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 Set 1.1: A 33 ASN : amide:sc= -0.405 X(o=-0.85,f=-0.66!) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= -0.444 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0178 (180deg=-0.187) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00612 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.643 USER MOD Single : A 10 ASN : amide:sc= -0.042 X(o=-0.042,f=-0.042) USER MOD Single : A 11 ASN : amide:sc= 0.251 K(o=0.25,f=-3.7!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 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 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -111:sc= -0.321 (180deg=-3.5!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.792 USER MOD Single : A 47 THR OG1 : rot -176:sc= -0.0744 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 96:sc= 1.23 USER MOD Single : A 57 CYS SG : rot -100:sc= -1.01 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 :FLIP amide:sc= -0.359 F(o=-1.1,f=-0.36) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.381 X(o=-0.38,f=-0.85) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 83:sc= 0.394 USER MOD Single : A 79 THR OG1 : rot -54:sc= 0.461 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0.119 (180deg=0.119) USER MOD Single : A 81 THR OG1 : rot -110:sc= 0.0578 USER MOD Single : A 87 MET CE :methyl 175:sc= 0 (180deg=-0.058) 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 9.779 -11.672 -8.820 1.00 70.21 N ATOM 2 CA MET A 1 11.119 -11.268 -8.411 1.00 20.25 C ATOM 3 C MET A 1 11.167 -9.775 -8.104 1.00 52.44 C ATOM 4 O MET A 1 10.523 -8.972 -8.780 1.00 63.04 O ATOM 5 CB MET A 1 12.134 -11.609 -9.503 1.00 61.42 C ATOM 6 CG MET A 1 11.853 -10.923 -10.830 1.00 11.43 C ATOM 7 SD MET A 1 11.537 -12.093 -12.165 1.00 3.23 S ATOM 8 CE MET A 1 11.262 -10.975 -13.537 1.00 33.03 C ATOM 0 H1 MET A 1 9.842 -12.291 -9.654 1.00 70.21 H new ATOM 0 H2 MET A 1 9.319 -12.186 -8.042 1.00 70.21 H new ATOM 0 H3 MET A 1 9.219 -10.828 -9.057 1.00 70.21 H new ATOM 0 HA MET A 1 11.375 -11.816 -7.504 1.00 20.25 H new ATOM 0 HB2 MET A 1 13.130 -11.328 -9.162 1.00 61.42 H new ATOM 0 HB3 MET A 1 12.142 -12.688 -9.656 1.00 61.42 H new ATOM 0 HG2 MET A 1 10.992 -10.264 -10.719 1.00 11.43 H new ATOM 0 HG3 MET A 1 12.703 -10.295 -11.097 1.00 11.43 H new ATOM 0 HE1 MET A 1 11.053 -11.550 -14.439 1.00 33.03 H new ATOM 0 HE2 MET A 1 10.413 -10.328 -13.315 1.00 33.03 H new ATOM 0 HE3 MET A 1 12.152 -10.365 -13.694 1.00 33.03 H new ATOM 18 N SER A 2 11.933 -9.409 -7.081 1.00 53.14 N ATOM 19 CA SER A 2 12.061 -8.012 -6.684 1.00 13.15 C ATOM 20 C SER A 2 13.473 -7.499 -6.949 1.00 53.41 C ATOM 21 O SER A 2 14.452 -8.069 -6.472 1.00 23.25 O ATOM 22 CB SER A 2 11.717 -7.848 -5.202 1.00 34.12 C ATOM 23 OG SER A 2 11.758 -9.094 -4.528 1.00 1.11 O ATOM 0 H SER A 2 12.474 -10.060 -6.512 1.00 53.14 H new ATOM 0 HA SER A 2 11.362 -7.425 -7.280 1.00 13.15 H new ATOM 0 HB2 SER A 2 12.419 -7.156 -4.737 1.00 34.12 H new ATOM 0 HB3 SER A 2 10.724 -7.410 -5.102 1.00 34.12 H new ATOM 0 HG SER A 2 11.536 -8.962 -3.583 1.00 1.11 H new ATOM 29 N ASN A 3 13.568 -6.417 -7.715 1.00 52.42 N ATOM 30 CA ASN A 3 14.859 -5.825 -8.046 1.00 24.42 C ATOM 31 C ASN A 3 14.866 -4.330 -7.746 1.00 12.45 C ATOM 32 O ASN A 3 14.846 -3.503 -8.657 1.00 31.43 O ATOM 33 CB ASN A 3 15.189 -6.062 -9.521 1.00 25.31 C ATOM 34 CG ASN A 3 15.356 -7.534 -9.847 1.00 53.11 C ATOM 35 OD1 ASN A 3 15.934 -8.292 -9.069 1.00 30.25 O ATOM 36 ND2 ASN A 3 14.848 -7.944 -11.004 1.00 22.55 N ATOM 0 H ASN A 3 12.766 -5.932 -8.118 1.00 52.42 H new ATOM 0 HA ASN A 3 15.619 -6.304 -7.429 1.00 24.42 H new ATOM 0 HB2 ASN A 3 14.395 -5.643 -10.140 1.00 25.31 H new ATOM 0 HB3 ASN A 3 16.106 -5.530 -9.775 1.00 25.31 H new ATOM 0 HD21 ASN A 3 14.929 -8.923 -11.278 1.00 22.55 H new ATOM 0 HD22 ASN A 3 14.377 -7.280 -11.618 1.00 22.55 H new ATOM 43 N ASN A 4 14.894 -3.990 -6.461 1.00 4.40 N ATOM 44 CA ASN A 4 14.904 -2.593 -6.040 1.00 34.30 C ATOM 45 C ASN A 4 16.247 -2.221 -5.419 1.00 72.24 C ATOM 46 O ASN A 4 16.346 -2.003 -4.213 1.00 31.23 O ATOM 47 CB ASN A 4 13.777 -2.334 -5.038 1.00 52.31 C ATOM 48 CG ASN A 4 12.419 -2.743 -5.576 1.00 2.30 C ATOM 49 OD1 ASN A 4 11.895 -3.801 -5.228 1.00 55.23 O ATOM 50 ND2 ASN A 4 11.844 -1.904 -6.429 1.00 52.34 N ATOM 0 H ASN A 4 14.910 -4.662 -5.694 1.00 4.40 H new ATOM 0 HA ASN A 4 14.748 -1.972 -6.922 1.00 34.30 H new ATOM 0 HB2 ASN A 4 13.980 -2.882 -4.118 1.00 52.31 H new ATOM 0 HB3 ASN A 4 13.759 -1.275 -4.781 1.00 52.31 H new ATOM 0 HD21 ASN A 4 10.930 -2.125 -6.825 1.00 52.34 H new ATOM 0 HD22 ASN A 4 12.316 -1.038 -6.689 1.00 52.34 H new ATOM 57 N GLY A 5 17.279 -2.150 -6.255 1.00 1.35 N ATOM 58 CA GLY A 5 18.602 -1.803 -5.770 1.00 65.31 C ATOM 59 C GLY A 5 19.625 -1.719 -6.886 1.00 73.22 C ATOM 60 O GLY A 5 19.360 -2.136 -8.013 1.00 54.30 O ATOM 0 H GLY A 5 17.222 -2.326 -7.258 1.00 1.35 H new ATOM 0 HA2 GLY A 5 18.556 -0.846 -5.251 1.00 65.31 H new ATOM 0 HA3 GLY A 5 18.925 -2.546 -5.041 1.00 65.31 H new ATOM 64 N GLY A 6 20.798 -1.177 -6.573 1.00 13.10 N ATOM 65 CA GLY A 6 21.845 -1.048 -7.569 1.00 51.53 C ATOM 66 C GLY A 6 23.110 -0.432 -7.005 1.00 14.34 C ATOM 67 O GLY A 6 23.655 0.512 -7.575 1.00 2.55 O ATOM 0 H GLY A 6 21.042 -0.825 -5.647 1.00 13.10 H new ATOM 0 HA2 GLY A 6 22.075 -2.031 -7.979 1.00 51.53 H new ATOM 0 HA3 GLY A 6 21.483 -0.435 -8.395 1.00 51.53 H new ATOM 71 N GLU A 7 23.575 -0.967 -5.880 1.00 45.52 N ATOM 72 CA GLU A 7 24.783 -0.461 -5.237 1.00 53.24 C ATOM 73 C GLU A 7 25.791 -1.584 -5.014 1.00 44.10 C ATOM 74 O GLU A 7 25.452 -2.767 -5.017 1.00 73.34 O ATOM 75 CB GLU A 7 24.437 0.202 -3.902 1.00 50.14 C ATOM 76 CG GLU A 7 24.107 1.680 -4.024 1.00 53.23 C ATOM 77 CD GLU A 7 22.675 1.992 -3.635 1.00 74.14 C ATOM 78 OE1 GLU A 7 22.194 1.420 -2.635 1.00 23.44 O ATOM 79 OE2 GLU A 7 22.034 2.807 -4.331 1.00 43.32 O ATOM 0 H GLU A 7 23.135 -1.749 -5.396 1.00 45.52 H new ATOM 0 HA GLU A 7 25.232 0.281 -5.897 1.00 53.24 H new ATOM 0 HB2 GLU A 7 23.587 -0.316 -3.458 1.00 50.14 H new ATOM 0 HB3 GLU A 7 25.277 0.081 -3.217 1.00 50.14 H new ATOM 0 HG2 GLU A 7 24.785 2.253 -3.391 1.00 53.23 H new ATOM 0 HG3 GLU A 7 24.279 2.003 -5.051 1.00 53.23 H new ATOM 86 N PRO A 8 27.063 -1.206 -4.816 1.00 11.34 N ATOM 87 CA PRO A 8 28.148 -2.165 -4.587 1.00 15.01 C ATOM 88 C PRO A 8 28.037 -2.852 -3.230 1.00 62.22 C ATOM 89 O PRO A 8 27.351 -2.366 -2.331 1.00 42.23 O ATOM 90 CB PRO A 8 29.407 -1.297 -4.646 1.00 10.01 C ATOM 91 CG PRO A 8 28.943 0.069 -4.273 1.00 65.12 C ATOM 92 CD PRO A 8 27.540 0.187 -4.799 1.00 15.44 C ATOM 0 HA PRO A 8 28.138 -2.974 -5.317 1.00 15.01 H new ATOM 0 HB2 PRO A 8 30.170 -1.658 -3.956 1.00 10.01 H new ATOM 0 HB3 PRO A 8 29.848 -1.307 -5.643 1.00 10.01 H new ATOM 0 HG2 PRO A 8 28.968 0.208 -3.192 1.00 65.12 H new ATOM 0 HG3 PRO A 8 29.588 0.833 -4.707 1.00 65.12 H new ATOM 0 HD2 PRO A 8 26.922 0.815 -4.158 1.00 15.44 H new ATOM 0 HD3 PRO A 8 27.520 0.631 -5.794 1.00 15.44 H new ATOM 100 N SER A 9 28.717 -3.985 -3.089 1.00 23.51 N ATOM 101 CA SER A 9 28.693 -4.741 -1.842 1.00 73.42 C ATOM 102 C SER A 9 29.906 -5.661 -1.740 1.00 41.33 C ATOM 103 O SER A 9 29.835 -6.738 -1.150 1.00 15.41 O ATOM 104 CB SER A 9 27.406 -5.564 -1.745 1.00 2.51 C ATOM 105 OG SER A 9 26.307 -4.857 -2.292 1.00 53.24 O ATOM 0 H SER A 9 29.291 -4.400 -3.823 1.00 23.51 H new ATOM 0 HA SER A 9 28.726 -4.031 -1.015 1.00 73.42 H new ATOM 0 HB2 SER A 9 27.534 -6.509 -2.273 1.00 2.51 H new ATOM 0 HB3 SER A 9 27.204 -5.807 -0.702 1.00 2.51 H new ATOM 0 HG SER A 9 25.497 -5.404 -2.220 1.00 53.24 H new ATOM 111 N ASN A 10 31.020 -5.226 -2.321 1.00 20.42 N ATOM 112 CA ASN A 10 32.250 -6.010 -2.297 1.00 10.35 C ATOM 113 C ASN A 10 33.260 -5.407 -1.324 1.00 74.23 C ATOM 114 O ASN A 10 33.155 -4.240 -0.949 1.00 33.42 O ATOM 115 CB ASN A 10 32.858 -6.086 -3.698 1.00 61.34 C ATOM 116 CG ASN A 10 33.763 -7.291 -3.871 1.00 74.22 C ATOM 117 OD1 ASN A 10 33.292 -8.410 -4.078 1.00 2.10 O ATOM 118 ND2 ASN A 10 35.069 -7.067 -3.787 1.00 32.23 N ATOM 0 H ASN A 10 31.096 -4.336 -2.814 1.00 20.42 H new ATOM 0 HA ASN A 10 32.004 -7.017 -1.960 1.00 10.35 H new ATOM 0 HB2 ASN A 10 32.058 -6.127 -4.437 1.00 61.34 H new ATOM 0 HB3 ASN A 10 33.426 -5.177 -3.894 1.00 61.34 H new ATOM 0 HD21 ASN A 10 35.727 -7.839 -3.895 1.00 32.23 H new ATOM 0 HD22 ASN A 10 35.414 -6.123 -3.614 1.00 32.23 H new ATOM 125 N ASN A 11 34.238 -6.212 -0.921 1.00 54.12 N ATOM 126 CA ASN A 11 35.267 -5.758 0.007 1.00 33.44 C ATOM 127 C ASN A 11 34.650 -5.325 1.334 1.00 72.31 C ATOM 128 O ASN A 11 33.438 -5.417 1.526 1.00 1.52 O ATOM 129 CB ASN A 11 36.058 -4.600 -0.602 1.00 42.42 C ATOM 130 CG ASN A 11 37.554 -4.759 -0.414 1.00 25.13 C ATOM 131 OD1 ASN A 11 38.021 -5.103 0.672 1.00 3.13 O ATOM 132 ND2 ASN A 11 38.314 -4.509 -1.474 1.00 2.13 N ATOM 0 H ASN A 11 34.339 -7.181 -1.222 1.00 54.12 H new ATOM 0 HA ASN A 11 35.944 -6.591 0.196 1.00 33.44 H new ATOM 0 HB2 ASN A 11 35.834 -4.531 -1.666 1.00 42.42 H new ATOM 0 HB3 ASN A 11 35.735 -3.664 -0.147 1.00 42.42 H new ATOM 0 HD21 ASN A 11 39.328 -4.600 -1.407 1.00 2.13 H new ATOM 0 HD22 ASN A 11 37.884 -4.226 -2.355 1.00 2.13 H new ATOM 139 N GLY A 12 35.493 -4.853 2.247 1.00 45.24 N ATOM 140 CA GLY A 12 35.013 -4.412 3.543 1.00 21.12 C ATOM 141 C GLY A 12 35.474 -5.315 4.670 1.00 71.42 C ATOM 142 O GLY A 12 35.859 -4.841 5.738 1.00 53.24 O ATOM 0 H GLY A 12 36.500 -4.768 2.112 1.00 45.24 H new ATOM 0 HA2 GLY A 12 35.362 -3.396 3.730 1.00 21.12 H new ATOM 0 HA3 GLY A 12 33.924 -4.378 3.531 1.00 21.12 H new ATOM 146 N GLY A 13 35.433 -6.623 4.432 1.00 23.14 N ATOM 147 CA GLY A 13 35.851 -7.574 5.446 1.00 70.33 C ATOM 148 C GLY A 13 37.359 -7.671 5.564 1.00 61.14 C ATOM 149 O GLY A 13 37.958 -7.069 6.454 1.00 52.41 O ATOM 0 H GLY A 13 35.118 -7.040 3.556 1.00 23.14 H new ATOM 0 HA2 GLY A 13 35.433 -7.281 6.409 1.00 70.33 H new ATOM 0 HA3 GLY A 13 35.444 -8.557 5.207 1.00 70.33 H new ATOM 153 N GLU A 14 37.974 -8.433 4.664 1.00 11.21 N ATOM 154 CA GLU A 14 39.421 -8.608 4.674 1.00 45.11 C ATOM 155 C GLU A 14 39.881 -9.266 5.972 1.00 42.32 C ATOM 156 O GLU A 14 39.092 -9.461 6.895 1.00 0.32 O ATOM 157 CB GLU A 14 40.122 -7.259 4.497 1.00 72.00 C ATOM 158 CG GLU A 14 40.574 -6.990 3.071 1.00 31.35 C ATOM 159 CD GLU A 14 41.884 -7.677 2.736 1.00 55.15 C ATOM 160 OE1 GLU A 14 42.949 -7.126 3.082 1.00 10.13 O ATOM 161 OE2 GLU A 14 41.842 -8.766 2.126 1.00 62.03 O ATOM 0 H GLU A 14 37.493 -8.938 3.920 1.00 11.21 H new ATOM 0 HA GLU A 14 39.688 -9.260 3.842 1.00 45.11 H new ATOM 0 HB2 GLU A 14 39.446 -6.464 4.811 1.00 72.00 H new ATOM 0 HB3 GLU A 14 40.988 -7.220 5.157 1.00 72.00 H new ATOM 0 HG2 GLU A 14 39.803 -7.329 2.379 1.00 31.35 H new ATOM 0 HG3 GLU A 14 40.684 -5.915 2.925 1.00 31.35 H new ATOM 168 N GLY A 15 41.165 -9.606 6.034 1.00 61.35 N ATOM 169 CA GLY A 15 41.708 -10.239 7.221 