 44.13 C ATOM 359 CG2 VAL A 29 36.645 1.844 21.108 1.00 31.55 C ATOM 0 H VAL A 29 35.620 3.774 23.484 1.00 10.45 H new ATOM 0 HA VAL A 29 35.783 4.493 20.628 1.00 21.41 H new ATOM 0 HB VAL A 29 34.619 1.918 21.760 1.00 55.22 H new ATOM 0 HG11 VAL A 29 34.628 1.197 19.407 1.00 44.13 H new ATOM 0 HG12 VAL A 29 33.628 2.649 19.650 1.00 44.13 H new ATOM 0 HG13 VAL A 29 35.246 2.795 18.924 1.00 44.13 H new ATOM 0 HG21 VAL A 29 36.601 0.789 20.837 1.00 31.55 H new ATOM 0 HG22 VAL A 29 37.300 2.370 20.413 1.00 31.55 H new ATOM 0 HG23 VAL A 29 37.036 1.943 22.121 1.00 31.55 H new ATOM 369 N LYS A 30 33.351 5.092 20.525 1.00 32.34 N ATOM 370 CA LYS A 30 31.995 5.628 20.538 1.00 71.21 C ATOM 371 C LYS A 30 31.187 5.093 19.359 1.00 5.14 C ATOM 372 O LYS A 30 31.547 5.304 18.201 1.00 13.30 O ATOM 373 CB LYS A 30 32.029 7.157 20.495 1.00 53.23 C ATOM 374 CG LYS A 30 30.656 7.792 20.353 1.00 2.10 C ATOM 375 CD LYS A 30 30.702 9.286 20.627 1.00 31.02 C ATOM 376 CE LYS A 30 30.602 10.092 19.341 1.00 21.01 C ATOM 377 NZ LYS A 30 30.377 11.539 19.610 1.00 43.43 N ATOM 0 H LYS A 30 33.862 5.258 19.658 1.00 32.34 H new ATOM 0 HA LYS A 30 31.513 5.307 21.461 1.00 71.21 H new ATOM 0 HB2 LYS A 30 32.499 7.527 21.406 1.00 53.23 H new ATOM 0 HB3 LYS A 30 32.655 7.475 19.661 1.00 53.23 H new ATOM 0 HG2 LYS A 30 30.276 7.617 19.347 1.00 2.10 H new ATOM 0 HG3 LYS A 30 29.960 7.316 21.044 1.00 2.10 H new ATOM 0 HD2 LYS A 30 29.884 9.560 21.294 1.00 31.02 H new ATOM 0 HD3 LYS A 30 31.630 9.534 21.142 1.00 31.02 H new ATOM 0 HE2 LYS A 30 31.518 9.968 18.763 1.00 21.01 H new ATOM 0 HE3 LYS A 30 29.785 9.704 18.732 1.00 21.01 H new ATOM 0 HZ1 LYS A 30 30.315 12.054 18.709 1.00 43.43 H new ATOM 0 HZ2 LYS A 30 29.490 11.660 20.140 1.00 43.43 H new ATOM 0 HZ3 LYS A 30 31.169 11.915 20.170 1.00 43.43 H new ATOM 391 N VAL A 31 30.094 4.401 19.663 1.00 71.24 N ATOM 392 CA VAL A 31 29.234 3.838 18.628 1.00 0.22 C ATOM 393 C VAL A 31 28.017 4.723 18.384 1.00 12.22 C ATOM 394 O VAL A 31 27.262 5.028 19.308 1.00 44.31 O ATOM 395 CB VAL A 31 28.759 2.422 19.003 1.00 74.14 C ATOM 396 CG1 VAL A 31 28.096 2.425 20.372 1.00 51.43 C ATOM 397 CG2 VAL A 31 27.810 1.881 17.943 1.00 12.54 C ATOM 0 H VAL A 31 29.783 4.217 20.617 1.00 71.24 H new ATOM 0 HA VAL A 31 29.829 3.784 17.716 1.00 0.22 H new ATOM 0 HB VAL A 31 29.629 1.766 19.049 1.00 74.14 H new ATOM 0 HG11 VAL A 31 27.767 1.416 20.619 1.00 51.43 H new ATOM 0 HG12 VAL A 31 28.810 2.768 21.121 1.00 51.43 H new ATOM 0 HG13 VAL A 31 27.235 3.094 20.358 1.00 51.43 H new ATOM 0 HG21 VAL A 31 27.484 0.879 18.224 1.00 12.54 H new ATOM 0 HG22 VAL A 31 26.942 2.536 17.863 1.00 12.54 H new ATOM 0 HG23 VAL A 31 28.323 1.840 16.982 1.00 12.54 H new ATOM 407 N VAL A 32 27.831 5.133 17.133 1.00 32.52 N ATOM 408 CA VAL A 32 26.704 5.982 16.766 1.00 32.43 C ATOM 409 C VAL A 32 25.787 5.278 15.772 1.00 51.52 C ATOM 410 O VAL A 32 26.249 4.555 14.891 1.00 72.32 O ATOM 411 CB VAL A 32 27.180 7.313 16.156 1.00 13.41 C ATOM 412 CG1 VAL A 32 28.053 8.072 17.144 1.00 34.02 C ATOM 413 CG2 VAL A 32 27.926 7.066 14.854 1.00 71.32 C ATOM 0 H VAL A 32 28.447 4.891 16.357 1.00 32.52 H new ATOM 0 HA VAL A 32 26.151 6.189 17.682 1.00 32.43 H new ATOM 0 HB VAL A 32 26.305 7.925 15.936 1.00 13.41 H new ATOM 0 HG11 VAL A 32 28.380 9.010 16.695 1.00 34.02 H new ATOM 0 HG12 VAL A 32 27.481 8.282 18.048 1.00 34.02 H new ATOM 0 HG13 VAL A 32 28.924 7.468 17.398 1.00 34.02 H new ATOM 0 HG21 VAL A 32 28.255 8.018 14.437 1.00 71.32 H new ATOM 0 HG22 VAL A 32 28.794 6.435 15.046 1.00 71.32 H new ATOM 0 HG23 VAL A 32 27.265 6.568 14.145 1.00 71.32 H new ATOM 423 N ASN A 33 24.484 5.497 15.919 1.00 2.34 N ATOM 424 CA ASN A 33 23.501 4.884 15.034 1.00 41.33 C ATOM 425 C ASN A 33 22.738 5.947 14.249 1.00 2.31 C ATOM 426 O ASN A 33 22.586 7.080 14.705 1.00 44.20 O ATOM 427 CB ASN A 33 22.522 4.028 15.839 1.00 12.23 C ATOM 428 CG ASN A 33 21.385 3.495 14.989 1.00 62.41 C ATOM 429 OD1 ASN A 33 21.598 3.030 13.869 1.00 24.30 O ATOM 430 ND2 ASN A 33 20.169 3.560 15.518 1.00 22.25 N ATOM 0 H ASN A 33 24.085 6.095 16.643 1.00 2.34 H new ATOM 0 HA ASN A 33 24.033 4.247 14.327 1.00 41.33 H new ATOM 0 HB2 ASN A 33 23.059 3.192 16.288 1.00 12.23 H new ATOM 0 HB3 ASN A 33 22.113 4.621 16.657 1.00 12.23 H new ATOM 0 HD21 ASN A 33 19.365 3.216 14.992 1.00 22.25 H new ATOM 0 HD22 ASN A 33 20.039 3.953 16.450 1.00 22.25 H new ATOM 437 N ALA A 34 22.260 5.573 13.067 1.00 33.11 N ATOM 438 CA ALA A 34 21.510 6.493 12.220 1.00 23.42 C ATOM 439 C ALA A 34 20.331 7.096 12.975 1.00 53.33 C ATOM 440 O ALA A 34 20.004 8.270 12.799 1.00 41.24 O ATOM 441 CB ALA A 34 21.028 5.780 10.965 1.00 11.32 C ATOM 0 H ALA A 34 22.379 4.639 12.674 1.00 33.11 H new ATOM 0 HA ALA A 34 22.175 7.306 11.930 1.00 23.42 H new ATOM 0 HB1 ALA A 34 20.470 6.478 10.342 1.00 11.32 H new ATOM 0 HB2 ALA A 34 21.886 5.403 10.408 1.00 11.32 H new ATOM 0 HB3 ALA A 34 20.383 4.947 11.245 1.00 11.32 H new ATOM 447 N ASP A 35 19.695 6.287 13.814 1.00 31.24 N ATOM 448 CA ASP A 35 18.551 6.742 14.596 1.00 20.44 C ATOM 449 C ASP A 35 18.977 7.781 15.628 1.00 10.41 C ATOM 450 O ASP A 35 18.174 8.608 16.060 1.00 61.43 O ATOM 451 CB ASP A 35 17.880 5.558 15.294 1.00 21.54 C ATOM 452 CG ASP A 35 16.427 5.830 15.628 1.00 34.01 C ATOM 453 OD1 ASP A 35 16.073 7.013 15.816 1.00 22.43 O ATOM 454 OD2 ASP A 35 15.643 4.860 15.702 1.00 54.51 O ATOM 0 H ASP A 35 19.952 5.312 13.971 1.00 31.24 H new ATOM 0 HA ASP A 35 17.837 7.204 13.914 1.00 20.44 H new ATOM 0 HB2 ASP A 35 17.944 4.679 14.653 1.00 21.54 H new ATOM 0 HB3 ASP A 35 18.423 5.325 16.210 1.00 21.54 H new ATOM 459 N GLY A 36 20.247 7.733 16.020 1.00 14.42 N ATOM 460 CA GLY A 36 20.757 8.675 16.999 1.00 12.51 C ATOM 461 C GLY A 36 21.336 7.987 18.219 1.00 1.21 C ATOM 462 O GLY A 36 22.315 8.457 18.799 1.00 74.00 O ATOM 0 H GLY A 36 20.931 7.059 15.677 1.00 14.42 H new ATOM 0 HA2 GLY A 36 21.525 9.295 16.536 1.00 12.51 H new ATOM 0 HA3 GLY A 36 19.953 9.342 17.309 1.00 12.51 H new ATOM 466 N ALA A 37 20.730 6.871 18.611 1.00 53.42 N ATOM 467 CA ALA A 37 21.191 6.117 19.770 1.00 45.34 C ATOM 468 C ALA A 37 22.685 5.826 19.675 1.00 4.44 C ATOM 469 O ALA A 37 23.129 5.091 18.794 1.00 40.41 O ATOM 470 CB ALA A 37 20.407 4.821 19.902 1.00 33.44 C ATOM 0 H ALA A 37 19.918 6.469 18.142 1.00 53.42 H new ATOM 0 HA ALA A 37 21.021 6.724 20.659 1.00 45.34 H new ATOM 0 HB1 ALA A 37 20.762 4.268 20.772 1.00 33.44 H new ATOM 0 HB2 ALA A 37 19.348 5.047 20.023 1.00 33.44 H new ATOM 0 HB3 ALA A 37 20.549 4.217 19.006 1.00 33.44 H new ATOM 476 N GLU A 38 23.456 6.409 20.589 1.00 32.42 N ATOM 477 CA GLU A 38 24.901 6.212 20.607 1.00 74.03 C ATOM 478 C GLU A 38 25.410 6.045 22.036 1.00 74.24 C ATOM 479 O GLU A 38 24.710 6.364 22.996 1.00 11.41 O ATOM 480 CB GLU A 38 25.606 7.393 19.937 1.00 25.21 C ATOM 481 CG GLU A 38 25.387 8.717 20.650 1.00 61.24 C ATOM 482 CD GLU A 38 25.166 9.868 19.687 1.00 31.44 C ATOM 483 OE1 GLU A 38 25.822 9.886 18.625 1.00 73.35 O ATOM 484 OE2 GLU A 38 24.338 10.750 19.997 1.00 60.43 O ATOM 0 H GLU A 38 23.104 7.021 21.326 1.00 32.42 H new ATOM 0 HA GLU A 38 25.125 5.301 20.052 1.00 74.03 H new ATOM 0 HB2 GLU A 38 26.675 7.188 19.890 1.00 25.21 H new ATOM 0 HB3 GLU A 38 25.253 7.481 18.909 1.00 25.21 H new ATOM 0 HG2 GLU A 38 24.525 8.631 21.312 1.00 61.24 H new ATOM 0 HG3 GLU A 38 26.251 8.934 21.278 1.00 61.24 H new ATOM 491 N MET A 39 26.632 5.541 22.167 1.00 44.23 N ATOM 492 CA MET A 39 27.236 5.332 23.478 1.00 72.13 C ATOM 493 C MET A 39 28.742 5.122 23.356 1.00 52.51 C ATOM 494 O MET A 39 29.207 4.374 22.496 1.00 31.44 O ATOM 495 CB MET A 39 26.596 4.127 24.171 1.00 40.41 C ATOM 496 CG MET A 39 26.720 2.835 23.381 1.00 63.23 C ATOM 497 SD MET A 39 25.724 1.500 24.071 1.00 11.12 S ATOM 498 CE MET A 39 26.996 0.315 24.500 1.00 63.42 C ATOM 0 H MET A 39 27.224 5.270 21.382 1.00 44.23 H new ATOM 0 HA MET A 39 27.059 6.224 24.078 1.00 72.13 H new ATOM 0 HB2 MET A 39 27.060 3.992 25.148 1.00 40.41 H new ATOM 0 HB3 MET A 39 25.541 4.337 24.345 1.00 40.41 H new ATOM 0 HG2 MET A 39 26.416 3.014 22.350 1.00 63.23 H new ATOM 0 HG3 MET A 39 27.765 2.528 23.357 1.00 63.23 H new ATOM 0 HE1 MET A 39 26.536 -0.570 24.940 1.00 63.42 H new ATOM 0 HE2 MET A 39 27.545 0.030 23.603 1.00 63.42 H new ATOM 0 HE3 MET A 39 27.683 0.762 25.219 1.00 63.42 H new ATOM 508 N PHE A 40 29.499 5.789 24.221 1.00 22.41 N ATOM 509 CA PHE A 40 30.953 5.676 24.209 1.00 1.21 C ATOM 510 C PHE A 40 31.470 5.163 25.550 1.00 10.10 C ATOM 511 O PHE A 40 30.849 5.378 26.591 1.00 74.10 O ATOM 512 CB PHE A 40 31.588 7.031 23.890 1.00 40.22 C ATOM 513 CG PHE A 40 31.319 8.079 24.931 1.00 5.44 C ATOM 514 CD1 PHE A 40 30.205 8.897 24.839 1.00 40.41 C ATOM 515 CD2 PHE A 40 32.182 8.247 26.003 1.00 51.22 C ATOM 516 CE1 PHE A 40 29.955 9.863 25.796 1.00 73.21 C ATOM 517 CE2 PHE A 40 31.937 9.210 26.963 1.00 14.50 C ATOM 518 CZ PHE A 40 30.822 10.020 26.859 1.00 43.12 C ATOM 0 H PHE A 40 29.130 6.413 24.939 1.00 22.41 H new ATOM 0 HA PHE A 40 31.230 4.961 23.435 1.00 1.21 H new ATOM 0 HB2 PHE A 40 32.665 6.903 23.785 1.00 40.22 H new ATOM 0 HB3 PHE A 40 31.214 7.381 22.928 1.00 40.22 H new ATOM 0 HD1 PHE A 40 29.523 8.779 24.010 1.00 40.41 H new ATOM 0 HD2 PHE A 40 33.056 7.618 26.089 1.00 51.22 H new ATOM 0 HE1 PHE A 40 29.083 10.494 25.712 1.00 73.21 H new ATOM 0 HE2 PHE A 40 32.616 9.330 27.794 1.00 14.50 H new ATOM 0 HZ PHE A 40 30.629 10.774 27.608 1.00 43.12 H new ATOM 528 N PHE A 41 32.611 4.483 25.516 1.00 2.04 N ATOM 529 CA PHE A 41 33.212 3.937 26.728 1.00 51.21 C ATOM 530 C PHE A 41 34.701 3.672 26.525 1.00 73.33 C ATOM 531 O PHE A 41 35.160 3.478 25.399 1.00 54.52 O ATOM 532 CB PHE A 41 32.503 2.644 27.136 1.00 12.33 C ATOM 533 CG PHE A 41 31.864 2.714 28.494 1.00 23.10 C ATOM 534 CD1 PHE A 41 32.577 2.359 29.628 1.00 32.31 C ATOM 535 CD2 PHE A 41 30.552 3.135 28.636 1.00 1.13 C ATOM 536 CE1 PHE A 41 31.991 2.421 30.879 1.00 43.15 C ATOM 537 CE2 PHE A 41 29.961 3.200 29.884 1.00 23.13 C ATOM 538 CZ PHE A 41 30.682 2.843 31.007 1.00 44.41 C ATOM 0 H PHE A 41 33.138 4.297 24.663 1.00 2.04 H new ATOM 0 HA PHE A 41 33.097 4.673 27.524 1.00 51.21 H new ATOM 0 HB2 PHE A 41 31.739 2.409 26.395 1.00 12.33 H new ATOM 0 HB3 PHE A 41 33.222 1.825 27.123 1.00 12.33 H new ATOM 0 HD1 PHE A 41 33.601 2.030 29.534 1.00 32.31 H new ATOM 0 HD2 PHE A 41 29.984 3.416 27.761 1.00 1.13 H new ATOM 0 HE1 PHE A 41 32.556 2.140 31.755 1.00 43.15 H new ATOM 0 HE2 PHE A 41 28.937 3.529 29.981 1.00 23.13 H new ATOM 0 HZ PHE A 41 30.223 2.894 31.983 1.00 44.41 H new ATOM 548 N ARG A 42 35.450 3.665 27.623 1.00 75.53 N ATOM 549 CA ARG A 42 36.886 3.425 27.566 1.00 65.12 C ATOM 550 C ARG A 42 37.205 1.961 27.856 1.00 44.12 C ATOM 551 O ARG A 42 36.700 1.385 28.819 1.00 31.24 O ATOM 552 CB ARG A 42 37.615 4.324 28.566 1.00 41.51 C ATOM 553 CG ARG A 42 38.905 4.918 28.024 1.00 52.54 C ATOM 554 CD ARG A 42 39.602 5.780 29.065 1.00 40.34 C ATOM 555 NE ARG A 42 39.295 7.198 28.896 1.00 44.13 N ATOM 556 CZ ARG A 42 39.876 8.164 29.598 1.00 1.44 C ATOM 557 NH1 ARG A 42 40.789 7.867 30.512 1.00 24.23 N ATOM 558 NH2 ARG A 42 39.544 9.432 29.387 1.00 32.51 N ATOM 0 H ARG A 42 35.086 3.823 28.563 1.00 75.53 H new ATOM 0 HA ARG A 42 37.228 3.661 26.558 1.00 65.12 H new ATOM 0 HB2 ARG A 42 36.950 5.134 28.865 1.00 41.51 H new ATOM 0 HB3 ARG A 42 37.839 3.747 29.463 1.00 41.51 H new ATOM 0 HG2 ARG A 42 39.572 4.116 27.709 1.00 52.54 H new ATOM 0 HG3 ARG A 42 38.688 5.518 27.140 1.00 52.54 H new ATOM 0 HD2 ARG A 42 39.299 5.460 30.062 1.00 40.34 H new ATOM 0 HD3 ARG A 42 40.680 5.632 28.996 1.00 40.34 H new ATOM 0 HE ARG A 42 38.596 7.461 28.201 1.00 44.13 H new ATOM 0 HH11 ARG A 42 41.047 6.894 30.678 1.00 24.23 H new ATOM 0 HH12 ARG A 42 41.233 8.611 31.050 1.00 24.23 H new ATOM 0 HH21 ARG A 42 38.842 9.665 28.685 1.00 32.51 H new ATOM 0 HH22 ARG A 42 39.991 10.173 29.927 1.00 32.51 H new ATOM 572 N ILE A 43 38.046 1.366 27.016 1.00 52.52 N ATOM 573 CA ILE A 43 38.432 -0.029 27.183 1.00 60.14 C ATOM 574 C ILE A 43 39.719 -0.338 26.426 1.00 43.55 C ATOM 575 O ILE A 43 40.127 0.414 25.539 1.00 31.42 O ATOM 576 CB ILE A 43 37.324 -0.982 26.697 1.00 15.14 C ATOM 577 CG1 ILE A 43 37.518 -2.374 27.301 1.00 75.42 C ATOM 578 CG2 ILE A 43 37.315 -1.054 25.178 1.00 54.33 C ATOM 579 CD1 ILE A 43 36.222 -3.044 27.703 1.00 24.51 C ATOM 0 H ILE A 43 38.473 1.829 26.213 1.00 52.52 H new ATOM 0 HA ILE A 43 38.593 -0.186 28.250 1.00 60.14 H new ATOM 0 HB ILE A 43 36.361 -0.594 27.028 1.00 15.14 H new ATOM 0 HG12 ILE A 43 38.036 -3.006 26.579 1.00 75.42 H new ATOM 0 HG13 ILE A 43 38.163 -2.295 28.176 1.00 75.42 H new ATOM 0 HG21 ILE A 43 36.526 -1.732 24.851 1.00 54.33 H new ATOM 0 HG22 ILE A 43 37.133 -0.061 24.768 1.00 54.33 H new ATOM 0 HG23 ILE A 43 38.279 -1.422 24.825 1.00 54.33 H new ATOM 0 HD11 ILE A 43 36.436 -4.027 28.123 1.00 24.51 H new ATOM 0 HD12 ILE A 43 35.713 -2.433 28.449 1.00 24.51 H new ATOM 0 HD13 ILE A 43 35.583 -3.155 26.827 1.00 24.51 H new ATOM 591 N LYS A 44 40.355 -1.449 26.779 1.00 24.14 N ATOM 592 CA LYS A 44 41.595 -1.861 26.132 1.00 5.42 C ATOM 593 C LYS A 44 41.381 -2.087 24.639 1.00 33.42 C ATOM 594 O LYS A 44 40.426 -2.750 24.233 1.00 21.35 O ATOM 595 CB LYS A 44 42.134 -3.138 26.781 1.00 72.03 C ATOM 596 CG LYS A 44 42.697 -2.922 28.174 1.00 3.45 C ATOM 597 CD LYS A 44 44.172 -3.282 28.242 1.00 51.11 C ATOM 598 CE LYS A 44 44.372 -4.743 28.612 1.00 63.50 C ATOM 599 NZ LYS A 44 45.240 -4.898 29.813 1.00 53.35 N ATOM 0 H LYS A 44 40.032 -2.082 27.511 1.00 24.14 H new ATOM 0 HA LYS A 44 42.325 -1.061 26.259 1.00 5.42 H new ATOM 0 HB2 LYS A 44 41.333 -3.875 26.833 1.00 72.03 H new ATOM 0 HB3 LYS A 44 42.913 -3.558 26.145 1.00 72.03 H new ATOM 0 HG2 LYS A 44 42.562 -1.880 28.464 1.00 3.45 H new ATOM 0 HG3 LYS A 44 42.141 -3.527 28.890 1.00 3.45 H new ATOM 0 HD2 LYS A 44 44.641 -3.082 27.279 1.00 51.11 H new ATOM 0 HD3 LYS A 44 44.669 -2.648 28.976 1.00 51.11 H new ATOM 0 HE2 LYS A 44 43.403 -5.205 28.802 1.00 63.50 H new ATOM 0 HE3 LYS A 44 44.818 -5.273 27.771 1.00 63.50 H new ATOM 0 HZ1 LYS A 44 45.137 -5.860 30.194 1.00 53.35 H new ATOM 0 HZ2 LYS A 44 46.232 -4.735 29.548 1.00 53.35 H new ATOM 0 HZ3 LYS A 44 44.957 -4.207 30.537 1.00 53.35 H new ATOM 613 N SER A 45 42.275 -1.534 23.826 1.00 22.25 N ATOM 614 CA SER A 45 42.182 -1.675 22.378 1.00 11.50 C ATOM 615 C SER A 45 42.048 -3.142 21.982 1.00 54.31 C ATOM 616 O SER A 45 41.451 -3.467 20.955 1.00 12.24 O ATOM 617 CB SER A 45 43.412 -1.063 21.705 1.00 62.31 C ATOM 618 OG SER A 45 43.037 -0.136 20.702 1.00 54.44 O ATOM 0 H SER A 45 43.072 -0.984 24.146 1.00 22.25 H new ATOM 0 HA SER A 45 41.291 -1.144 22.043 1.00 11.50 H new ATOM 0 HB2 SER A 45 44.029 -0.565 22.453 1.00 62.31 H new ATOM 0 HB3 SER A 45 44.020 -1.853 21.265 1.00 62.31 H new ATOM 0 HG SER A 45 43.717 -0.125 19.996 1.00 54.44 H new ATOM 624 N ARG A 46 42.607 -4.024 22.804 1.00 43.52 N ATOM 625 CA ARG A 46 42.552 -5.456 22.540 1.00 71.32 C ATOM 626 C ARG A 46 41.110 -5.920 22.355 1.00 51.31 C ATOM 627 O ARG A 46 40.848 -6.922 21.689 1.00 24.32 O ATOM 628 CB ARG A 46 43.206 -6.233 23.684 1.00 12.01 C ATOM 629 CG ARG A 46 44.436 -7.020 23.262 1.00 54.25 C ATOM 630 CD ARG A 46 44.119 -7.981 22.126 1.00 2.31 C ATOM 631 NE ARG A 46 45.136 -9.020 21.990 1.00 74.53 N ATOM 632 CZ ARG A 46 46.339 -8.808 21.469 1.00 70.01 C ATOM 633 NH1 ARG A 46 46.675 -7.600 21.038 1.00 14.11 N ATOM 634 NH2 ARG A 46 47.210 -9.805 21.379 1.00 73.24 N ATOM 0 H ARG A 46 43.103 -3.772 23.659 1.00 43.52 H new ATOM 0 HA ARG A 46 43.100 -5.651 21.618 1.00 71.32 H new ATOM 0 HB2 ARG A 46 43.485 -5.535 24.473 1.00 12.01 H new ATOM 0 HB3 ARG A 46 42.475 -6.920 24.110 1.00 12.01 H new ATOM 0 HG2 ARG A 46 45.221 -6.331 22.949 1.00 54.25 H new ATOM 0 HG3 ARG A 46 44.823 -7.578 24.115 1.00 54.25 H new ATOM 0 HD2 ARG A 46 43.148 -8.444 22.303 1.00 2.31 H new ATOM 0 HD3 ARG A 46 44.041 -7.425 21.192 1.00 2.31 H new ATOM 0 HE ARG A 46 44.910 -9.961 22.313 1.00 74.53 H new ATOM 0 HH11 ARG A 46 46.009 -6.831 21.106 1.00 14.11 H new ATOM 0 HH12 ARG A 46 47.600 -7.440 20.638 1.00 14.11 H new ATOM 0 HH21 ARG A 46 46.956 -10.736 21.710 1.00 73.24 H new ATOM 0 HH22 ARG A 46 48.134 -9.641 20.979 1.00 73.24 