1.00 24.21 C ATOM 170 C GLY A 15 43.200 -10.011 7.369 1.00 73.53 C ATOM 171 O GLY A 15 44.005 -10.721 6.767 1.00 22.45 O ATOM 0 H GLY A 15 41.838 -9.454 5.283 1.00 61.35 H new ATOM 0 HA2 GLY A 15 41.195 -9.852 8.102 1.00 24.21 H new ATOM 0 HA3 GLY A 15 41.509 -11.310 7.181 1.00 24.21 H new ATOM 175 N ALA A 16 43.568 -9.017 8.170 1.00 65.23 N ATOM 176 CA ALA A 16 44.973 -8.698 8.394 1.00 31.04 C ATOM 177 C ALA A 16 45.314 -8.738 9.880 1.00 20.01 C ATOM 178 O ALA A 16 44.425 -8.790 10.729 1.00 75.02 O ATOM 179 CB ALA A 16 45.303 -7.332 7.812 1.00 65.04 C ATOM 0 H ALA A 16 42.914 -8.419 8.674 1.00 65.23 H new ATOM 0 HA ALA A 16 45.577 -9.452 7.888 1.00 31.04 H new ATOM 0 HB1 ALA A 16 46.355 -7.107 7.986 1.00 65.04 H new ATOM 0 HB2 ALA A 16 45.106 -7.336 6.740 1.00 65.04 H new ATOM 0 HB3 ALA A 16 44.685 -6.573 8.292 1.00 65.04 H new ATOM 185 N GLU A 17 46.607 -8.714 10.187 1.00 64.14 N ATOM 186 CA GLU A 17 47.065 -8.749 11.571 1.00 75.32 C ATOM 187 C GLU A 17 46.626 -10.041 12.256 1.00 43.52 C ATOM 188 O GLU A 17 45.853 -10.820 11.700 1.00 43.41 O ATOM 189 CB GLU A 17 46.525 -7.542 12.340 1.00 35.14 C ATOM 190 CG GLU A 17 47.587 -6.508 12.674 1.00 31.44 C ATOM 191 CD GLU A 17 47.149 -5.555 13.769 1.00 3.14 C ATOM 192 OE1 GLU A 17 46.485 -6.012 14.723 1.00 21.50 O ATOM 193 OE2 GLU A 17 47.470 -4.352 13.673 1.00 63.22 O ATOM 0 H GLU A 17 47.356 -8.670 9.496 1.00 64.14 H new ATOM 0 HA GLU A 17 48.154 -8.711 11.568 1.00 75.32 H new ATOM 0 HB2 GLU A 17 45.741 -7.067 11.750 1.00 35.14 H new ATOM 0 HB3 GLU A 17 46.063 -7.888 13.265 1.00 35.14 H new ATOM 0 HG2 GLU A 17 48.500 -7.017 12.984 1.00 31.44 H new ATOM 0 HG3 GLU A 17 47.829 -5.938 11.777 1.00 31.44 H new ATOM 200 N GLY A 18 47.127 -10.260 13.468 1.00 62.22 N ATOM 201 CA GLY A 18 46.777 -11.458 14.209 1.00 4.22 C ATOM 202 C GLY A 18 46.707 -11.215 15.704 1.00 51.43 C ATOM 203 O GLY A 18 46.480 -10.089 16.148 1.00 53.42 O ATOM 0 H GLY A 18 47.768 -9.630 13.950 1.00 62.22 H new ATOM 0 HA2 GLY A 18 45.814 -11.830 13.859 1.00 4.22 H new ATOM 0 HA3 GLY A 18 47.513 -12.236 14.004 1.00 4.22 H new ATOM 207 N THR A 19 46.901 -12.274 16.484 1.00 54.51 N ATOM 208 CA THR A 19 46.855 -12.171 17.937 1.00 41.20 C ATOM 209 C THR A 19 48.180 -11.663 18.494 1.00 0.00 C ATOM 210 O THR A 19 49.181 -12.381 18.492 1.00 40.53 O ATOM 211 CB THR A 19 46.525 -13.528 18.586 1.00 72.20 C ATOM 212 OG1 THR A 19 45.488 -14.185 17.848 1.00 11.42 O ATOM 213 CG2 THR A 19 46.088 -13.345 20.031 1.00 15.34 C ATOM 0 H THR A 19 47.091 -13.213 16.133 1.00 54.51 H new ATOM 0 HA THR A 19 46.065 -11.459 18.179 1.00 41.20 H new ATOM 0 HB THR A 19 47.426 -14.142 18.571 1.00 72.20 H new ATOM 0 HG1 THR A 19 45.285 -15.048 18.266 1.00 11.42 H new ATOM 0 HG21 THR A 19 45.860 -14.317 20.468 1.00 15.34 H new ATOM 0 HG22 THR A 19 46.891 -12.872 20.597 1.00 15.34 H new ATOM 0 HG23 THR A 19 45.199 -12.715 20.065 1.00 15.34 H new ATOM 221 N CYS A 20 48.179 -10.423 18.971 1.00 24.31 N ATOM 222 CA CYS A 20 49.383 -9.819 19.532 1.00 72.21 C ATOM 223 C CYS A 20 49.028 -8.799 20.608 1.00 12.24 C ATOM 224 O CYS A 20 48.609 -7.681 20.306 1.00 21.12 O ATOM 225 CB CYS A 20 50.204 -9.150 18.429 1.00 63.30 C ATOM 226 SG CYS A 20 51.980 -9.087 18.766 1.00 15.54 S ATOM 0 H CYS A 20 47.359 -9.817 18.981 1.00 24.31 H new ATOM 0 HA CYS A 20 49.978 -10.610 19.989 1.00 72.21 H new ATOM 0 HB2 CYS A 20 50.041 -9.686 17.494 1.00 63.30 H new ATOM 0 HB3 CYS A 20 49.837 -8.134 18.283 1.00 63.30 H new ATOM 0 HG CYS A 20 52.589 -8.506 17.776 1.00 15.54 H new ATOM 232 N LYS A 21 49.196 -9.191 21.867 1.00 63.13 N ATOM 233 CA LYS A 21 48.894 -8.312 22.990 1.00 52.22 C ATOM 234 C LYS A 21 50.155 -7.994 23.787 1.00 51.43 C ATOM 235 O LYS A 21 51.012 -8.855 23.978 1.00 63.20 O ATOM 236 CB LYS A 21 47.850 -8.958 23.903 1.00 31.23 C ATOM 237 CG LYS A 21 48.350 -10.205 24.612 1.00 4.22 C ATOM 238 CD LYS A 21 47.250 -10.862 25.429 1.00 41.42 C ATOM 239 CE LYS A 21 47.805 -11.528 26.678 1.00 5.23 C ATOM 240 NZ LYS A 21 47.177 -12.855 26.925 1.00 30.02 N ATOM 0 H LYS A 21 49.540 -10.113 22.135 1.00 63.13 H new ATOM 0 HA LYS A 21 48.493 -7.380 22.592 1.00 52.22 H new ATOM 0 HB2 LYS A 21 47.531 -8.230 24.649 1.00 31.23 H new ATOM 0 HB3 LYS A 21 46.971 -9.214 23.311 1.00 31.23 H new ATOM 0 HG2 LYS A 21 48.731 -10.914 23.877 1.00 4.22 H new ATOM 0 HG3 LYS A 21 49.183 -9.944 25.265 1.00 4.22 H new ATOM 0 HD2 LYS A 21 46.510 -10.114 25.713 1.00 41.42 H new ATOM 0 HD3 LYS A 21 46.735 -11.604 24.818 1.00 41.42 H new ATOM 0 HE2 LYS A 21 48.883 -11.650 26.576 1.00 5.23 H new ATOM 0 HE3 LYS A 21 47.638 -10.881 27.539 1.00 5.23 H new ATOM 0 HZ1 LYS A 21 47.582 -13.276 27.785 1.00 30.02 H new ATOM 0 HZ2 LYS A 21 46.151 -12.736 27.048 1.00 30.02 H new ATOM 0 HZ3 LYS A 21 47.358 -13.481 26.115 1.00 30.02 H new ATOM 254 N GLU A 22 50.259 -6.752 24.250 1.00 44.12 N ATOM 255 CA GLU A 22 51.416 -6.322 25.027 1.00 40.13 C ATOM 256 C GLU A 22 51.115 -5.030 25.782 1.00 73.43 C ATOM 257 O GLU A 22 50.652 -4.052 25.197 1.00 50.31 O ATOM 258 CB GLU A 22 52.626 -6.121 24.112 1.00 2.43 C ATOM 259 CG GLU A 22 53.865 -5.630 24.842 1.00 44.31 C ATOM 260 CD GLU A 22 55.132 -6.316 24.368 1.00 33.20 C ATOM 261 OE1 GLU A 22 55.436 -7.415 24.877 1.00 32.50 O ATOM 262 OE2 GLU A 22 55.818 -5.755 23.489 1.00 4.22 O ATOM 0 H GLU A 22 49.557 -6.027 24.101 1.00 44.12 H new ATOM 0 HA GLU A 22 51.644 -7.102 25.753 1.00 40.13 H new ATOM 0 HB2 GLU A 22 52.856 -7.064 