H new ATOM 648 N THR A 47 40.176 -5.183 22.949 1.00 21.23 N ATOM 649 CA THR A 47 38.761 -5.519 22.852 1.00 3.10 C ATOM 650 C THR A 47 37.888 -4.287 23.063 1.00 22.31 C ATOM 651 O THR A 47 37.872 -3.704 24.147 1.00 63.43 O ATOM 652 CB THR A 47 38.367 -6.596 23.881 1.00 44.24 C ATOM 653 OG1 THR A 47 39.526 -7.331 24.288 1.00 24.31 O ATOM 654 CG2 THR A 47 37.335 -7.549 23.298 1.00 53.31 C ATOM 0 H THR A 47 40.374 -4.349 23.502 1.00 21.23 H new ATOM 0 HA THR A 47 38.597 -5.910 21.848 1.00 3.10 H new ATOM 0 HB THR A 47 37.930 -6.098 24.747 1.00 44.24 H new ATOM 0 HG1 THR A 47 39.268 -8.013 24.943 1.00 24.31 H new ATOM 0 HG21 THR A 47 37.072 -8.301 24.042 1.00 53.31 H new ATOM 0 HG22 THR A 47 36.443 -6.990 23.016 1.00 53.31 H new ATOM 0 HG23 THR A 47 37.750 -8.040 22.418 1.00 53.31 H new ATOM 662 N ALA A 48 37.162 -3.897 22.021 1.00 43.44 N ATOM 663 CA ALA A 48 36.284 -2.735 22.093 1.00 22.43 C ATOM 664 C ALA A 48 35.165 -2.828 21.061 1.00 4.34 C ATOM 665 O ALA A 48 33.985 -2.872 21.412 1.00 4.31 O ATOM 666 CB ALA A 48 37.084 -1.456 21.895 1.00 74.10 C ATOM 0 H ALA A 48 37.164 -4.369 21.117 1.00 43.44 H new ATOM 0 HA ALA A 48 35.828 -2.715 23.083 1.00 22.43 H new ATOM 0 HB1 ALA A 48 36.416 -0.597 21.951 1.00 74.10 H new ATOM 0 HB2 ALA A 48 37.843 -1.377 22.674 1.00 74.10 H new ATOM 0 HB3 ALA A 48 37.567 -1.477 20.918 1.00 74.10 H new ATOM 672 N LEU A 49 35.542 -2.856 19.788 1.00 44.01 N ATOM 673 CA LEU A 49 34.570 -2.942 18.704 1.00 61.42 C ATOM 674 C LEU A 49 33.833 -4.278 18.738 1.00 4.42 C ATOM 675 O LEU A 49 32.672 -4.369 18.341 1.00 53.30 O ATOM 676 CB LEU A 49 35.266 -2.765 17.353 1.00 32.40 C ATOM 677 CG LEU A 49 34.704 -1.669 16.447 1.00 33.30 C ATOM 678 CD1 LEU A 49 33.190 -1.780 16.352 1.00 51.32 C ATOM 679 CD2 LEU A 49 35.109 -0.295 16.959 1.00 51.34 C ATOM 0 H LEU A 49 36.514 -2.820 19.481 1.00 44.01 H new ATOM 0 HA LEU A 49 33.841 -2.142 18.838 1.00 61.42 H new ATOM 0 HB2 LEU A 49 36.320 -2.554 17.535 1.00 32.40 H new ATOM 0 HB3 LEU A 49 35.219 -3.712 16.816 1.00 32.40 H new ATOM 0 HG LEU A 49 35.121 -1.800 15.448 1.00 33.30 H new ATOM 0 HD11 LEU A 49 32.807 -0.992 15.703 1.00 51.32 H new ATOM 0 HD12 LEU A 49 32.922 -2.752 15.939 1.00 51.32 H new ATOM 0 HD13 LEU A 49 32.754 -1.675 17.346 1.00 51.32 H new ATOM 0 HD21 LEU A 49 34.700 0.473 16.302 1.00 51.34 H new ATOM 0 HD22 LEU A 49 34.721 -0.154 17.968 1.00 51.34 H new ATOM 0 HD23 LEU A 49 36.196 -0.218 16.974 1.00 51.34 H new ATOM 691 N LYS A 50 34.516 -5.312 19.218 1.00 41.24 N ATOM 692 CA LYS A 50 33.927 -6.642 19.308 1.00 32.41 C ATOM 693 C LYS A 50 32.750 -6.651 20.278 1.00 31.44 C ATOM 694 O LYS A 50 31.658 -7.110 19.942 1.00 53.42 O ATOM 695 CB LYS A 50 34.979 -7.659 19.757 1.00 70.24 C ATOM 696 CG LYS A 50 36.214 -7.686 18.873 1.00 60.51 C ATOM 697 CD LYS A 50 35.947 -8.409 17.563 1.00 32.23 C ATOM 698 CE LYS A 50 36.237 -9.898 17.679 1.00 51.20 C ATOM 699 NZ LYS A 50 34.994 -10.690 17.893 1.00 23.11 N ATOM 0 H LYS A 50 35.478 -5.254 19.551 1.00 41.24 H new ATOM 0 HA LYS A 50 33.562 -6.918 18.319 1.00 32.41 H new ATOM 0 HB2 LYS A 50 35.279 -7.431 20.780 1.00 70.24 H new ATOM 0 HB3 LYS A 50 34.530 -8.652 19.770 1.00 70.24 H new ATOM 0 HG2 LYS A 50 36.537 -6.666 18.667 1.00 60.51 H new ATOM 0 HG3 LYS A 50 37.030 -8.179 19.402 1.00 60.51 H new ATOM 0 HD2 LYS A 50 34.908 -8.261 17.270 1.00 32.23 H new ATOM 0 HD3 LYS A 50 36.565 -7.977 16.775 1.00 32.23 H new ATOM 0 HE2 LYS A 50 36.736 -10.243 16.773 1.00 51.20 H new ATOM 0 HE3 LYS A 50 36.925 -10.071 18.507 1.00 51.20 H new ATOM 0 HZ1 LYS A 50 35.143 -11.367 18.669 1.00 23.11 H new ATOM 0 HZ2 LYS A 50 34.212 -10.049 18.137 1.00 23.11 H new ATOM 0 HZ3 LYS A 50 34.758 -11.208 17.022 1.00 23.11 H new ATOM 713 N LYS A 51 32.979 -6.141 21.484 1.00 73.23 N ATOM 714 CA LYS A 51 31.937 -6.087 22.503 1.00 62.53 C ATOM 715 C LYS A 51 30.894 -5.029 22.159 1.00 73.42 C ATOM 716 O LYS A 51 29.726 -5.149 22.533 1.00 24.24 O ATOM 717 CB LYS A 51 32.550 -5.788 23.873 1.00 62.24 C ATOM 718 CG LYS A 51 32.641 -7.005 24.777 1.00 10.12 C ATOM 719 CD LYS A 51 33.769 -6.867 25.786 1.00 51.20 C ATOM 720 CE LYS A 51 33.248 -6.911 27.214 1.00 31.43 C ATOM 721 NZ LYS A 51 33.237 -8.298 27.758 1.00 51.23 N ATOM 0 H LYS A 51 33.877 -5.759 21.779 1.00 73.23 H new ATOM 0 HA LYS A 51 31.445 -7.059 22.536 1.00 62.53 H new ATOM 0 HB2 LYS A 51 33.549 -5.375 23.732 1.00 62.24 H new ATOM 0 HB3 LYS A 51 31.955 -5.021 24.369 1.00 62.24 H new ATOM 0 HG2 LYS A 51 31.696 -7.140 25.303 1.00 10.12 H new ATOM 0 HG3 LYS A 51 32.800 -7.898 24.172 1.00 10.12 H new ATOM 0 HD2 LYS A 51 34.492 -7.669 25.637 1.00 51.20 H new ATOM 0 HD3 LYS A 51 34.295 -5.927 25.618 1.00 51.20 H new ATOM 0 HE2 LYS A 51 33.869 -6.278 27.847 1.00 31.43 H new ATOM 0 HE3 LYS A 51 32.239 -6.501 27.245 1.00 31.43 H new ATOM 0 HZ1 LYS A 51 32.875 -8.286 28.733 1.00 51.23 H new ATOM 0 HZ2 LYS A 51 32.624 -8.897 27.169 1.00 51.23 H new ATOM 0 HZ3 LYS A 51 34.204 -8.681 27.752 1.00 51.23 H new ATOM 735 N LEU A 52 31.321 -3.995 21.443 1.00 15.22 N ATOM 736 CA LEU A 52 30.422 -2.916 21.047 1.00 2.21 C ATOM 737 C LEU A 52 29.361 -3.420 20.074 1.00 63.00 C ATOM 738 O LEU A 52 28.164 -3.231 20.293 1.00 24.30 O ATOM 739 CB LEU A 52 31.215 -1.774 20.408 1.00 21.24 C ATOM 740 CG LEU A 52 31.383 -0.515 21.260 1.00 64.40 C ATOM 741 CD1 LEU A 52 32.246 -0.807 22.478 1.00 14.44 C ATOM 742 CD2 LEU A 52 31.988 0.611 20.434 1.00 75.33 C ATOM 0 H LEU A 52 32.283 -3.881 21.125 1.00 15.22 H new ATOM 0 HA LEU A 52 29.921 -2.547 21.942 1.00 2.21 H new ATOM 0 HB2 LEU A 52 32.205 -2.147 20.148 1.00 21.24 H new ATOM 0 HB3 LEU A 52 30.724 -1.495 19.476 1.00 21.24 H new ATOM 0 HG LEU A 52 30.399 -0.198 21.604 1.00 64.40 H new ATOM 0 HD11 LEU A 52 32.355 0.100 23.073 1.00 14.44 H new ATOM 0 HD12 LEU A 52 31.773 -1.582 23.081 1.00 14.44 H new ATOM 0 HD13 LEU A 52 33.229 -1.149 22.154 1.00 14.44 H new ATOM 0 HD21 LEU A 52 32.100 1.499 21.056 1.00 75.33 H new ATOM 0 HD22 LEU A 52 32.965 0.304 20.060 1.00 75.33 H new ATOM 0 HD23 LEU A 52 31.333 0.838 19.593 1.00 75.33 H new ATOM 754 N ILE A 53 29.808 -4.063 19.001 1.00 63.23 N ATOM 755 CA ILE A 53 28.897 -4.597 17.996 1.00 21.53 C ATOM 756 C ILE A 53 28.152 -5.819 18.524 1.00 1.21 C ATOM 757 O ILE A 53 27.001 -6.062 18.161 1.00 41.44 O ATOM 758 CB ILE A 53 29.645 -4.984 16.707 1.00 71.05 C ATOM 759 CG1 ILE A 53 28.663 -5.523 15.664 1.00 22.10 C ATOM 760 CG2 ILE A 53 30.724 -6.013 17.008 1.00 32.41 C ATOM 761 CD1 ILE A 53 29.208 -5.501 14.253 1.00 71.20 C ATOM 0 H ILE A 53 30.795 -4.227 18.805 1.00 63.23 H new ATOM 0 HA ILE A 53 28.181 -3.808 17.768 1.00 21.53 H new ATOM 0 HB ILE A 53 30.124 -4.093 16.302 1.00 71.05 H new ATOM 0 HG12 ILE A 53 28.394 -6.546 15.925 1.00 22.10 H new ATOM 0 HG13 ILE A 53 27.747 -4.933 15.700 1.00 22.10 H new ATOM 0 HG21 ILE A 53 31.243 -6.276 16.086 1.00 32.41 H new ATOM 0 HG22 ILE A 53 31.436 -5.596 17.720 1.00 32.41 H new ATOM 0 HG23 ILE A 53 30.267 -6.906 17.434 1.00 32.41 H new ATOM 0 HD11 ILE A 53 28.459 -5.897 13.567 1.00 71.20 H new ATOM 0 HD12 ILE A 53 29.451 -4.476 13.973 1.00 71.20 H new ATOM 0 HD13 ILE A 53 30.108 -6.114 14.201 1.00 71.20 H new ATOM 773 N ASP A 54 28.815 -6.583 19.384 1.00 24.34 N ATOM 774 CA ASP A 54 28.215 -7.779 19.966 1.00 43.45 C ATOM 775 C ASP A 54 27.127 -7.408 20.968 1.00 53.21 C ATOM 776 O ASP A 54 26.069 -8.037 21.014 1.00 0.01 O ATOM 777 CB ASP A 54 29.285 -8.632 20.648 1.00 22.03 C ATOM 778 CG ASP A 54 28.718 -9.907 21.240 1.00 30.23 C ATOM 779 OD1 ASP A 54 28.267 -10.773 20.462 1.00 41.12 O ATOM 780 OD2 ASP A 54 28.724 -10.039 22.482 1.00 21.14 O ATOM 0 H ASP A 54 29.769 -6.396 19.694 1.00 24.34 H new ATOM 0 HA ASP A 54 27.761 -8.356 19.161 1.00 43.45 H new ATOM 0 HB2 ASP A 54 30.060 -8.884 19.924 1.00 22.03 H new ATOM 0 HB3 ASP A 54 29.762 -8.050 21.436 1.00 22.03 H new ATOM 785 N THR A 55 27.393 -6.382 21.771 1.00 60.12 N ATOM 786 CA THR A 55 26.438 -5.929 22.774 1.00 51.31 C ATOM 787 C THR A 55 25.278 -5.178 22.129 1.00 5.24 C ATOM 788 O THR A 55 24.129 -5.315 22.548 1.00 55.44 O ATOM 789 CB THR A 55 27.110 -5.016 23.817 1.00 54.42 C ATOM 790 OG1 THR A 55 