23.616 1.00 2.43 H new ATOM 0 HB3 GLU A 22 52.366 -5.405 23.332 1.00 2.43 H new ATOM 0 HG2 GLU A 22 53.964 -4.554 24.699 1.00 44.31 H new ATOM 0 HG3 GLU A 22 53.743 -5.800 25.912 1.00 44.31 H new ATOM 269 N GLU A 23 51.381 -5.037 27.084 1.00 35.52 N ATOM 270 CA GLU A 23 51.136 -3.867 27.919 1.00 24.33 C ATOM 271 C GLU A 23 49.651 -3.520 27.948 1.00 52.52 C ATOM 272 O GLU A 23 48.820 -4.245 27.399 1.00 4.12 O ATOM 273 CB GLU A 23 51.942 -2.671 27.408 1.00 73.14 C ATOM 274 CG GLU A 23 52.880 -2.080 28.446 1.00 23.11 C ATOM 275 CD GLU A 23 54.338 -2.381 28.154 1.00 55.54 C ATOM 276 OE1 GLU A 23 54.944 -1.649 27.343 1.00 13.14 O ATOM 277 OE2 GLU A 23 54.872 -3.348 28.736 1.00 54.22 O ATOM 0 H GLU A 23 51.766 -5.839 27.583 1.00 35.52 H new ATOM 0 HA GLU A 23 51.455 -4.103 28.934 1.00 24.33 H new ATOM 0 HB2 GLU A 23 52.524 -2.980 26.540 1.00 73.14 H new ATOM 0 HB3 GLU A 23 51.253 -1.897 27.071 1.00 73.14 H new ATOM 0 HG2 GLU A 23 52.737 -1.000 28.487 1.00 23.11 H new ATOM 0 HG3 GLU A 23 52.622 -2.473 29.429 1.00 23.11 H new ATOM 284 N THR A 24 49.322 -2.404 28.592 1.00 23.14 N ATOM 285 CA THR A 24 47.938 -1.960 28.695 1.00 60.02 C ATOM 286 C THR A 24 47.699 -0.708 27.858 1.00 33.51 C ATOM 287 O THR A 24 48.644 -0.043 27.435 1.00 34.04 O ATOM 288 CB THR A 24 47.548 -1.669 30.156 1.00 2.13 C ATOM 289 OG1 THR A 24 48.401 -0.654 30.698 1.00 20.21 O ATOM 290 CG2 THR A 24 47.648 -2.928 31.004 1.00 31.11 C ATOM 0 H THR A 24 49.996 -1.791 29.050 1.00 23.14 H new ATOM 0 HA THR A 24 47.317 -2.772 28.316 1.00 60.02 H new ATOM 0 HB THR A 24 46.515 -1.321 30.171 1.00 2.13 H new ATOM 0 HG1 THR A 24 48.145 -0.474 31.627 1.00 20.21 H new ATOM 0 HG21 THR A 24 47.368 -2.698 32.032 1.00 31.11 H new ATOM 0 HG22 THR A 24 46.976 -3.689 30.607 1.00 31.11 H new ATOM 0 HG23 THR A 24 48.672 -3.301 30.982 1.00 31.11 H new ATOM 298 N ALA A 25 46.429 -0.393 27.623 1.00 22.21 N ATOM 299 CA ALA A 25 46.066 0.781 26.839 1.00 61.40 C ATOM 300 C ALA A 25 44.700 1.317 27.253 1.00 21.35 C ATOM 301 O ALA A 25 43.893 0.598 27.845 1.00 3.33 O ATOM 302 CB ALA A 25 46.076 0.447 25.354 1.00 2.34 C ATOM 0 H ALA A 25 45.635 -0.934 27.964 1.00 22.21 H new ATOM 0 HA ALA A 25 46.805 1.559 27.031 1.00 61.40 H new ATOM 0 HB1 ALA A 25 45.803 1.333 24.780 1.00 2.34 H new ATOM 0 HB2 ALA A 25 47.073 0.118 25.062 1.00 2.34 H new ATOM 0 HB3 ALA A 25 45.359 -0.349 25.155 1.00 2.34 H new ATOM 308 N LEU A 26 44.447 2.582 26.940 1.00 14.52 N ATOM 309 CA LEU A 26 43.177 3.216 27.281 1.00 63.41 C ATOM 310 C LEU A 26 42.691 4.107 26.143 1.00 75.13 C ATOM 311 O LEU A 26 43.309 5.124 25.828 1.00 23.41 O ATOM 312 CB LEU A 26 43.323 4.039 28.562 1.00 61.21 C ATOM 313 CG LEU A 26 44.281 3.479 29.614 1.00 32.12 C ATOM 314 CD1 LEU A 26 45.674 4.059 29.430 1.00 5.11 C ATOM 315 CD2 LEU A 26 43.762 3.768 31.015 1.00 33.42 C ATOM 0 H LEU A 26 45.104 3.190 26.451 1.00 14.52 H new ATOM 0 HA LEU A 26 42.439 2.431 27.444 1.00 63.41 H new ATOM 0 HB2 LEU A 26 43.658 5.040 28.291 1.00 61.21 H new ATOM 0 HB3 LEU A 26 42.338 4.145 29.016 1.00 61.21 H new ATOM 0 HG LEU A 26 44.340 2.398 29.485 1.00 32.12 H new ATOM 0 HD11 LEU A 26 46.342 3.649 30.188 1.00 5.11 H new ATOM 0 HD12 LEU A 26 46.048 3.801 28.439 1.00 5.11 H new ATOM 0 HD13 LEU A 26 45.633 5.144 29.531 1.00 5.11 H new ATOM 0 HD21 LEU A 26 44.456 3.362 31.751 1.00 33.42 H new ATOM 0 HD22 LEU A 26 43.673 4.845 31.155 1.00 33.42 H new ATOM 0 HD23 LEU A 26 42.784 3.304 31.144 1.00 33.42 H new ATOM 327 N VAL A 27 41.576 3.720 25.530 1.00 64.33 N ATOM 328 CA VAL A 27 41.004 4.485 24.429 1.00 40.13 C ATOM 329 C VAL A 27 39.481 4.427 24.452 1.00 32.31 C ATOM 330 O VAL A 27 38.894 3.382 24.731 1.00 72.44 O ATOM 331 CB VAL A 27 41.506 3.970 23.067 1.00 73.24 C ATOM 332 CG1 VAL A 27 43.014 3.777 23.091 1.00 43.40 C ATOM 333 CG2 VAL A 27 40.801 2.674 22.695 1.00 14.10 C ATOM 0 H VAL A 27 41.051 2.881 25.778 1.00 64.33 H new ATOM 0 HA VAL A 27 41.327 5.518 24.560 1.00 40.13 H new ATOM 0 HB VAL A 27 41.271 4.716 22.308 1.00 73.24 H new ATOM 0 HG11 VAL A 27 43.350 3.413 22.120 1.00 43.40 H new ATOM 0 HG12 VAL A 27 43.499 4.728 23.309 1.00 43.40 H new ATOM 0 HG13 VAL A 27 43.276 3.051 23.861 1.00 43.40 H new ATOM 0 HG21 VAL A 27 41.168 2.324 21.730 1.00 14.10 H new ATOM 0 HG22 VAL A 27 41.003 1.919 23.455 1.00 14.10 H new ATOM 0 HG23 VAL A 27 39.727 2.849 22.633 1.00 14.10 H new ATOM 343 N ALA A 28 38.846 5.557 24.157 1.00 22.43 N ATOM 344 CA ALA A 28 37.391 5.634 24.142 1.00 73.40 C ATOM 345 C ALA A 28 36.848 5.486 22.724 1.00 1.55 C ATOM 346 O ALA A 28 37.397 6.050 21.777 1.00 14.13 O ATOM 347 CB ALA A 28 36.925 6.947 24.754 1.00 63.33 C ATOM 0 H ALA A 28 39.317 6.432 23.925 1.00 22.43 H new ATOM 0 HA ALA A 28 37.002 4.810 24.740 1.00 73.40 H new ATOM 0 HB1 ALA A 28 35.836 6.991 24.736 1.00 63.33 H new ATOM 0 HB2 ALA A 28 37.274 7.012 25.785 1.00 63.33 H new ATOM 0 HB3 ALA A 28 37.331 7.780 24.180 1.00 63.33 H new ATOM 353 N VAL A 29 35.768 4.725 22.585 1.00 34.24 N ATOM 354 CA VAL A 29 35.150 4.504 21.283 1.00 25.21 C ATOM 355 C VAL A 29 33.656 4.802 21.325 1.00 1.34 C ATOM 356 O VAL A 29 32.966 4.442 22.280 1.00 42.45 O ATOM 357 CB VAL A 29 35.360 3.056 20.801 1.00 2.10 C ATOM 358 CG1 VAL A 29 34.967 2.918 19.338 1.00 2.01 C ATOM 359 CG2 VAL A 29 36.804 2.627 21.017 1.00 54.04 C ATOM 0 H VAL A 29 35.302 4.251 23.359 1.00 34.24 H new ATOM 0 HA VAL A 29 35.633 5.186 20.584 1.00 25.21 H new ATOM 0 HB VAL A 29 34.718 2.399 21.388 1.00 2.10 H new ATOM 0 HG11 VAL A 29 35.122 1.889 19.015 1.00 2.01 H new ATOM 0 HG12 VAL A 29 33.916 3.182 19.217 1.00 2.01 H new ATOM 0 HG13 VAL A 29 35.581 3.585 18.732 1.00 2.01 H new ATOM 0 HG21 VAL A 29 36.935 1.602 20.671 1.00 54.04 H new ATOM 0 HG22 VAL A 29 37.467 3.286 20.457 1.00 54.04 H new ATOM 0 HG23 VAL A 29 37.046 2.685 22.078 1.00 54.04 H new ATOM 369 N LYS A 30 33.161 5.463 20.284 1.00 34.33 N ATOM 370 CA LYS A 30 31.747 5.809 20.200 1.00 52.23 C ATOM 371 C LYS A 30 31.128 5.262 18.918 1.00 61.54 C ATOM 372 O LYS A 30 31.545 5.615 17.815 1.00 43.53 O ATOM 373 CB LYS A 30 31.569 7.328 20.256 1.00 14.13 C ATOM 374 CG LYS A 30 30.129 7.779 20.076 1.00 64.35 C ATOM 375 CD LYS A 30 29.889 9.143 20.701 1.00 64.41 C ATOM 376 CE LYS A 30 29.998 10.256 19.670 1.00 61.52 C ATOM 377 NZ LYS A 30 31.364 10.848 19.636 1.00 53.54 N ATOM 0 H LYS A 30 33.718 5.770 19.487 1.00 34.33 H new ATOM 0 HA LYS A 30 31.237 5.357 21.051 1.00 52.23 H new ATOM 0 HB2 LYS A 30 31.938 7.694 21.214 1.00 14.13 H new ATOM 0 HB3 LYS A 30 32.184 7.786 19.481 1.00 14.13 H new ATOM 0 HG2 LYS A 30 29.889 7.817 19.013 1.00 64.35 H new ATOM 0 HG3 LYS A 30 29.459 7.048 20.528 1.00 64.35 H new ATOM 0 HD2 LYS A 30 28.900 9.166 21.159 1.00 64.41 H new ATOM 0 HD3 LYS A 30 30.613 9.312 21.498 1.00 64.41 H new ATOM 0 HE2 LYS A 30 29.747 9.864 18.684 1.00 61.52 H new ATOM 0 HE3 LYS A 30 29.270 11.035 19.898 1.00 61.52 H new ATOM 0 HZ1 LYS A 30 31.398 11.603 18.921 1.00 53.54 H new ATOM 0 HZ2 LYS A 30 31.594 11.245 20.569 1.00 53.54 H new ATOM 0 HZ3 LYS A 30 32.056 10.110 19.394 1.00 53.54 H new ATOM 391 N VAL A 31 30.130 4.397 19.070 1.00 52.12 N ATOM 392 CA VAL A 31 29.452 3.803 17.924 1.00 72.20 C ATOM 393 C VAL A 31 28.079 4.431 17.711 1.00 42.21 C ATOM 394 O VAL A 31 27.198 4.328 18.564 1.00 10.14 O ATOM 395 CB VAL A 31 29.286 2.281 18.097 1.00 44.21 C ATOM 396 CG1 VAL A 31 28.609 1.965 19.422 1.00 63.33 C ATOM 397 CG2 VAL A 31 28.500 1.696 16.934 1.00 64.44 C ATOM 0 H VAL A 31 29.773 4.092 19.976 1.00 52.12 H new ATOM 0 HA VAL A 31 30.076 3.997 17.052 1.00 72.20 H new ATOM 0 HB VAL A 31 30.275 1.823 18.104 1.00 44.21 H new ATOM 0 HG11 VAL A 31 28.500 0.886 19.527 1.00 63.33 H new ATOM 0 HG12 VAL A 31 29.216 2.350 20.242 1.00 63.33 H new ATOM 0 HG13 VAL A 31 27.625 2.433 19.449 1.00 63.33 H new ATOM 0 HG21 VAL A 31 28.392 0.620 17.072 1.00 64.44 H new ATOM 0 HG22 VAL A 31 27.513 2.157 16.893 1.00 64.44 H new ATOM 0 HG23 VAL A 31 29.030 1.891 16.002 1.00 64.44 H new ATOM 407 N VAL A 32 27.904 5.083 16.566 1.00 60.34 N ATOM 408 CA VAL A 32 26.638 5.727 16.239 1.00 53.14 C ATOM 409 C VAL A 32 25.919 4.988 15.115 1.00 11.15 C ATOM 410 O VAL A 32 26.551 4.354 14.272 1.00 22.21 O ATOM 411 CB VAL A 32 26.846 7.195 15.821 1.00 22.02 C ATOM 412 CG1 VAL A 32 25.510 7.910 15.698 1.00 55.23 C ATOM 413 CG2 VAL A 32 27.752 7.907 16.815 1.00 54.44 C ATOM 0 H VAL A 32 28.623 5.179 15.849 1.00 60.34 H new ATOM 0 HA VAL A 32 26.026 5.696 17.140 1.00 53.14 H new ATOM 0 HB VAL A 32 27.330 7.212 14.845 1.00 22.02 H new ATOM 0 HG11 VAL A 32 25.677 8.946 15.402 1.00 55.23 H new ATOM 0 HG12 VAL A 32 24.899 7.412 14.946 1.00 55.23 H new ATOM 0 HG13 VAL A 32 24.995 7.886 16.658 1.00 55.23 H new ATOM 0 HG21 VAL A 32 27.889 8.943 16.505 1.00 54.44 H new ATOM 0 HG22 VAL A 32 27.297 7.881 17.805 1.00 54.44 H new ATOM 0 HG23 VAL A 32 28.720 7.407 16.848 1.00 54.44 H new ATOM 423 N ASN A 33 24.593 5.075 15.111 1.00 13.30 N ATOM 424 CA ASN A 33 23.787 4.414 14.091 1.00 53.51 C ATOM 425 C ASN A 33 23.112 5.438 13.183 1.00 0.30 C ATOM 426 O ASN A 33 22.851 6.569 13.592 1.00 1.12 O ATOM 427 CB ASN A 33 22.730 3.522 14.745 1.00 22.12 C ATOM 428 CG ASN A 33 23.308 2.210 15.240 1.00 72.20 C ATOM 429 OD1 ASN A 33 24.458 2.150 15.676 1.00 54.13 O ATOM 430 ND2 ASN A 33 22.510 1.150 15.174 1.00 10.34 N ATOM 0 H ASN A 33 24.054 5.596 15.802 1.00 13.30 H new ATOM 0 HA ASN A 33 24.449 3.797 13.484 1.00 53.51 H new ATOM 0 HB2 ASN A 33 22.276 4.054 15.581 1.00 22.12 H new ATOM 0 HB3 ASN A 33 21.936 3.318 14.027 1.00 22.12 H new ATOM 0 HD21 ASN A 33 22.843 0.240 15.492 1.00 10.34 H new ATOM 0 HD22 ASN A 33 21.564 1.246 14.805 1.00 10.34 H new ATOM 437 N ALA A 34 22.832 5.033 11.949 1.00 60.23 N ATOM 438 CA ALA A 34 22.186 5.913 10.984 1.00 55.33 C ATOM 439 C ALA A 34 20.850 6.424 11.515 1.00 64.12 C ATOM 440 O ALA A 34 20.364 7.473 11.093 1.00 40.23 O ATOM 441 CB ALA A 34 21.987 5.190 9.660 1.00 43.33 C ATOM 0 H ALA A 34 23.043 4.100 11.594 1.00 60.23 H new ATOM 0 HA ALA A 34 22.836 6.773 10.822 1.00 55.33 H new ATOM 0 HB1 ALA A 34 21.503 5.860 8.949 1.00 43.33 H new ATOM 0 HB2 ALA A 34 22.955 4.880 9.266 1.00 43.33 H new ATOM 0 HB3 ALA A 34 21.360 4.312 9.816 1.00 43.33 H new ATOM 447 N ASP A 35 20.263 5.676 12.442 1.00 74.54 N ATOM 448 CA ASP A 35 18.983 6.053 13.031 1.00 61.02 C ATOM 449 C ASP A 35 19.175 7.106 14.117 1.00 11.44 C ATOM 450 O ASP A 35 18.265 7.879 14.415 1.00 72.13 O ATOM 451 CB ASP A 35 18.283 4.824 13.612 1.00 31.15 C ATOM 452 CG ASP A 35 18.104 3.721 12.588 1.00 33.31 C ATOM 453 OD1 ASP A 35 19.059 2.943 12.381 1.00 54.42 O ATOM 454 OD2 ASP A 35 17.009 3.635 11.993 1.00 11.20 O ATOM 0 H ASP A 35 20.653 4.805 12.802 1.00 74.54 H new ATOM 0 HA ASP A 35 18.359 6.478 12.244 1.00 61.02 H new ATOM 0 HB2 ASP A 35 18.862 4.444 14.454 1.00 31.15 H new ATOM 0 HB3 ASP A 35 17.308 5.115 14.002 1.00 31.15 H new ATOM 459 N GLY A 36 20.366 7.130 