28.141 -5.733 24.504 1.00 43.42 O ATOM 791 CG2 THR A 55 26.090 -4.499 24.820 1.00 12.43 C ATOM 0 H THR A 55 28.262 -5.849 21.746 1.00 60.12 H new ATOM 0 HA THR A 55 26.057 -6.820 23.274 1.00 51.31 H new ATOM 0 HB THR A 55 27.547 -4.165 23.295 1.00 54.42 H new ATOM 0 HG1 THR A 55 28.978 -5.667 23.998 1.00 43.42 H new ATOM 0 HG21 THR A 55 26.588 -3.857 25.547 1.00 12.43 H new ATOM 0 HG22 THR A 55 25.322 -3.929 24.297 1.00 12.43 H new ATOM 0 HG23 THR A 55 25.628 -5.341 25.336 1.00 12.43 H new ATOM 799 N TYR A 56 25.587 -4.385 21.109 1.00 24.31 N ATOM 800 CA TYR A 56 24.570 -3.611 20.408 1.00 44.04 C ATOM 801 C TYR A 56 23.637 -4.525 19.619 1.00 3.12 C ATOM 802 O TYR A 56 22.419 -4.341 19.625 1.00 24.40 O ATOM 803 CB TYR A 56 25.228 -2.600 19.466 1.00 30.53 C ATOM 804 CG TYR A 56 24.367 -1.391 19.179 1.00 21.12 C ATOM 805 CD1 TYR A 56 23.130 -1.526 18.562 1.00 55.13 C ATOM 806 CD2 TYR A 56 24.791 -0.114 19.524 1.00 3.12 C ATOM 807 CE1 TYR A 56 22.340 -0.424 18.297 1.00 53.22 C ATOM 808 CE2 TYR A 56 24.008 0.994 19.264 1.00 35.44 C ATOM 809 CZ TYR A 56 22.783 0.834 18.650 1.00 32.44 C ATOM 810 OH TYR A 56 22.000 1.934 18.389 1.00 52.43 O ATOM 0 H TYR A 56 26.534 -4.261 20.749 1.00 24.31 H new ATOM 0 HA TYR A 56 23.981 -3.075 21.152 1.00 44.04 H new ATOM 0 HB2 TYR A 56 26.170 -2.269 19.903 1.00 30.53 H new ATOM 0 HB3 TYR A 56 25.469 -3.096 18.526 1.00 30.53 H new ATOM 0 HD1 TYR A 56 22.780 -2.509 18.285 1.00 55.13 H new ATOM 0 HD2 TYR A 56 25.750 0.015 20.004 1.00 3.12 H new ATOM 0 HE1 TYR A 56 21.381 -0.547 17.816 1.00 53.22 H new ATOM 0 HE2 TYR A 56 24.353 1.980 19.540 1.00 35.44 H new ATOM 0 HH TYR A 56 22.457 2.743 18.701 1.00 52.43 H new ATOM 820 N CYS A 57 24.218 -5.510 18.942 1.00 15.35 N ATOM 821 CA CYS A 57 23.439 -6.454 18.148 1.00 3.22 C ATOM 822 C CYS A 57 22.620 -7.374 19.047 1.00 74.12 C ATOM 823 O CYS A 57 21.431 -7.592 18.812 1.00 71.35 O ATOM 824 CB CYS A 57 24.363 -7.283 17.255 1.00 73.32 C ATOM 825 SG CYS A 57 24.996 -6.390 15.816 1.00 4.54 S ATOM 0 H CYS A 57 25.224 -5.675 18.927 1.00 15.35 H new ATOM 0 HA CYS A 57 22.753 -5.885 17.520 1.00 3.22 H new ATOM 0 HB2 CYS A 57 25.206 -7.635 17.850 1.00 73.32 H new ATOM 0 HB3 CYS A 57 23.823 -8.166 16.913 1.00 73.32 H new ATOM 0 HG CYS A 57 24.305 -6.716 14.764 1.00 4.54 H new ATOM 831 N LYS A 58 23.263 -7.913 20.077 1.00 71.22 N ATOM 832 CA LYS A 58 22.595 -8.811 21.012 1.00 50.04 C ATOM 833 C LYS A 58 21.482 -8.086 21.762 1.00 43.23 C ATOM 834 O LYS A 58 20.395 -8.630 21.959 1.00 5.42 O ATOM 835 CB LYS A 58 23.604 -9.387 22.007 1.00 5.23 C ATOM 836 CG LYS A 58 24.441 -10.520 21.439 1.00 73.22 C ATOM 837 CD LYS A 58 24.303 -11.786 22.269 1.00 54.45 C ATOM 838 CE LYS A 58 25.440 -11.923 23.269 1.00 13.23 C ATOM 839 NZ LYS A 58 25.152 -12.962 24.296 1.00 3.05 N ATOM 0 H LYS A 58 24.247 -7.744 20.286 1.00 71.22 H new ATOM 0 HA LYS A 58 22.152 -9.626 20.440 1.00 50.04 H new ATOM 0 HB2 LYS A 58 24.267 -8.589 22.342 1.00 5.23 H new ATOM 0 HB3 LYS A 58 23.069 -9.747 22.886 1.00 5.23 H new ATOM 0 HG2 LYS A 58 24.134 -10.721 20.413 1.00 73.22 H new ATOM 0 HG3 LYS A 58 25.488 -10.218 21.405 1.00 73.22 H new ATOM 0 HD2 LYS A 58 23.351 -11.773 22.799 1.00 54.45 H new ATOM 0 HD3 LYS A 58 24.290 -12.654 21.610 1.00 54.45 H new ATOM 0 HE2 LYS A 58 26.359 -12.178 22.741 1.00 13.23 H new ATOM 0 HE3 LYS A 58 25.610 -10.965 23.760 1.00 13.23 H new ATOM 0 HZ1 LYS A 58 25.951 -13.025 24.959 1.00 3.05 H new ATOM 0 HZ2 LYS A 58 24.289 -12.706 24.817 1.00 3.05 H new ATOM 0 HZ3 LYS A 58 25.015 -13.882 23.830 1.00 3.05 H new ATOM 853 N LYS A 59 21.760 -6.854 22.177 1.00 73.45 N ATOM 854 CA LYS A 59 20.782 -6.053 22.902 1.00 11.55 C ATOM 855 C LYS A 59 19.588 -5.715 22.015 1.00 63.02 C ATOM 856 O LYS A 59 18.438 -5.852 22.429 1.00 34.40 O ATOM 857 CB LYS A 59 21.429 -4.765 23.417 1.00 51.52 C ATOM 858 CG LYS A 59 20.522 -3.947 24.321 1.00 63.51 C ATOM 859 CD LYS A 59 20.413 -2.508 23.847 1.00 0.12 C ATOM 860 CE LYS A 59 19.938 -1.589 24.962 1.00 4.33 C ATOM 861 NZ LYS A 59 20.887 -0.465 25.196 1.00 52.41 N ATOM 0 H LYS A 59 22.655 -6.389 22.023 1.00 73.45 H new ATOM 0 HA LYS A 59 20.427 -6.639 23.750 1.00 11.55 H new ATOM 0 HB2 LYS A 59 22.338 -5.018 23.962 1.00 51.52 H new ATOM 0 HB3 LYS A 59 21.727 -4.153 22.566 1.00 51.52 H new ATOM 0 HG2 LYS A 59 19.530 -4.398 24.347 1.00 63.51 H new ATOM 0 HG3 LYS A 59 20.909 -3.967 25.340 1.00 63.51 H new ATOM 0 HD2 LYS A 59 21.383 -2.169 23.483 1.00 0.12 H new ATOM 0 HD3 LYS A 59 19.720 -2.452 23.007 1.00 0.12 H new ATOM 0 HE2 LYS A 59 18.956 -1.189 24.709 1.00 4.33 H new ATOM 0 HE3 LYS A 59 19.821 -2.163 25.881 1.00 4.33 H new ATOM 0 HZ1 LYS A 59 20.528 0.139 25.963 1.00 52.41 H new ATOM 0 HZ2 LYS A 59 21.817 -0.846 25.462 1.00 52.41 H new ATOM 0 HZ3 LYS A 59 20.979 0.098 24.327 1.00 52.41 H new ATOM 875 N GLN A 60 19.871 -5.275 20.793 1.00 10.30 N ATOM 876 CA GLN A 60 18.820 -4.919 19.848 1.00 55.24 C ATOM 877 C GLN A 60 17.985 -6.140 19.476 1.00 21.23 C ATOM 878 O GLN A 60 16.863 -6.013 18.988 1.00 42.23 O ATOM 879 CB GLN A 60 19.426 -4.299 18.588 1.00 50.43 C ATOM 880 CG GLN A 60 18.389 -3.770 17.610 1.00 12.31 C ATOM 881 CD GLN A 60 19.008 -2.985 16.470 1.00 12.35 C ATOM 882 OE1 GLN A 60 20.123 -3.274 16.036 1.00 71.13 O ATOM 883 NE2 GLN A 60 18.286 -1.984 15.980 1.00 73.35 N ATOM 0 H GLN A 60 20.819 -5.157 20.435 1.00 10.30 H new ATOM 0 HA GLN A 60 18.169 -4.188 20.327 1.00 55.24 H new ATOM 0 HB2 GLN A 60 20.089 -3.484 18.877 1.00 50.43 H new ATOM 0 HB3 GLN A 60 20.040 -5.046 18.085 1.00 50.43 H new ATOM 0 HG2 GLN A 60 17.819 -4.606 17.203 1.00 12.31 H new ATOM 0 HG3 GLN A 60 17.684 -3.133 18.144 1.00 12.31 H new ATOM 0 HE21 GLN A 60 17.366 -1.780 16.370 1.00 73.35 H new ATOM 0 HE22 GLN A 60 18.651 -1.419 15.213 1.00 73.35 H new ATOM 892 N GLY A 61 18.541 -7.325 19.711 1.00 4.24 N ATOM 893 CA GLY A 61 17.835 -8.552 19.395 1.00 34.22 C ATOM 894 C GLY A 61 18.010 -8.966 17.948 1.00 44.15 C ATOM 895 O GLY A 61 17.159 -9.655 17.384 1.00 1.33 O ATOM 0 H GLY A 61 19.468 -7.456 20.115 1.00 4.24 H new ATOM 0 HA2 GLY A 61 18.193 -9.351 20.044 1.00 34.22 H new ATOM 0 HA3 GLY A 61 16.774 -8.421 19.606 1.00 34.22 H new ATOM 899 N ILE A 62 19.116 -8.544 17.343 1.00 21.14 N ATOM 900 CA ILE A 62 19.400 -8.875 15.952 1.00 13.25 C ATOM 901 C ILE A 62 20.804 -9.448 15.799 1.00 24.11 C ATOM 902 O ILE A 62 21.737 -9.024 16.482 1.00 50.15 O ATOM 903 CB ILE A 62 19.258 -7.642 15.040 1.00 2.15 C ATOM 904 CG1 ILE A 62 18.057 -6.797 15.471 1.00 71.54 C ATOM 905 CG2 ILE A 62 19.118 -8.071 13.588 1.00 70.04 C ATOM 906 CD1 ILE A 62 16.746 -7.551 15.438 1.00 73.15 C ATOM 0 H ILE A 62 19.830 -7.972 17.795 1.00 21.14 H new ATOM 0 HA ILE A 62 18.669 -9.626 15.651 1.00 13.25 H new ATOM 0 HB ILE A 62 20.158 -7.034 15.133 1.00 2.15 H new ATOM 0 HG12 ILE A 62 18.228 -6.425 16.481 1.00 71.54 H new ATOM 0 HG13 ILE A 62 17.983 -5.926 14.819 1.00 71.54 H new ATOM 0 HG21 ILE A 62 19.019 -7.189 12.956 1.00 70.04 H new ATOM 0 HG22 ILE A 62 20.002 -8.634 13.288 1.00 70.04 H new ATOM 0 HG23 ILE A 62 18.233 -8.698 13.478 1.00 70.04 H new ATOM 0 HD11 ILE A 62 15.939 -6.891 15.755 1.00 73.15 H new ATOM 0 HD12 ILE A 62 16.552 -7.900 14.424 1.00 73.15 H new ATOM 0 HD13 ILE A 62 16.801 -8.406 16.111 1.00 73.15 H new ATOM 918 N SER A 63 20.948 -10.414 14.897 1.00 4.32 N ATOM 919 CA SER A 63 22.239 -11.047 14.655 1.00 63.11 C ATOM 920 C SER A 63 23.282 -10.014 14.239 1.00 11.22 C ATOM 921 O SER A 63 22.959 -8.849 14.005 1.00 34.23 O ATOM 922 CB SER A 63 22.109 -12.121 13.573 1.00 42.12 C ATOM 923 OG SER A 63 22.285 -13.417 14.117 1.00 25.31 O ATOM 0 H SER A 63 20.187 -10.775 14.322 1.00 4.32 H new ATOM 0 HA SER A 63 22.566 -11.514 15.584 1.00 63.11 H new ATOM 0 HB2 SER A 63 21.128 -12.051 13.103 1.00 42.12 H new ATOM 0 HB3 SER A 63 22.850 -11.947 12.793 1.00 42.12 H new ATOM 0 HG SER A 63 22.195 -14.085 13.406 1.00 25.31 H new ATOM 929 N ARG A 64 24.534 -10.449 14.150 1.00 64.33 N ATOM 930 CA ARG A 64 25.626 -9.563 13.764 1.00 54.13 C ATOM 931 C ARG A 64 25.792 -9.534 12.247 1.00 23.22 C ATOM 932 O ARG A 64 26.891 -9.729 11.730 1.00 23.40 O ATOM 933 CB ARG A 64 26.932 -10.010 14.423 1.00 73.33 C ATOM 934 CG ARG A 64 27.986 -8.918 14.488 1.00 44.30 C ATOM 935 CD ARG A 64 29.050 -9.231 15.529 1.00 34.20 C ATOM 936 NE ARG A 64 30.375 -9.375 14.932 1.00 74.20 N ATOM 937 CZ ARG A 64 30.797 -10.486 14.339 1.00 75.41 C ATOM 938 NH1 ARG A 64 30.001 -11.545 14.264 1.00 44.33 N ATOM 939 NH2 ARG A 64 32.016 -10.540 13.819 1.00 62.30 N ATOM 0 H ARG A 64 24.818 -11.410 14.340 1.00 64.33 H new ATOM 0 HA ARG A 64 25.382 -8.557 14.105 1.00 54.13 H new ATOM 0 HB2 ARG A 64 26.719 -10.358 15.434 1.00 73.33 H new ATOM 0 HB3 ARG A 64 27.335 -10.860 13.872 1.00 73.33 H new ATOM 0 HG2 ARG A 64 28.454 -8.804 13.510 1.00 44.30 H new ATOM 0 HG3 ARG A 64 27.511 -7.966 14.726 1.00 44.30 H new ATOM 0 HD2 ARG A 64 29.073 -8.436 16.274 1.00 34.20 H new ATOM 0 HD3 ARG A 64 28.786 -10.150 16.052 1.00 34.20 H new ATOM 0 HE ARG A 64 31.011 -8.579 14.973 1.00 74.20 H new ATOM 0 HH11 ARG A 64 29.063 -11.507 14.662 1.00 44.33 H new ATOM 0 HH12 ARG A 64 30.327 -12.397 13.808 1.00 44.33 H new ATOM 0 HH21 ARG A 64 32.630 -9.728 13.874 1.00 62.30 H new ATOM 0 HH22 ARG A 64 32.339 -11.394 13.364 1.00 62.30 H new ATOM 953 N ASN A 65 24.693 -9.290 11.541 1.00 43.02 N ATOM 954 CA ASN A 65 24.717 -9.237 10.084 1.00 44.14 C ATOM 955 C ASN A 65 23.608 -8.334 9.554 1.00 53.14 C ATOM 956 O ASN A 65 22.896 -8.693 8.616 1.00 50.03 O ATOM 957 CB ASN A 65 24.569 -10.643 9.499 1.00 41.13 C ATOM 958 CG ASN A 65 24.790 -10.671 7.999 1.00 73.44 C ATOM 959 OD1 ASN A 65 25.220 -9.683 7.404 1.00 11.34 O ATOM 960 ND2 ASN A 65 24.495 -11.808 7.379 1.00 71.31 N ATOM 0 H ASN A 65 23.775 -9.126 11.954 1.00 43.02 H new ATOM 0 HA ASN A 65 25.677 -8.822 9.776 1.00 44.14 H new ATOM 0 HB2 ASN A 65 25.283 -11.311 9.981 1.00 41.13 H new ATOM 0 HB3 ASN A 65 23.573 -11.024 9.724 1.00 41.13 H new ATOM 0 HD21 ASN A 65 24.623 -11.887 6.370 1.00 71.31 H new ATOM 0 HD22 ASN A 65 24.141 -12.602 7.912 1.00 71.31 H new ATOM 967 N SER A 66 23.467 -7.160 10.161 1.00 50.12 N ATOM 968 CA SER A 66 22.442 -6.206 9.753 1.00 61.24 C ATOM 969 C SER A 66 22.849 -4.782 10.119 1.00 73.02 C ATOM 970 O SER A 66 22.005 -3.892 10.230 1.00 61.25 O ATOM 971 CB SER A 66 21.104 -6.551 10.409 1.00 71.41 C ATOM 972 OG SER A 66 21.098 -6.186 11.778 1.00 51.21 O ATOM 0 H SER A 66 24.050 -6.846 10.937 1.00 50.12 H new ATOM 0 HA SER A 66 22.334 -6.267 8.670 1.00 61.24 H new ATOM 0 HB2 SER A 66 20.297 -6.036 9.889 1.00 71.41 H new ATOM 0 HB3 SER A 66 20.914 -7.620 10.314 1.00 71.41 H new ATOM 0 HG SER A 66 20.293 -5.663 11.974 1.00 51.21 H new ATOM 978 N VAL A 67 24.148 -4.574 10.306 1.00 42.22 N ATOM 979 CA VAL A 67 24.669 -3.258 10.659 1.00 74.35 C ATOM 980 C VAL A 67 26.129 -3.116 10.244 1.00 53.34 C ATOM 981 O VAL A 67 26.990 -3.868 10.699 1.00 43.03 O ATOM 982 CB VAL A 67 24.548 -2.994 12.171 1.00 21.22 C ATOM 983 CG1 VAL A 67 23.128 -2.585 12.530 1.00 11.14 C ATOM 984 CG2 VAL A 67 24.974 -4.222 12.962 1.00 70.14 C ATOM 0 H VAL A 67 24.859 -5.300 10.219 1.00 42.22 H new ATOM 0 HA VAL A 67 24.069 -2.525 10.121 1.00 74.35 H new ATOM 0 HB VAL A 67 25.214 -2.172 12.433 1.00 21.22 H new ATOM 0 HG11 VAL A 67 23.062 -2.403 13.603 1.00 11.14 H new ATOM 0 HG12 VAL A 67 22.864 -1.675 11.990 1.00 11.14 H new ATOM 0 HG13 VAL A 67 22.439 -3.383 12.255 1.00 11.14 H new ATOM 0 HG21 VAL A 67 24.882 -4.018 14.029 1.00 70.14 H new ATOM 0 HG22 VAL A 67 24.335 -5.065 12.698 1.00 70.14 H new ATOM 0 HG23 VAL A 67 26.010 -4.465 12.727 1.00 70.14 H new ATOM 994 N ARG A 68 26.400 -2.145 9.377 1.00 34.11 N ATOM 995 CA ARG A 68 27.756 -1.904 8.900 1.00 51.23 C ATOM 996 C ARG A 68 28.428 -0.799 9.709 1.00 44.42 C ATOM 997 O ARG A 68 28.077 0.375 9.588 1.00 43.32 O ATOM 998 CB ARG A 68 27.738 -1.526 7.417 1.00 20.53 C ATOM 999 CG ARG A 68 27.639 -2.723 6.485 1.00 23.24 C ATOM 1000 CD ARG A 68 26.344 -2.703 5.688 1.00 24.35 C ATOM 1001 NE ARG A 68 25.920 -4.046 5.300 1.00 12.35 N ATOM 1002 CZ ARG A 68 25.419 -4.933 6.153 1.00 61.23 C ATOM 1003 NH1 ARG A 68 25.281 -4.622 7.434 1.00 14.20 N ATOM 1004 NH2 ARG A 68 25.055 -6.135 5.724 1.00 42.15 N ATOM 0 H ARG A 68 25.698 -1.513 8.991 1.00 34.11 H new ATOM 0 HA ARG A 68 28.328 -2.823 9.027 1.00 51.23 H new ATOM 0 HB2 ARG A 68 26.895 -0.860 7.231 1.00 20.53 H new ATOM 0 HB3 ARG A 68 28.644 -0.967 7.182 1.00 20.53 H new ATOM 0 HG2 ARG A 68 28.488 -2.725 5.802 1.00 23.24 H new ATOM 0 HG3 ARG A 68 27.696 -3.644 7.066 1.00 23.24 H new ATOM 0 HD2 ARG A 68 25.560 -2.233 6.282 1.00 24.35 H new ATOM 0 HD3 ARG A 68 26.477 -2.093 4.795 1.00 24.35 H new ATOM 0 HE ARG A 68 26.014 -4.318 4.321 1.00 12.35 H new ATOM 0 HH11 ARG A 68 25.560 -3.699 7.768 1.00 14.20 H new ATOM 0 HH12 ARG A 68 24.896 -5.305 8.086 1.00 14.20 H new ATOM 0 HH21 ARG A 68 25.160 -6.378 4.739 1.00 42.15 H new ATOM 0 HH22 ARG A 68 24.670 -6.816 6.379 1.00 42.15 H new ATOM 1018 N PHE A 69 29.397 -1.182 10.534 1.00 34.23 N ATOM 1019 CA PHE A 69 30.118 -0.224 11.365 1.00 75.54 C ATOM 1020 C PHE A 69 31.362 0.289 10.647 1.00 50.54 C ATOM 1021 O PHE A 69 32.324 -0.451 10.441 1.00 64.34 O ATOM 1022 CB PHE A 69 30.512 -0.867 12.696 1.00 30.01 C ATOM 1023 CG PHE A 69 29.339 -1.187 13.578 1.00 1.21 C ATOM 1024 CD1 PHE A 69 28.860 -0.252 14.482 1.00 71.22 C ATOM 1025 CD2 PHE A 69 28.716 -2.422 13.504 1.00 61.21 C ATOM 1026 CE1 PHE A 69 27.780 -0.543 15.295 1.00 65.12 C ATOM 1027 CE2 PHE A 69 27.636 -2.719 14.314 1.00 41.51 C ATOM 1028 CZ PHE A 69 27.169 -1.778 15.211 1.00 35.33 C ATOM 0 H PHE A 69 29.701 -2.149 10.645 1.00 34.23 H new ATOM 0 HA PHE A 69 29.457 0.621 11.559 1.00 75.54 H new ATOM 0 HB2 PHE A 69 31.067 -1.784 12.497 1.00 30.01 H new ATOM 0 HB3 PHE A 69 31.185 -0.196 13.229 1.00 30.01 H new ATOM 0 HD1 PHE A 69 29.336 0.715 14.552 1.00 71.22 H new ATOM 0 HD2 PHE A 69 29.078 -3.161 12.805 1.00 61.21 H new ATOM 0 HE1 PHE A 69 27.415 0.195 15.994 1.00 65.12 H new ATOM 0 HE2 PHE A 69 27.158 -3.685 14.246 1.00 41.51 H new ATOM 0 HZ PHE A 69 26.326 -2.008 15.846 1.00 35.33 H new ATOM 1038 N LEU A 70 31.335 1.562 10.267 1.00 3.33 N ATOM 1039 CA LEU A 70 32.461 2.177 9.571 1.00 35.04 C ATOM 1040 C LEU A 70 33.060 3.310 10.399 1.00 74.40 C ATOM 1041 O LEU A 70 32.360 3.966 11.171 1.00 30.30 O ATOM 1042 CB LEU A 70 32.014 2.707 8.208 1.00 41.22 C ATOM 1043 CG LEU A 70 30.592 3.265 8.137 1.00 21.12 C ATOM 1044 CD1 LEU A 70 30.483 4.553 8.939 1.00 24.40 C ATOM 1045 CD2 LEU A 70 30.182 3.499 6.691 1.00 42.14 C ATOM 0 H LEU A 70 30.546 2.188 10.429 1.00 3.33 H new ATOM 0 HA LEU A 70 33.227 1.415 9.425 1.00 35.04 H new ATOM 0 HB2 LEU A 70 32.706 3.491 7.901 1.00 41.22 H new ATOM 0 HB3 LEU A 70 32.103 1.900 7.480 1.00 41.22 H new ATOM 0 HG LEU A 70 29.913 2.532 8.572 1.00 21.12 H new ATOM 0 HD11 LEU A 70 29.464 4.935 8.877 1.00 24.40 H new ATOM 0 HD12 LEU A 70 30.733 4.355 9.981 1.00 24.40 H new ATOM 0 HD13 LEU A 70 31.174 5.293 8.534 1.00 24.40 H new ATOM 0 HD21 LEU A 70 29.167 3.896 6.660 1.00 42.14 H new ATOM 0 HD22 LEU A 70 30.865 4.212 6.230 1.00 42.14 H new ATOM 0 HD23 LEU A 70 30.219 2.556 6.145 1.00 42.14 H new ATOM 1057 N PHE A 71 34.358 3.535 10.231 1.00 4.21 N ATOM 1058 CA PHE A 71 35.052 4.590 10.962 1.00 72.25 C ATOM 1059 C PHE A 71 35.710 5.575 10.000 1.00 11.11 C ATOM 1060 O PHE A 71 36.719 5.262 9.368 1.00 52.23 O ATOM 1061 CB PHE A 71 36.106 3.986 11.892 1.00 41.50 C ATOM 1062 CG PHE A 71 37.110 4.987 12.389 1.00 40.01 C ATOM 1063 CD1 PHE A 71 36.702 6.232 12.841 1.00 22.52 C ATOM 1064 CD2 PHE A 71 38.462 4.683 12.403 1.00 12.13 C ATOM 1065 CE1 PHE A 71 37.623 7.154 13.299 1.00 4.45 C ATOM 1066 CE2 PHE A 71 39.388 5.602 12.861 1.00 75.32 C ATOM 1067 CZ PHE A 71 38.968 6.839 13.308 1.00 0.33 C ATOM 0 H PHE A 71 34.951 3.002 9.595 1.00 4.21 H new ATOM 0 HA PHE A 71 34.317 5.129 11.559 1.00 72.25 H new ATOM 0 HB2 PHE A 71 35.606 3.529 12.746 1.00 41.50 H new ATOM 0 HB3 PHE A 71 36.630 3.188 11.365 1.00 41.50 H new ATOM 0 HD1 PHE A 71 35.652 6.484 12.835 1.00 22.52 H new ATOM 0 HD2 PHE A 71 38.796 3.718 12.052 1.00 12.13 H new ATOM 0 HE1 PHE A 71 37.292 8.120 13.650 1.00 4.45 H new ATOM 0 HE2 PHE A 71 40.439 5.352 12.869 1.00 75.32 H new ATOM 0 HZ PHE A 71 39.690 