14.708 1.00 50.30 N ATOM 460 CA GLY A 36 20.655 8.092 15.756 1.00 61.31 C ATOM 461 C GLY A 36 21.220 7.439 17.002 1.00 73.20 C ATOM 462 O GLY A 36 22.035 8.032 17.707 1.00 44.54 O ATOM 0 H GLY A 36 21.136 6.501 14.480 1.00 50.30 H new ATOM 0 HA2 GLY A 36 21.365 8.830 15.382 1.00 61.31 H new ATOM 0 HA3 GLY A 36 19.742 8.630 16.013 1.00 61.31 H new ATOM 466 N ALA A 37 20.784 6.214 17.275 1.00 34.55 N ATOM 467 CA ALA A 37 21.251 5.480 18.445 1.00 61.42 C ATOM 468 C ALA A 37 22.775 5.443 18.497 1.00 14.11 C ATOM 469 O ALA A 37 23.419 4.830 17.647 1.00 72.31 O ATOM 470 CB ALA A 37 20.687 4.066 18.441 1.00 1.42 C ATOM 0 H ALA A 37 20.108 5.709 16.702 1.00 34.55 H new ATOM 0 HA ALA A 37 20.895 5.999 19.335 1.00 61.42 H new ATOM 0 HB1 ALA A 37 21.044 3.529 19.320 1.00 1.42 H new ATOM 0 HB2 ALA A 37 19.598 4.109 18.459 1.00 1.42 H new ATOM 0 HB3 ALA A 37 21.015 3.546 17.541 1.00 1.42 H new ATOM 476 N GLU A 38 23.344 6.104 19.500 1.00 11.40 N ATOM 477 CA GLU A 38 24.793 6.148 19.661 1.00 75.13 C ATOM 478 C GLU A 38 25.189 5.853 21.105 1.00 52.43 C ATOM 479 O GLU A 38 24.479 6.219 22.041 1.00 73.31 O ATOM 480 CB GLU A 38 25.334 7.516 19.241 1.00 53.12 C ATOM 481 CG GLU A 38 24.876 8.653 20.139 1.00 43.34 C ATOM 482 CD GLU A 38 24.000 9.655 19.411 1.00 22.33 C ATOM 483 OE1 GLU A 38 24.382 10.082 18.302 1.00 73.23 O ATOM 484 OE2 GLU A 38 22.932 10.011 19.952 1.00 24.13 O ATOM 0 H GLU A 38 22.824 6.616 20.213 1.00 11.40 H new ATOM 0 HA GLU A 38 25.228 5.381 19.019 1.00 75.13 H new ATOM 0 HB2 GLU A 38 26.423 7.482 19.239 1.00 53.12 H new ATOM 0 HB3 GLU A 38 25.020 7.723 18.218 1.00 53.12 H new ATOM 0 HG2 GLU A 38 24.326 8.243 20.986 1.00 43.34 H new ATOM 0 HG3 GLU A 38 25.749 9.166 20.544 1.00 43.34 H new ATOM 491 N MET A 39 26.327 5.190 21.276 1.00 65.31 N ATOM 492 CA MET A 39 26.819 4.846 22.605 1.00 11.43 C ATOM 493 C MET A 39 28.342 4.773 22.620 1.00 45.34 C ATOM 494 O MET A 39 28.950 4.105 21.782 1.00 14.15 O ATOM 495 CB MET A 39 26.228 3.511 23.061 1.00 23.15 C ATOM 496 CG MET A 39 26.677 2.328 22.219 1.00 42.24 C ATOM 497 SD MET A 39 25.685 0.851 22.510 1.00 3.03 S ATOM 498 CE MET A 39 26.966 -0.358 22.838 1.00 41.54 C ATOM 0 H MET A 39 26.926 4.880 20.511 1.00 65.31 H new ATOM 0 HA MET A 39 26.505 5.629 23.295 1.00 11.43 H new ATOM 0 HB2 MET A 39 26.509 3.335 24.099 1.00 23.15 H new ATOM 0 HB3 MET A 39 25.140 3.576 23.031 1.00 23.15 H new ATOM 0 HG2 MET A 39 26.621 2.596 21.164 1.00 42.24 H new ATOM 0 HG3 MET A 39 27.722 2.108 22.437 1.00 42.24 H new ATOM 0 HE1 MET A 39 26.509 -1.327 23.037 1.00 41.54 H new ATOM 0 HE2 MET A 39 27.622 -0.437 21.971 1.00 41.54 H new ATOM 0 HE3 MET A 39 27.547 -0.046 23.705 1.00 41.54 H new ATOM 508 N PHE A 40 28.955 5.465 23.575 1.00 33.42 N ATOM 509 CA PHE A 40 30.408 5.479 23.697 1.00 33.22 C ATOM 510 C PHE A 40 30.844 4.951 25.061 1.00 62.03 C ATOM 511 O PHE A 40 30.105 5.045 26.041 1.00 43.20 O ATOM 512 CB PHE A 40 30.944 6.897 23.491 1.00 22.20 C ATOM 513 CG PHE A 40 30.679 7.813 24.651 1.00 32.24 C ATOM 514 CD1 PHE A 40 29.413 8.335 24.863 1.00 0.22 C ATOM 515 CD2 PHE A 40 31.695 8.151 25.531 1.00 73.12 C ATOM 516 CE1 PHE A 40 29.166 9.179 25.930 1.00 64.13 C ATOM 517 CE2 PHE A 40 31.454 8.994 26.599 1.00 31.25 C ATOM 518 CZ PHE A 40 30.188 9.508 26.800 1.00 73.44 C ATOM 0 H PHE A 40 28.468 6.024 24.276 1.00 33.42 H new ATOM 0 HA PHE A 40 30.819 4.827 22.926 1.00 33.22 H new ATOM 0 HB2 PHE A 40 32.019 6.848 23.315 1.00 22.20 H new ATOM 0 HB3 PHE A 40 30.493 7.320 22.594 1.00 22.20 H new ATOM 0 HD1 PHE A 40 28.610 8.080 24.187 1.00 0.22 H new ATOM 0 HD2 PHE A 40 32.687 7.751 25.380 1.00 73.12 H new ATOM 0 HE1 PHE A 40 28.175 9.581 26.083 1.00 64.13 H new ATOM 0 HE2 PHE A 40 32.255 9.251 27.276 1.00 31.25 H new ATOM 0 HZ PHE A 40 29.997 10.166 27.635 1.00 73.44 H new ATOM 528 N PHE A 41 32.050 4.395 25.115 1.00 71.32 N ATOM 529 CA PHE A 41 32.585 3.850 26.357 1.00 64.10 C ATOM 530 C PHE A 41 34.107 3.751 26.296 1.00 71.40 C ATOM 531 O PHE A 41 34.702 3.831 25.221 1.00 22.33 O ATOM 532 CB PHE A 41 31.984 2.471 26.635 1.00 32.20 C ATOM 533 CG PHE A 41 30.813 2.506 27.575 1.00 53.11 C ATOM 534 CD1 PHE A 41 30.993 2.803 28.916 1.00 33.12 C ATOM 535 CD2 PHE A 41 29.532 2.242 27.117 1.00 70.11 C ATOM 536 CE1 PHE A 41 29.917 2.837 29.784 1.00 61.43 C ATOM 537 CE2 PHE A 41 28.453 2.275 27.980 1.00 74.54 C ATOM 538 CZ PHE A 41 28.646 2.571 29.315 1.00 55.03 C ATOM 0 H PHE A 41 32.675 4.310 24.313 1.00 71.32 H new ATOM 0 HA PHE A 41 32.314 4.526 27.168 1.00 64.10 H new ATOM 0 HB2 PHE A 41 31.670 2.024 25.692 1.00 32.20 H new ATOM 0 HB3 PHE A 41 32.756 1.825 27.053 1.00 32.20 H new ATOM 0 HD1 PHE A 41 31.985 3.010 29.288 1.00 33.12 H new ATOM 0 HD2 PHE A 41 29.375 2.008 26.074 1.00 70.11 H new ATOM 0 HE1 PHE A 41 30.071 3.071 30.827 1.00 61.43 H new ATOM 0 HE2 PHE A 41 27.459 2.069 27.610 1.00 74.54 H new ATOM 0 HZ PHE A 41 27.804 2.594 29.991 1.00 55.03 H new ATOM 548 N ARG A 42 34.729 3.576 27.457 1.00 5.41 N ATOM 549 CA ARG A 42 36.181 3.468 27.537 1.00 42.01 C ATOM 550 C ARG A 42 36.616 2.006 27.580 1.00 33.10 C ATOM 551 O ARG A 42 36.035 1.197 28.305 1.00 45.12 O ATOM 552 CB ARG A 42 36.702 4.203 28.774 1.00 75.52 C ATOM 553 CG ARG A 42 37.759 5.249 28.461 1.00 31.41 C ATOM 554 CD ARG A 42 37.652 6.445 29.394 1.00 70.12 C ATOM 555 NE ARG A 42 36.970 7.572 28.763 1.00 64.24 N ATOM 556 CZ ARG A 42 36.490 8.611 29.436 1.00 35.33 C ATOM 557 NH1 ARG A 42 36.615 