7.559 13.664 1.00 0.33 H new ATOM 1077 N ASP A 72 35.131 6.766 9.895 1.00 11.12 N ATOM 1078 CA ASP A 72 35.660 7.799 9.012 1.00 62.53 C ATOM 1079 C ASP A 72 35.694 7.312 7.566 1.00 23.34 C ATOM 1080 O ASP A 72 36.434 7.843 6.739 1.00 30.31 O ATOM 1081 CB ASP A 72 37.064 8.211 9.457 1.00 21.53 C ATOM 1082 CG ASP A 72 37.158 9.689 9.781 1.00 24.41 C ATOM 1083 OD1 ASP A 72 37.249 10.498 8.835 1.00 51.12 O ATOM 1084 OD2 ASP A 72 37.142 10.036 10.981 1.00 65.22 O ATOM 0 H ASP A 72 34.295 7.040 10.411 1.00 11.12 H new ATOM 0 HA ASP A 72 35.000 8.665 9.070 1.00 62.53 H new ATOM 0 HB2 ASP A 72 37.349 7.631 10.335 1.00 21.53 H new ATOM 0 HB3 ASP A 72 37.777 7.969 8.669 1.00 21.53 H new ATOM 1089 N GLY A 73 34.888 6.296 7.270 1.00 45.42 N ATOM 1090 CA GLY A 73 34.843 5.754 5.925 1.00 53.15 C ATOM 1091 C GLY A 73 35.466 4.376 5.834 1.00 64.54 C ATOM 1092 O GLY A 73 35.630 3.830 4.742 1.00 74.32 O ATOM 0 H GLY A 73 34.266 5.839 7.937 1.00 45.42 H new ATOM 0 HA2 GLY A 73 33.806 5.703 5.592 1.00 53.15 H new ATOM 0 HA3 GLY A 73 35.363 6.430 5.247 1.00 53.15 H new ATOM 1096 N THR A 74 35.819 3.810 6.984 1.00 35.21 N ATOM 1097 CA THR A 74 36.431 2.488 7.030 1.00 74.00 C ATOM 1098 C THR A 74 35.464 1.454 7.595 1.00 31.32 C ATOM 1099 O THR A 74 35.432 1.190 8.797 1.00 24.24 O ATOM 1100 CB THR A 74 37.715 2.493 7.881 1.00 74.32 C ATOM 1101 OG1 THR A 74 37.395 2.773 9.248 1.00 2.12 O ATOM 1102 CG2 THR A 74 38.703 3.527 7.363 1.00 31.13 C ATOM 0 H THR A 74 35.691 4.247 7.897 1.00 35.21 H new ATOM 0 HA THR A 74 36.685 2.221 6.004 1.00 74.00 H new ATOM 0 HB THR A 74 38.175 1.508 7.811 1.00 74.32 H new ATOM 0 HG1 THR A 74 37.492 3.733 9.417 1.00 2.12 H new ATOM 0 HG21 THR A 74 39.602 3.512 7.979 1.00 31.13 H new ATOM 0 HG22 THR A 74 38.967 3.294 6.331 1.00 31.13 H new ATOM 0 HG23 THR A 74 38.250 4.517 7.406 1.00 31.13 H new ATOM 1110 N PRO A 75 34.656 0.852 6.710 1.00 54.11 N ATOM 1111 CA PRO A 75 33.673 -0.164 7.098 1.00 23.52 C ATOM 1112 C PRO A 75 34.331 -1.470 7.533 1.00 51.22 C ATOM 1113 O PRO A 75 34.730 -2.283 6.698 1.00 14.41 O ATOM 1114 CB PRO A 75 32.858 -0.376 5.820 1.00 32.13 C ATOM 1115 CG PRO A 75 33.778 0.012 4.715 1.00 41.21 C ATOM 1116 CD PRO A 75 34.639 1.117 5.262 1.00 54.54 C ATOM 0 HA PRO A 75 33.075 0.152 7.953 1.00 23.52 H new ATOM 0 HB2 PRO A 75 32.538 -1.413 5.722 1.00 32.13 H new ATOM 0 HB3 PRO A 75 31.957 0.237 5.819 1.00 32.13 H new ATOM 0 HG2 PRO A 75 34.386 -0.835 4.397 1.00 41.21 H new ATOM 0 HG3 PRO A 75 33.219 0.349 3.842 1.00 41.21 H new ATOM 0 HD2 PRO A 75 35.643 1.092 4.837 1.00 54.54 H new ATOM 0 HD3 PRO A 75 34.222 2.099 5.038 1.00 54.54 H new ATOM 1124 N ILE A 76 34.441 -1.664 8.843 1.00 74.24 N ATOM 1125 CA ILE A 76 35.049 -2.872 9.387 1.00 74.02 C ATOM 1126 C ILE A 76 34.449 -3.226 10.744 1.00 42.15 C ATOM 1127 O ILE A 76 34.106 -2.344 11.531 1.00 25.03 O ATOM 1128 CB ILE A 76 36.573 -2.716 9.537 1.00 65.33 C ATOM 1129 CG1 ILE A 76 37.210 -2.386 8.185 1.00 13.10 C ATOM 1130 CG2 ILE A 76 37.181 -3.984 10.118 1.00 33.33 C ATOM 1131 CD1 ILE A 76 38.714 -2.237 8.245 1.00 12.04 C ATOM 0 H ILE A 76 34.117 -1.001 9.547 1.00 74.24 H new ATOM 0 HA ILE A 76 34.842 -3.676 8.680 1.00 74.02 H new ATOM 0 HB ILE A 76 36.773 -1.893 10.223 1.00 65.33 H new ATOM 0 HG12 ILE A 76 36.959 -3.172 7.473 1.00 13.10 H new ATOM 0 HG13 ILE A 76 36.776 -1.461 7.804 1.00 13.10 H new ATOM 0 HG21 ILE A 76 38.259 -3.858 10.218 1.00 33.33 H new ATOM 0 HG22 ILE A 76 36.746 -4.180 11.098 1.00 33.33 H new ATOM 0 HG23 ILE A 76 36.974 -4.824 9.455 1.00 33.33 H new ATOM 0 HD11 ILE A 76 39.096 -2.004 7.251 1.00 12.04 H new ATOM 0 HD12 ILE A 76 38.973 -1.431 8.932 1.00 12.04 H new ATOM 0 HD13 ILE A 76 39.158 -3.169 8.595 1.00 12.04 H new ATOM 1143 N ASP A 77 34.327 -4.521 11.010 1.00 21.53 N ATOM 1144 CA ASP A 77 33.772 -4.993 12.274 1.00 52.03 C ATOM 1145 C ASP A 77 34.805 -5.801 13.053 1.00 15.24 C ATOM 1146 O ASP A 77 34.897 -7.018 12.901 1.00 23.20 O ATOM 1147 CB ASP A 77 32.525 -5.843 12.022 1.00 65.02 C ATOM 1148 CG ASP A 77 32.135 -6.670 13.231 1.00 73.02 C ATOM 1149 OD1 ASP A 77 32.358 -6.202 14.367 1.00 51.24 O ATOM 1150 OD2 ASP A 77 31.606 -7.786 13.041 1.00 4.13 O ATOM 0 H ASP A 77 34.605 -5.263 10.368 1.00 21.53 H new ATOM 0 HA ASP A 77 33.495 -4.123 12.869 1.00 52.03 H new ATOM 0 HB2 ASP A 77 31.695 -5.192 11.747 1.00 65.02 H new ATOM 0 HB3 ASP A 77 32.705 -6.505 11.175 1.00 65.02 H new ATOM 1155 N GLU A 78 35.579 -5.114 13.888 1.00 52.23 N ATOM 1156 CA GLU A 78 36.606 -5.768 14.689 1.00 20.34 C ATOM 1157 C GLU A 78 37.332 -4.758 15.573 1.00 64.11 C ATOM 1158 O GLU A 78 37.219 -3.548 15.376 1.00 53.33 O ATOM 1159 CB GLU A 78 37.610 -6.486 13.785 1.00 41.01 C ATOM 1160 CG GLU A 78 37.471 -7.999 13.802 1.00 43.03 C ATOM 1161 CD GLU A 78 37.736 -8.624 12.446 1.00 72.22 C ATOM 1162 OE1 GLU A 78 37.105 -8.191 11.459 1.00 63.11 O ATOM 1163 OE2 GLU A 78 38.574 -9.547 12.372 1.00 2.02 O ATOM 0 H GLU A 78 35.514 -4.106 14.027 1.00 52.23 H new ATOM 0 HA GLU A 78 36.117 -6.501 15.331 1.00 20.34 H new ATOM 0 HB2 GLU A 78 37.485 -6.130 12.763 1.00 41.01 H new ATOM 0 HB3 GLU A 78 38.620 -6.219 14.094 1.00 41.01 H new ATOM 0 HG2 GLU A 78 38.165 -8.416 14.532 1.00 43.03 H new ATOM 0 HG3 GLU A 78 36.466 -8.264 14.130 1.00 43.03 H new ATOM 1170 N THR A 79 38.080 -5.264 16.549 1.00 15.03 N ATOM 1171 CA THR A 79 38.823 -4.408 17.465 1.00 41.33 C ATOM 1172 C THR A 79 40.326 -4.555 17.257 1.00 21.20 C ATOM 1173 O THR A 79 41.101 -4.533 18.214 1.00 72.43 O ATOM 1174 CB THR A 79 38.485 -4.728 18.933 1.00 4.10 C ATOM 1175 OG1 THR A 79 39.093 -3.761 19.797 1.00 21.54 O ATOM 1176 CG2 THR A 79 38.964 -6.122 19.307 1.00 64.41 C ATOM 0 H THR A 79 38.187 -6.263 16.725 1.00 15.03 H new ATOM 0 HA THR A 79 38.528 -3.381 17.248 1.00 41.33 H new ATOM 0 HB THR A 79 37.402 -4.690 19.050 1.00 4.10 H new ATOM 0 HG1 THR A 79 40.066 -3.878 19.786 1.00 21.54 H new ATOM 0 HG21 THR A 79 38.714 -6.325 20.348 1.00 64.41 H new ATOM 0 HG22 THR A 79 38.478 -6.858 18.667 1.00 64.41 H new ATOM 0 HG23 THR A 79 40.044 -6.183 19.174 1.00 64.41 H new ATOM 1184 N LYS A 80 40.733 -4.705 16.001 1.00 3.12 N ATOM 1185 CA LYS A 80 42.145 -4.854 15.666 1.00 35.15 C ATOM 1186 C LYS A 80 42.485 -4.091 14.391 1.00 52.44 C ATOM 1187 O LYS A 80 43.528 -3.442 14.302 1.00 61.34 O ATOM 1188 CB LYS A 80 42.496 -6.334 15.497 1.00 0.11 C ATOM 1189 CG LYS A 80 43.882 -6.692 16.005 1.00 42.35 C ATOM 1190 CD LYS A 80 43.936 -6.699 17.523 1.00 15.21 C ATOM 1191 CE LYS A 80 44.894 -7.759 18.042 1.00 24.32 C ATOM 1192 NZ LYS A 80 44.174 -8.887 18.694 1.00 34.35 N ATOM 0 H LYS A 80 40.105 -4.727 15.198 1.00 3.12 H new ATOM 0 HA LYS A 80 42.733 -4.438 16.484 1.00 35.15 H new ATOM 0 HB2 LYS A 80 41.757 -6.937 16.026 1.00 0.11 H new ATOM 0 HB3 LYS A 80 42.426 -6.597 14.442 1.00 0.11 H new ATOM 0 HG2 LYS A 80 44.167 -7.673 15.626 1.00 42.35 H new ATOM 0 HG3 LYS A 80 44.608 -5.977 15.618 1.00 42.35 H new ATOM 0 HD2 LYS A 80 44.248 -5.718 17.881 1.00 15.21 H new ATOM 0 HD3 LYS A 80 42.939 -6.882 17.923 1.00 15.21 H new ATOM 0 HE2 LYS A 80 45.495 -8.141 17.217 1.00 24.32 H new ATOM 0 HE3 LYS A 80 45.583 -7.307 18.756 1.00 24.32 H new ATOM 0 HZ1 LYS A 80 44.860 -9.510 19.167 1.00 34.35 H new ATOM 0 HZ2 LYS A 80 43.505 -8.512 19.397 1.00 34.35 H new ATOM 0 HZ3 LYS A 80 43.653 -9.428 17.975 1.00 34.35 H new ATOM 1206 N THR A 81 41.597 -4.170 13.404 1.00 62.20 N ATOM 1207 CA THR A 81 41.803 -3.487 12.133 1.00 4.24 C ATOM 1208 C THR A 81 41.681 -1.976 12.296 1.00 44.04 C ATOM 1209 O THR A 81 42.607 -1.219 12.001 1.00 75.03 O ATOM 1210 CB THR A 81 40.794 -3.961 11.070 1.00 4.33 C ATOM 1211 OG1 THR A 81 39.864 -4.879 11.653 1.00 34.35 O ATOM 1212 CG2 THR A 81 41.509 -4.627 9.905 1.00 45.14 C ATOM 0 H THR A 81 40.728 -4.701 13.461 1.00 62.20 H new ATOM 0 HA THR A 81 42.811 -3.734 11.801 1.00 4.24 H new ATOM 0 HB THR A 81 40.257 -3.089 10.696 1.00 4.33 H new ATOM 0 HG1 THR A 81 39.489 -5.453 10.953 1.00 34.35 H new ATOM 0 HG21 THR A 81 40.776 -4.953 9.167 1.00 45.14 H new ATOM 0 HG22 THR A 81 42.195 -3.916 9.445 1.00 45.14 H new ATOM 0 HG23 THR A 81 42.069 -5.490 10.267 1.00 45.14 H new ATOM 1220 N PRO A 82 40.514 -1.524 12.776 1.00 34.04 N ATOM 1221 CA PRO A 82 40.244 -0.099 12.990 1.00 73.11 C ATOM 1222 C PRO A 82 41.055 0.478 14.145 1.00 33.32 C ATOM 1223 O PRO A 82 41.368 1.668 14.162 1.00 74.41 O ATOM 1224 CB PRO A 82 38.749 -0.066 13.317 1.00 32.42 C ATOM 1225 CG PRO A 82 38.452 -1.418 13.869 1.00 2.24 C ATOM 1226 CD PRO A 82 39.367 -2.369 13.149 1.00 31.41 C ATOM 0 HA PRO A 82 40.518 0.502 12.123 1.00 73.11 H new ATOM 0 HB2 PRO A 82 38.519 0.716 14.040 1.00 32.42 H new ATOM 0 HB3 PRO A 82 38.153 0.138 12.427 1.00 32.42 H new ATOM 0 HG2 PRO A 82 38.627 -1.447 14.945 1.00 2.24 H new ATOM 0 HG3 PRO A 82 37.407 -1.684 13.708 1.00 2.24 H new ATOM 0 HD2 PRO A 82 39.670 -3.197 13.789 1.00 31.41 H new ATOM 0 HD3 PRO A 82 38.886 -2.803 12.272 1.00 31.41 H new ATOM 1234 N GLU A 83 41.392 -0.374 15.109 1.00 51.22 N ATOM 1235 CA GLU A 83 42.167 0.053 16.268 1.00 14.30 C ATOM 1236 C GLU A 83 43.634 0.253 15.898 1.00 34.05 C ATOM 1237 O GLU A 83 44.283 1.182 16.376 1.00 1.52 O ATOM 1238 CB GLU A 83 42.049 -0.975 17.395 1.00 14.10 C ATOM 1239 CG GLU A 83 43.067 -2.098 17.303 1.00 25.41 C ATOM 1240 CD GLU A 83 44.420 -1.706 17.864 1.00 24.45 C ATOM 1241 OE1 GLU A 83 44.506 -0.645 18.516 1.00 5.53 O ATOM 1242 OE2 GLU A 83 45.393 -2.461 17.652 1.00 13.41 O ATOM 0 H GLU A 83 41.141 -1.363 15.110 1.00 51.22 H new ATOM 0 HA GLU A 83 41.764 1.006 16.612 1.00 14.30 H new ATOM 0 HB2 GLU A 83 42.166 -0.467 18.352 1.00 14.10 H new ATOM 0 HB3 GLU A 83 41.047 -1.403 17.382 1.00 14.10 H new ATOM 0 HG2 GLU A 83 42.692 -2.968 17.842 1.00 25.41 H new ATOM 0 HG3 GLU A 83 43.182 -2.395 16.260 1.00 25.41 H new ATOM 1249 N GLU A 84 44.148 -0.627 15.045 1.00 20.12 N ATOM 1250 CA GLU A 84 45.538 -0.548 14.613 1.00 64.21 C ATOM 1251 C GLU A 84 45.710 0.503 13.520 1.00 14.33 C ATOM 1252 O GLU A 84 46.795 1.058 13.341 1.00 73.11 O ATOM 1253 CB GLU A 84 46.016 -1.910 14.105 1.00 72.25 C ATOM 1254 CG GLU A 84 45.582 -2.215 12.681 1.00 53.44 C ATOM 1255 CD GLU A 84 46.089 -3.557 12.191 1.00 72.05 C ATOM 1256 OE1 GLU A 84 47.234 -3.615 11.696 1.00 11.12 O ATOM 1257 OE2 GLU A 84 45.340 -4.550 12.302 1.00 35.10 O ATOM 0 H GLU A 84 43.623 -1.402 14.640 1.00 20.12 H new ATOM 0 HA GLU A 84 46.142 -0.256 15.472 1.00 64.21 H new ATOM 0 HB2 GLU A 84 47.104 -1.948 14.160 1.00 72.25 H new ATOM 0 HB3 GLU A 84 45.636 -2.689 14.766 1.00 72.25 H new ATOM 0 HG2 GLU A 84 44.493 -2.200 12.626 1.00 53.44 H new ATOM 0 HG3 GLU A 84 45.946 -1.430 12.018 1.00 53.44 H new ATOM 1264 N LEU A 85 44.631 0.772 12.792 1.00 4.13 N ATOM 1265 CA LEU A 85 44.661 1.757 11.716 1.00 32.41 C ATOM 1266 C LEU A 85 44.456 3.166 12.262 1.00 43.21 C ATOM 1267 O LEU A 85 45.016 4.131 11.743 1.00 53.12 O ATOM 1268 CB LEU A 85 43.584 1.438 10.678 1.00 52.35 C ATOM 1269 CG LEU A 85 43.490 2.399 9.491 1.00 25.24 C ATOM 1270 CD1 LEU A 85 43.300 1.628 8.194 1.00 0.22 C ATOM 1271 CD2 LEU A 85 42.355 3.391 9.696 1.00 34.54 C ATOM 0 H LEU A 85 43.726 0.322 12.927 1.00 4.13 H new ATOM 0 HA LEU A 85 45.641 1.711 11.241 1.00 32.41 H new ATOM 0 HB2 LEU A 85 43.764 0.434 10.294 1.00 52.35 H new ATOM 0 HB3 LEU A 85 42.617 1.418 11.181 1.00 52.35 H new ATOM 0 HG LEU A 85 44.424 2.956 9.424 1.00 25.24 H new ATOM 0 HD11 LEU A 85 43.235 2.328 7.361 1.00 0.22 H new ATOM 0 HD12 LEU A 85 44.147 0.959 8.041 1.00 0.22 H new ATOM 0 HD13 LEU A 85 42.381 1.044 8.249 1.00 0.22 H new ATOM 0 HD21 LEU A 85 42.303 4.066 8.842 1.00 34.54 H new ATOM 0 HD22 LEU A 85 41.413 2.851 9.789 1.00 34.54 H new ATOM 0 HD23 LEU A 85 42.535 3.967 10.604 1.00 34.54 H new ATOM 1283 N GLY A 86 43.652 3.277 13.315 1.00 74.23 N ATOM 1284 CA GLY A 86 43.389 4.572 13.915 1.00 63.21 C ATOM 1285 C GLY A 86 44.518 5.033 14.816 1.00 71.42 C ATOM 1286 O GLY A 86 44.997 6.160 14.694 1.00 21.42 O ATOM 0 H GLY A 86 43.178 2.493 13.763 1.00 74.23 H new ATOM 0 HA2 GLY A 86 43.233 5.309 13.127 1.00 63.21 H new ATOM 0 HA3 GLY A 86 42.465 4.521 14.492 1.00 63.21 H new ATOM 1290 N MET A 87 44.942 4.160 15.724 1.00 64.34 N ATOM 1291 CA MET A 87 46.022 4.484 16.649 1.00 13.11 C ATOM 1292 C MET A 87 45.636 5.658 17.544 1.00 61.31 C ATOM 1293 O MET A 87 46.405 6.605 17.705 1.00 30.35 O ATOM 1294 CB MET A 87 47.301 4.814 15.878 1.00 3.32 C ATOM 1295 CG MET A 87 47.622 3.816 14.778 1.00 44.24 C ATOM 1296 SD MET A 87 49.314 3.200 14.871 1.00 22.41 S ATOM 1297 CE MET A 87 50.192 4.484 13.984 1.00 42.04 C ATOM 0 H MET A 87 44.555 3.223 15.839 1.00 64.34 H new ATOM 0 HA MET A 87 46.202 3.613 17.279 1.00 13.11 H new ATOM 0 HB2 MET A 87 47.205 5.807 15.439 1.00 3.32 H new ATOM 0 HB3 MET A 87 48.137 4.853 16.577 1.00 3.32 H new ATOM 0 HG2 MET A 87 46.930 2.976 14.841 1.00 44.24 H new ATOM 0 HG3 MET A 87 47.464 4.287 13.808 1.00 44.24 H new ATOM 0 HE1 MET A 87 51.255 4.245 13.956 1.00 42.04 H new ATOM 0 HE2 MET A 87 49.808 4.551 12.966 1.00 42.04 H new ATOM 0 HE3 MET A 87 50.048 5.439 14.489 1.00 42.04 H new ATOM 1307 N GLU A 88 44.441 5.588 18.122 1.00 21.22 N ATOM 1308 CA GLU A 88 43.955 6.646 19.000 1.00 53.04 C ATOM 1309 C GLU A 88 42.893 6.114 19.958 1.00 71.55 C ATOM 1310 O GLU A 88 42.454 4.969 19.841 1.00 50.24 O ATOM 1311 CB GLU A 88 43.380 7.799 18.174 1.00 4.53 C ATOM 1312 CG GLU A 88 42.179 7.406 17.332 1.00 73.21 C ATOM 1313 CD GLU A 88 42.309 7.848 15.887 1.00 30.13 C ATOM 1314 OE1 GLU A 88 42.632 9.032 15.657 1.00 53.22 O ATOM 1315 OE2 GLU A 88 42.088 7.011 14.988 1.00 61.43 O ATOM 0 H GLU A 88 43.792 4.811 17.998 1.00 21.22 H new ATOM 0 HA GLU A 88 44.798 7.012 19.587 1.00 53.04 H new ATOM 0 HB2 GLU A 88 43.093 8.608 18.846 1.00 4.53 H new ATOM 0 HB3 GLU A 88 44.159 8.190 17.520 1.00 4.53 H new ATOM 0 HG2 GLU A 88 42.054 6.324 17.367 1.00 73.21 H new ATOM 0 HG3 GLU A 88 41.279 7.845 17.763 1.00 73.21 H new ATOM 1322 N ASP A 89 42.485 6.951 20.904 1.00 4.34 N ATOM 1323 CA ASP A 89 41.475 6.566 21.883 1.00 50.31 C ATOM 1324 C ASP A 89 40.118 7.165 21.526 1.00 34.55 C ATOM 1325 O ASP A 89 39.217 7.228 22.364 1.00 42.34 O ATOM 1326 CB ASP A 89 41.893 7.017 23.283 1.00 32.15 C ATOM 1327 CG ASP A 89 42.480 8.414 23.291 1.00 44.42 C ATOM 1328 OD1 ASP A 89 43.671 8.560 22.942 1.00 72.25 O ATOM 1329 OD2 ASP A 89 41.750 9.363 23.645 1.00 72.10 O ATOM 0 H ASP A 89 42.838 7.902 21.014 1.00 4.34 H new ATOM 0 HA ASP A 89 41.388 5.480 21.871 1.00 50.31 H new ATOM 0 HB2 ASP A 89 41.027 6.986 23.945 1.00 32.15 H new ATOM 0 HB3 ASP A 89 42.626 6.316 23.683 1.00 32.15 H new ATOM 1334 N ASP A 90 39.979 7.602 20.280 1.00 51.30 N ATOM 1335 CA ASP A 90 38.731 8.196 19.812 1.00 25.44 C ATOM 1336 C ASP A 90 38.166 7.412 18.632 1.00 34.44 C ATOM 1337 O ASP A 90 37.704 7.995 17.651 1.00 34.44 O ATOM 1338 CB ASP A 90 38.955 9.655 19.411 1.00 33.44 C ATOM 1339 CG ASP A 90 39.243 10.545 20.604 1.00 53.21 C ATOM 1340 OD1 ASP A 90 38.796 10.206 21.720 1.00 52.11 O ATOM 1341 OD2 ASP A 90 39.916 11.581 20.422 1.00 72.15 O ATOM 0 H ASP A 90 40.715 7.557 19.575 1.00 51.30 H new ATOM 0 HA ASP A 90 38.010 8.159 20.629 1.00 25.44 H new ATOM 0 HB2 ASP A 90 39.787 9.712 18.709 1.00 33.44 H new ATOM 0 HB3 ASP A 90 38.072 10.025 18.890 1.00 33.44 H new ATOM 1346 N ASP A 91 38.206 6.088 18.734 1.00 22.24 N ATOM 1347 CA ASP A 91 37.698 5.223 17.676 1.00 54.43 C ATOM 1348 C ASP A 91 36.174 5.268 17.623 1.00 33.20 C ATOM 1349 O ASP A 91 35.496 4.772 18.524 1.00 41.25 O ATOM 1350 CB ASP A 91 38.171 3.785 17.891 1.00 41.13 C ATOM 1351 CG ASP A 91 37.357 2.783 17.097 1.00 71.43 C ATOM 1352 OD1 ASP A 91 36.923 3.125 15.977 1.00 75.23 O ATOM 1353 OD2 ASP A 91 37.155 1.656 17.595 1.00 72.33 O ATOM 0 H ASP A 91 38.585 5.590 19.539 1.00 22.24 H new ATOM 0 HA ASP A 91 38.088 5.586 16.725 1.00 54.43 H new ATOM 0 HB2 ASP A 91 39.220 3.704 17.606 1.00 41.13 H new ATOM 0 HB3 ASP A 91 38.109 3.540 18.951 1.00 41.13 H new ATOM 1358 N VAL A 92 35.640 5.866 16.562 1.00 24.04 N ATOM 1359 CA VAL A 92 34.197 5.975 16.392 1.00 55.51 C ATOM 1360 C VAL A 92 33.702 5.048 15.288 1.00 54.12 C ATOM 1361 O VAL A 92 34.368 4.870 14.268 1.00 41.12 O ATOM 1362 CB VAL A 92 33.779 7.420 16.060 1.00 54.25 C ATOM 1363 CG1 VAL A 92 34.456 8.403 17.002 1.00 23.35 C ATOM 1364 CG2 VAL A 92 34.104 