8.666 30.755 1.00 23.30 N ATOM 558 NH2 ARG A 42 35.882 9.598 28.791 1.00 74.13 N ATOM 0 H ARG A 42 34.251 3.506 28.355 1.00 5.41 H new ATOM 0 HA ARG A 42 36.604 3.929 26.644 1.00 42.01 H new ATOM 0 HB2 ARG A 42 35.865 4.685 29.279 1.00 75.52 H new ATOM 0 HB3 ARG A 42 37.118 3.475 29.470 1.00 75.52 H new ATOM 0 HG2 ARG A 42 38.750 4.804 28.550 1.00 31.41 H new ATOM 0 HG3 ARG A 42 37.650 5.581 27.428 1.00 31.41 H new ATOM 0 HD2 ARG A 42 37.113 6.154 30.296 1.00 70.12 H new ATOM 0 HD3 ARG A 42 38.650 6.753 29.704 1.00 70.12 H new ATOM 0 HE ARG A 42 36.856 7.560 27.749 1.00 64.24 H new ATOM 0 HH11 ARG A 42 37.081 7.909 31.255 1.00 23.30 H new ATOM 0 HH12 ARG A 42 36.245 9.465 31.269 1.00 23.30 H new ATOM 0 HH21 ARG A 42 35.783 9.559 27.777 1.00 74.13 H new ATOM 0 HH22 ARG A 42 35.514 10.395 29.310 1.00 74.13 H new ATOM 572 N ILE A 43 37.639 1.675 26.799 1.00 35.23 N ATOM 573 CA ILE A 43 38.150 0.311 26.749 1.00 4.01 C ATOM 574 C ILE A 43 39.567 0.276 26.186 1.00 22.12 C ATOM 575 O ILE A 43 39.975 1.170 25.444 1.00 31.22 O ATOM 576 CB ILE A 43 37.248 -0.598 25.894 1.00 32.02 C ATOM 577 CG1 ILE A 43 37.592 -2.069 26.137 1.00 41.03 C ATOM 578 CG2 ILE A 43 37.391 -0.251 24.420 1.00 50.01 C ATOM 579 CD1 ILE A 43 37.458 -2.490 27.583 1.00 35.52 C ATOM 0 H ILE A 43 38.130 2.332 26.193 1.00 35.23 H new ATOM 0 HA ILE A 43 38.158 -0.060 27.774 1.00 4.01 H new ATOM 0 HB ILE A 43 36.211 -0.434 26.186 1.00 32.02 H new ATOM 0 HG12 ILE A 43 36.941 -2.692 25.524 1.00 41.03 H new ATOM 0 HG13 ILE A 43 38.614 -2.254 25.806 1.00 41.03 H new ATOM 0 HG21 ILE A 43 36.747 -0.902 23.829 1.00 50.01 H new ATOM 0 HG22 ILE A 43 37.101 0.788 24.261 1.00 50.01 H new ATOM 0 HG23 ILE A 43 38.428 -0.389 24.113 1.00 50.01 H new ATOM 0 HD11 ILE A 43 37.717 -3.544 27.681 1.00 35.52 H new ATOM 0 HD12 ILE A 43 38.129 -1.892 28.200 1.00 35.52 H new ATOM 0 HD13 ILE A 43 36.430 -2.337 27.913 1.00 35.52 H new ATOM 591 N LYS A 44 40.314 -0.764 26.542 1.00 11.35 N ATOM 592 CA LYS A 44 41.685 -0.919 26.071 1.00 11.02 C ATOM 593 C LYS A 44 41.739 -0.926 24.547 1.00 51.31 C ATOM 594 O LYS A 44 40.952 -1.609 23.892 1.00 40.25 O ATOM 595 CB LYS A 44 42.291 -2.213 26.619 1.00 31.02 C ATOM 596 CG LYS A 44 43.728 -2.443 26.185 1.00 21.20 C ATOM 597 CD LYS A 44 44.531 -3.149 27.265 1.00 12.42 C ATOM 598 CE LYS A 44 44.049 -4.576 27.475 1.00 11.25 C ATOM 599 NZ LYS A 44 44.503 -5.481 26.384 1.00 62.11 N ATOM 0 H LYS A 44 39.992 -1.513 27.156 1.00 11.35 H new ATOM 0 HA LYS A 44 42.265 -0.071 26.434 1.00 11.02 H new ATOM 0 HB2 LYS A 44 42.248 -2.192 27.708 1.00 31.02 H new ATOM 0 HB3 LYS A 44 41.682 -3.056 26.292 1.00 31.02 H new ATOM 0 HG2 LYS A 44 43.742 -3.038 25.272 1.00 21.20 H new ATOM 0 HG3 LYS A 44 44.195 -1.487 25.949 1.00 21.20 H new ATOM 0 HD2 LYS A 44 45.585 -3.157 26.989 1.00 12.42 H new ATOM 0 HD3 LYS A 44 44.450 -2.595 28.200 1.00 12.42 H new ATOM 0 HE2 LYS A 44 44.418 -4.947 28.431 1.00 11.25 H new ATOM 0 HE3 LYS A 44 42.960 -4.588 27.527 1.00 11.25 H new ATOM 0 HZ1 LYS A 44 43.685 -5.774 25.813 1.00 62.11 H new ATOM 0 HZ2 LYS A 44 45.186 -4.981 25.780 1.00 62.11 H new ATOM 0 HZ3 LYS A 44 44.956 -6.321 26.796 1.00 62.11 H new ATOM 613 N SER A 45 42.673 -0.162 23.989 1.00 71.21 N ATOM 614 CA SER A 45 42.828 -0.079 22.541 1.00 13.33 C ATOM 615 C SER A 45 42.921 -1.471 21.924 1.00 52.32 C ATOM 616 O SER A 45 42.457 -1.698 20.806 1.00 32.34 O ATOM 617 CB SER A 45 44.075 0.733 22.187 1.00 52.55 C ATOM 618 OG SER A 45 43.917 1.393 20.943 1.00 53.45 O ATOM 0 H SER A 45 43.334 0.408 24.517 1.00 71.21 H new ATOM 0 HA SER A 45 41.949 0.421 22.134 1.00 13.33 H new ATOM 0 HB2 SER A 45 44.269 1.467 22.969 1.00 52.55 H new ATOM 0 HB3 SER A 45 44.942 0.074 22.145 1.00 52.55 H new ATOM 0 HG SER A 45 44.727 1.906 20.740 1.00 53.45 H new ATOM 624 N ARG A 46 43.524 -2.398 22.660 1.00 61.43 N ATOM 625 CA ARG A 46 43.680 -3.768 22.185 1.00 30.10 C ATOM 626 C ARG A 46 42.344 -4.336 21.715 1.00 31.03 C ATOM 627 O ARG A 46 42.284 -5.093 20.746 1.00 65.12 O ATOM 628 CB ARG A 46 44.261 -4.651 23.291 1.00 11.22 C ATOM 629 CG ARG A 46 44.547 -6.076 22.846 1.00 11.32 C ATOM 630 CD ARG A 46 45.453 -6.107 21.626 1.00 42.25 C ATOM 631 NE ARG A 46 45.839 -7.468 21.265 1.00 71.43 N ATOM 632 CZ ARG A 46 45.003 -8.352 20.730 1.00 42.54 C ATOM 633 NH1 ARG A 46 43.742 -8.018 20.494 1.00 11.53 N ATOM 634 NH2 ARG A 46 45.429 -9.572 20.428 1.00 10.34 N ATOM 0 H ARG A 46 43.913 -2.226 23.587 1.00 61.43 H new ATOM 0 HA ARG A 46 44.368 -3.757 21.340 1.00 30.10 H new ATOM 0 HB2 ARG A 46 45.184 -4.201 23.656 1.00 11.22 H new ATOM 0 HB3 ARG A 46 43.565 -4.674 24.129 1.00 11.22 H new ATOM 0 HG2 ARG A 46 45.015 -6.626 23.662 1.00 11.32 H new ATOM 0 HG3 ARG A 46 43.609 -6.582 22.617 1.00 11.32 H new ATOM 0 HD2 ARG A 46 44.943 -5.640 20.784 1.00 42.25 H new ATOM 0 HD3 ARG A 46 46.348 -5.517 21.824 1.00 42.25 H new ATOM 0 HE ARG A 46 46.803 -7.756 21.433 1.00 71.43 H new ATOM 0 HH11 ARG A 46 43.411 -7.081 20.723 1.00 11.53 H new ATOM 0 HH12 ARG A 46 43.103 -8.698 20.083 1.00 11.53 H new ATOM 0 HH21 ARG A 46 46.399 -9.832 20.606 1.00 10.34 H new ATOM 0 HH22 ARG A 46 44.786 -10.249 20.017 1.00 10.34 H new ATOM 648 N THR A 47 41.272 -3.966 22.410 1.00 43.23 N ATOM 649 CA THR A 47 39.938 -4.439 22.066 1.00 75.05 C ATOM 650 C THR A 47 38.895 -3.349 22.283 1.00 15.20 C ATOM 651 O THR A 47 38.725 -2.852 23.396 1.00 32.31 O ATOM 652 CB THR A 47 39.549 -5.678 22.895 1.00 44.32 C ATOM 653 