7.748 14.610 1.00 1.43 C ATOM 0 H VAL A 92 36.186 6.282 15.808 1.00 24.04 H new ATOM 0 HA VAL A 92 33.744 5.682 17.339 1.00 55.51 H new ATOM 0 HB VAL A 92 32.701 7.508 16.197 1.00 54.25 H new ATOM 0 HG11 VAL A 92 34.148 9.418 16.751 1.00 23.35 H new ATOM 0 HG12 VAL A 92 34.168 8.180 18.029 1.00 23.35 H new ATOM 0 HG13 VAL A 92 35.538 8.317 16.902 1.00 23.35 H new ATOM 0 HG21 VAL A 92 33.802 8.773 14.392 1.00 1.43 H new ATOM 0 HG22 VAL A 92 35.176 7.643 14.445 1.00 1.43 H new ATOM 0 HG23 VAL A 92 33.567 7.064 13.953 1.00 1.43 H new ATOM 1374 N ILE A 93 32.529 4.460 15.498 1.00 31.12 N ATOM 1375 CA ILE A 93 31.944 3.552 14.520 1.00 72.23 C ATOM 1376 C ILE A 93 30.468 3.863 14.295 1.00 70.43 C ATOM 1377 O ILE A 93 29.651 3.739 15.207 1.00 11.24 O ATOM 1378 CB ILE A 93 32.086 2.083 14.959 1.00 22.34 C ATOM 1379 CG1 ILE A 93 31.758 1.939 16.447 1.00 71.31 C ATOM 1380 CG2 ILE A 93 33.492 1.577 14.670 1.00 13.12 C ATOM 1381 CD1 ILE A 93 30.834 0.780 16.752 1.00 4.34 C ATOM 0 H ILE A 93 31.965 4.596 16.337 1.00 31.12 H new ATOM 0 HA ILE A 93 32.490 3.698 13.588 1.00 72.23 H new ATOM 0 HB ILE A 93 31.379 1.479 14.390 1.00 22.34 H new ATOM 0 HG12 ILE A 93 32.686 1.810 17.005 1.00 71.31 H new ATOM 0 HG13 ILE A 93 31.299 2.862 16.801 1.00 71.31 H new ATOM 0 HG21 ILE A 93 33.577 0.537 14.986 1.00 13.12 H new ATOM 0 HG22 ILE A 93 33.692 1.649 13.601 1.00 13.12 H new ATOM 0 HG23 ILE A 93 34.216 2.182 15.216 1.00 13.12 H new ATOM 0 HD11 ILE A 93 30.645 0.738 17.825 1.00 4.34 H new ATOM 0 HD12 ILE A 93 29.891 0.917 16.222 1.00 4.34 H new ATOM 0 HD13 ILE A 93 31.300 -0.151 16.429 1.00 4.34 H new ATOM 1393 N ASP A 94 30.133 4.265 13.074 1.00 63.33 N ATOM 1394 CA ASP A 94 28.755 4.591 12.727 1.00 72.40 C ATOM 1395 C ASP A 94 28.087 3.427 12.001 1.00 23.41 C ATOM 1396 O ASP A 94 28.454 3.092 10.875 1.00 24.02 O ATOM 1397 CB ASP A 94 28.709 5.846 11.854 1.00 30.22 C ATOM 1398 CG ASP A 94 27.303 6.393 11.700 1.00 65.30 C ATOM 1399 OD1 ASP A 94 26.341 5.638 11.957 1.00 44.53 O ATOM 1400 OD2 ASP A 94 27.165 7.575 11.323 1.00 4.14 O ATOM 0 H ASP A 94 30.797 4.373 12.308 1.00 63.33 H new ATOM 0 HA ASP A 94 28.209 4.781 13.651 1.00 72.40 H new ATOM 0 HB2 ASP A 94 29.348 6.613 12.291 1.00 30.22 H new ATOM 0 HB3 ASP A 94 29.116 5.615 10.869 1.00 30.22 H new ATOM 1405 N ALA A 95 27.106 2.813 12.654 1.00 11.23 N ATOM 1406 CA ALA A 95 26.387 1.687 12.071 1.00 52.51 C ATOM 1407 C ALA A 95 25.331 2.165 11.079 1.00 23.23 C ATOM 1408 O ALA A 95 24.421 2.911 11.439 1.00 43.33 O ATOM 1409 CB ALA A 95 25.744 0.847 13.165 1.00 45.41 C ATOM 0 H ALA A 95 26.791 3.077 13.588 1.00 11.23 H new ATOM 0 HA ALA A 95 27.105 1.070 11.530 1.00 52.51 H new ATOM 0 HB1 ALA A 95 25.211 0.010 12.715 1.00 45.41 H new ATOM 0 HB2 ALA A 95 26.517 0.468 13.834 1.00 45.41 H new ATOM 0 HB3 ALA A 95 25.044 1.461 13.731 1.00 45.41 H new ATOM 1415 N MET A 96 25.460 1.730 9.830 1.00 32.31 N ATOM 1416 CA MET A 96 24.516 2.113 8.787 1.00 73.12 C ATOM 1417 C MET A 96 23.893 0.881 8.138 1.00 70.11 C ATOM 1418 O MET A 96 24.487 -0.197 8.132 1.00 20.34 O ATOM 1419 CB MET A 96 25.214 2.965 7.725 1.00 21.03 C ATOM 1420 CG MET A 96 24.623 4.358 7.579 1.00 65.10 C ATOM 1421 SD MET A 96 25.284 5.246 6.155 1.00 14.25 S ATOM 1422 CE MET A 96 26.089 6.628 6.962 1.00 21.32 C ATOM 0 H MET A 96 26.209 1.112 9.516 1.00 32.31 H new ATOM 0 HA MET A 96 23.722 2.700 9.249 1.00 73.12 H new ATOM 0 HB2 MET A 96 26.271 3.052 7.978 1.00 21.03 H new ATOM 0 HB3 MET A 96 25.157 2.453 6.765 1.00 21.03 H new ATOM 0 HG2 MET A 96 23.540 4.281 7.484 1.00 65.10 H new ATOM 0 HG3 MET A 96 24.823 4.930 8.485 1.00 65.10 H new ATOM 0 HE1 MET A 96 26.547 7.271 6.211 1.00 21.32 H new ATOM 0 HE2 MET A 96 25.352 7.198 7.528 1.00 21.32 H new ATOM 0 HE3 MET A 96 26.858 6.256 7.639 1.00 21.32 H new ATOM 1432 N VAL A 97 22.693 1.048 7.592 1.00 54.01 N ATOM 1433 CA VAL A 97 21.990 -0.050 6.940 1.00 72.44 C ATOM 1434 C VAL A 97 22.170 0.003 5.427 1.00 44.13 C ATOM 1435 O VAL A 97 22.000 1.053 4.809 1.00 42.43 O ATOM 1436 CB VAL A 97 20.485 -0.027 7.267 1.00 30.11 C ATOM 1437 CG1 VAL A 97 20.262 -0.176 8.764 1.00 32.43 C ATOM 1438 CG2 VAL A 97 19.847 1.253 6.750 1.00 43.43 C ATOM 0 H VAL A 97 22.187 1.934 7.588 1.00 54.01 H new ATOM 0 HA VAL A 97 22.424 -0.974 7.323 1.00 72.44 H new ATOM 0 HB VAL A 97 20.009 -0.871 6.767 1.00 30.11 H new ATOM 0 HG11 VAL A 97 19.193 -0.158 8.976 1.00 32.43 H new ATOM 0 HG12 VAL A 97 20.683 -1.123 9.102 1.00 32.43 H new ATOM 0 HG13 VAL A 97 20.750 0.646 9.288 1.00 32.43 H new ATOM 0 HG21 VAL A 97 18.784 1.252 6.990 1.00 43.43 H new ATOM 0 HG22 VAL A 97 20.324 2.113 7.220 1.00 43.43 H new ATOM 0 HG23 VAL A 97 19.975 1.313 5.669 1.00 43.43 H new ATOM 1448 N GLU A 98 22.516 -1.137 4.837 1.00 73.13 N ATOM 1449 CA GLU A 98 22.720 -1.219 3.395 1.00 34.32 C ATOM 1450 C GLU A 98 21.639 -2.075 2.741 1.00 61.52 C ATOM 1451 O GLU A 98 21.911 -2.827 1.805 1.00 23.23 O ATOM 1452 CB GLU A 98 24.102 -1.798 3.085 1.00 34.24 C ATOM 1453 CG GLU A 98 24.756 -1.187 1.858 1.00 62.32 C ATOM 1454 CD GLU A 98 23.798 -1.055 0.690 1.00 33.42 C ATOM 1455 OE1 GLU A 98 23.655 -2.032 -0.074 1.00 71.41 O ATOM 1456 OE2 GLU A 98 23.190 0.026 0.541 1.00 21.45 O ATOM 0 H GLU A 98 22.661 -2.016 5.335 1.00 73.13 H new ATOM 0 HA GLU A 98 22.657 -0.210 2.987 1.00 34.32 H new ATOM 0 HB2 GLU A 98 24.752 -1.646 3.947 1.00 34.24 H new ATOM 0 HB3 GLU A 98 24.012 -2.875 2.940 1.00 34.24 H new ATOM 0 HG2 GLU A 98 25.150 -0.203 2.113 1.00 62.32 H new ATOM 0 HG3 GLU A 98 25.605 -1.802 1.559 1.00 62.32 H new ATOM 1463 N GLN A 99 20.414 -1.955 3.241 1.00 74.31 N ATOM 1464 CA GLN A 99 19.292 -2.719 2.706 1.00 5.01 C ATOM 1465 C GLN A 99 19.519 -4.216 2.885 1.00 21.52 C ATOM 1466 O GLN A 99 20.592 -4.647 3.310 1.00 32.02 O ATOM 1467 CB GLN A 99 19.088 -2.396 1.225 1.00 42.40 C ATOM 1468 CG GLN A 99 17.897 -1.490 0.959 1.00 53.22 C ATOM 1469 CD GLN A 99 18.195 -0.033 1.252 1.00 55.53 C ATOM 1470 OE1 GLN A 99 18.856 0.648 0.467 1.00 23.22 O ATOM 1471 NE2 GLN A 99 17.706 0.455 2.386 1.00 0.41 N ATOM 0 H GLN A 99 20.172 -1.337 4.015 1.00 74.31 H new ATOM 0 HA GLN A 99 18.396 -2.437 3.259 1.00 5.01 H new ATOM 0 HB2 GLN A 99 19.989 -1.921 0.838 1.00 42.40 H new ATOM 0 HB3 GLN A 99 18.956 -3.327 0.673 1.00 42.40 H new ATOM 0 HG2 GLN A 99 17.593 -1.592 -0.083 1.00 53.22 H new ATOM 0 HG3 GLN A 99 17.055 -1.815 1.570 1.00 53.22 H new ATOM 0 HE21 GLN A 99 17.163 -0.145 3.007 1.00 0.41 H new ATOM 0 HE22 GLN A 99 17.873 1.430 2.636 1.00 0.41 H new ATOM 1480 N THR A 100 18.502 -5.007 2.559 1.00 74.45 N ATOM 1481 CA THR A 100 18.589 -6.457 2.685 1.00 51.43 C ATOM 1482 C THR A 100 18.198 -7.146 1.383 1.00 63.44 C ATOM 1483 O THR A 100 17.249 -6.740 0.714 1.00 43.33 O ATOM 1484 CB THR A 100 17.686 -6.977 3.819 1.00 22.20 C ATOM 1485 OG1 THR A 100 17.097 -5.877 4.521 1.00 43.42 O ATOM 1486 CG2 THR A 100 18.480 -7.838 4.790 1.00 34.32 C ATOM 0 H THR A 100 17.607 -4.668 2.205 1.00 74.45 H new ATOM 0 HA THR A 100 19.627 -6.692 2.920 1.00 51.43 H new ATOM 0 HB THR A 100 16.899 -7.587 3.376 1.00 22.20 H new ATOM 0 HG1 THR A 100 16.523 -6.217 5.239 1.00 43.42 H new ATOM 0 HG21 THR A 100 17.822 -8.194 5.582 1.00 34.32 H new ATOM 0 HG22 THR A 100 18.902 -8.691 4.259 1.00 34.32 H new ATOM 0 HG23 THR A 100 19.285 -7.247 5.226 1.00 34.32 H new ATOM 1494 N GLY A 101 18.937 -8.194 1.028 1.00 35.15 N ATOM 1495 CA GLY A 101 18.651 -8.924 -0.193 1.00 32.23 C ATOM 1496 C GLY A 101 17.833 -10.175 0.058 1.00 75.33 C ATOM 1497 O GLY A 101 18.154 -10.970 0.940 1.00 4.32 O ATOM 0 H GLY A 101 19.728 -8.550 1.565 1.00 35.15 H new ATOM 0 HA2 GLY A 101 18.113 -8.274 -0.884 1.00 32.23 H new ATOM 0 HA3 GLY A 101 19.588 -9.198 -0.677 1.00 32.23 H new ATOM 1501 N GLY A 102 16.769 -10.351 -0.721 1.00 12.24 N ATOM 1502 CA GLY A 102 15.917 -11.515 -0.562 1.00 24.23 C ATOM 1503 C GLY A 102 15.417 -11.678 0.860 1.00 65.31 C ATOM 1504 O GLY A 102 14.216 -11.599 1.115 1.00 31.23 O ATOM 0 H GLY A 102 16.482 -9.708 -1.459 1.00 12.24 H new ATOM 0 HA2 GLY A 102 15.065 -11.432 -1.236 1.00 24.23 H new ATOM 0 HA3 GLY A 102 16.469 -12.408 -0.854 1.00 24.23 H new TER 1508 GLY A 102