OG1 THR A 47 38.163 -5.982 22.702 1.00 45.20 O ATOM 654 CG2 THR A 47 39.822 -5.446 24.373 1.00 20.14 C ATOM 0 H THR A 47 41.303 -3.340 23.215 1.00 43.23 H new ATOM 0 HA THR A 47 39.962 -4.710 21.011 1.00 75.05 H new ATOM 0 HB THR A 47 40.154 -6.519 22.557 1.00 44.32 H new ATOM 0 HG1 THR A 47 37.909 -6.732 23.280 1.00 45.20 H new ATOM 0 HG21 THR A 47 39.540 -6.334 24.939 1.00 20.14 H new ATOM 0 HG22 THR A 47 40.883 -5.244 24.520 1.00 20.14 H new ATOM 0 HG23 THR A 47 39.239 -4.593 24.721 1.00 20.14 H new ATOM 662 N ALA A 48 38.198 -2.981 21.213 1.00 74.12 N ATOM 663 CA ALA A 48 37.169 -1.951 21.288 1.00 71.21 C ATOM 664 C ALA A 48 36.066 -2.202 20.265 1.00 13.44 C ATOM 665 O ALA A 48 34.929 -2.508 20.626 1.00 34.41 O ATOM 666 CB ALA A 48 37.783 -0.575 21.078 1.00 23.20 C ATOM 0 H ALA A 48 38.327 -3.381 20.284 1.00 74.12 H new ATOM 0 HA ALA A 48 36.723 -1.990 22.282 1.00 71.21 H new ATOM 0 HB1 ALA A 48 37.003 0.184 21.137 1.00 23.20 H new ATOM 0 HB2 ALA A 48 38.530 -0.388 21.850 1.00 23.20 H new ATOM 0 HB3 ALA A 48 38.257 -0.534 20.097 1.00 23.20 H new ATOM 672 N LEU A 49 36.408 -2.068 18.989 1.00 74.33 N ATOM 673 CA LEU A 49 35.445 -2.280 17.913 1.00 43.42 C ATOM 674 C LEU A 49 34.964 -3.727 17.889 1.00 10.22 C ATOM 675 O LEU A 49 33.867 -4.020 17.413 1.00 62.31 O ATOM 676 CB LEU A 49 36.070 -1.916 16.565 1.00 51.14 C ATOM 677 CG LEU A 49 35.326 -0.863 15.743 1.00 42.34 C ATOM 678 CD1 LEU A 49 33.847 -1.205 15.649 1.00 3.24 C ATOM 679 CD2 LEU A 49 35.518 0.520 16.348 1.00 5.03 C ATOM 0 H LEU A 49 37.344 -1.814 18.673 1.00 74.33 H new ATOM 0 HA LEU A 49 34.586 -1.635 18.095 1.00 43.42 H new ATOM 0 HB2 LEU A 49 37.085 -1.560 16.742 1.00 51.14 H new ATOM 0 HB3 LEU A 49 36.151 -2.824 15.967 1.00 51.14 H new ATOM 0 HG LEU A 49 35.741 -0.858 14.735 1.00 42.34 H new ATOM 0 HD11 LEU A 49 33.334 -0.444 15.060 1.00 3.24 H new ATOM 0 HD12 LEU A 49 33.728 -2.176 15.169 1.00 3.24 H new ATOM 0 HD13 LEU A 49 33.417 -1.240 16.650 1.00 3.24 H new ATOM 0 HD21 LEU A 49 34.982 1.257 15.750 1.00 5.03 H new ATOM 0 HD22 LEU A 49 35.131 0.528 17.367 1.00 5.03 H new ATOM 0 HD23 LEU A 49 36.580 0.767 16.361 1.00 5.03 H new ATOM 691 N LYS A 50 35.790 -4.628 18.409 1.00 64.34 N ATOM 692 CA LYS A 50 35.449 -6.045 18.451 1.00 21.21 C ATOM 693 C LYS A 50 34.259 -6.291 19.373 1.00 2.34 C ATOM 694 O LYS A 50 33.258 -6.882 18.969 1.00 61.25 O ATOM 695 CB LYS A 50 36.651 -6.867 18.922 1.00 2.44 C ATOM 696 CG LYS A 50 37.850 -6.779 17.994 1.00 53.34 C ATOM 697 CD LYS A 50 37.716 -7.733 16.818 1.00 14.35 C ATOM 698 CE LYS A 50 38.231 -9.121 17.166 1.00 13.00 C ATOM 699 NZ LYS A 50 38.277 -10.010 15.972 1.00 23.24 N ATOM 0 H LYS A 50 36.701 -4.402 18.808 1.00 64.34 H new ATOM 0 HA LYS A 50 35.176 -6.357 17.443 1.00 21.21 H new ATOM 0 HB2 LYS A 50 36.945 -6.528 19.915 1.00 2.44 H new ATOM 0 HB3 LYS A 50 36.352 -7.911 19.017 1.00 2.44 H new ATOM 0 HG2 LYS A 50 37.952 -5.758 17.626 1.00 53.34 H new ATOM 0 HG3 LYS A 50 38.759 -7.010 18.549 1.00 53.34 H new ATOM 0 HD2 LYS A 50 36.670 -7.797 16.517 1.00 14.35 H new ATOM 0 HD3 LYS A 50 38.270 -7.341 15.965 1.00 14.35 H new ATOM 0 HE2 LYS A 50 39.229 -9.041 17.598 1.00 13.00 H new ATOM 0 HE3 LYS A 50 37.589 -9.567 17.926 1.00 13.00 H new ATOM 0 HZ1 LYS A 50 38.633 -10.947 16.250 1.00 23.24 H new ATOM 0 HZ2 LYS A 50 37.321 -10.107 15.575 1.00 23.24 H new ATOM 0 HZ3 LYS A 50 38.909 -9.598 15.256 1.00 23.24 H new ATOM 713 N LYS A 51 34.374 -5.832 20.615 1.00 41.51 N ATOM 714 CA LYS A 51 33.307 -5.998 21.595 1.00 63.33 C ATOM 715 C LYS A 51 32.125 -5.090 21.272 1.00 60.23 C ATOM 716 O LYS A 51 30.980 -5.405 21.598 1.00 72.31 O ATOM 717 CB LYS A 51 33.827 -5.695 23.002 1.00 62.32 C ATOM 718 CG LYS A 51 34.849 -6.701 23.502 1.00 23.12 C ATOM 719 CD LYS A 51 34.498 -7.209 24.890 1.00 21.44 C ATOM 720 CE LYS A 51 33.553 -8.400 24.826 1.00 42.43 C ATOM 721 NZ LYS A 51 32.571 -8.390 25.945 1.00 2.21 N ATOM 0 H LYS A 51 35.196 -5.342 20.967 1.00 41.51 H new ATOM 0 HA LYS A 51 32.969 -7.033 21.554 1.00 63.33 H new ATOM 0 HB2 LYS A 51 34.274 -4.701 23.009 1.00 62.32 H new ATOM 0 HB3 LYS A 51 32.985 -5.670 23.694 1.00 62.32 H new ATOM 0 HG2 LYS A 51 34.903 -7.541 22.809 1.00 23.12 H new ATOM 0 HG3 LYS A 51 35.836 -6.239 23.521 1.00 23.12 H new ATOM 0 HD2 LYS A 51 35.409 -7.494 25.415 1.00 21.44 H new ATOM 0 HD3 LYS A 51 34.036 -6.407 25.466 1.00 21.44 H new ATOM 0 HE2 LYS A 51 33.020 -8.390 23.875 1.00 42.43 H new ATOM 0 HE3 LYS A 51 34.131 -9.324 24.858 1.00 42.43 H new ATOM 0 HZ1 LYS A 51 31.946 -9.217 25.866 1.00 2.21 H new ATOM 0 HZ2 LYS A 51 33.078 -8.425 26.852 1.00 2.21 H new ATOM 0 HZ3 LYS A 51 32.002 -7.520 25.900 1.00 2.21 H new ATOM 735 N LEU A 52 32.409 -3.963 20.628 1.00 21.41 N ATOM 736 CA LEU A 52 31.368 -3.010 20.259 1.00 5.11 C ATOM 737 C LEU A 52 30.426 -3.608 19.220 1.00 54.22 C ATOM 738 O LEU A 52 29.208 -3.619 19.405 1.00 3.14 O ATOM 739 CB LEU A 52 31.996 -1.725 19.716 1.00 60.03 C ATOM 740 CG LEU A 52 31.964 -0.515 20.650 1.00 54.11 C ATOM 741 CD1 LEU A 52 33.001 -0.663 21.752 1.00 60.40 C ATOM 742 CD2 LEU A 52 32.194 0.769 19.867 1.00 4.52 C ATOM 0 H LEU A 52 33.351 -3.687 20.351 1.00 21.41 H new ATOM 0 HA LEU A 52 30.790 -2.775 21.153 1.00 5.11 H new ATOM 0 HB2 LEU A 52 33.035 -1.933 19.459 1.00 60.03 H new ATOM 0 HB3 LEU A 52 31.486 -1.458 18.791 1.00 60.03 H new ATOM 0 HG LEU A 52 30.978 -0.463 21.112 1.00 54.11 H new ATOM 0 HD11 LEU A 52 32.963 0.208 22.407 1.00 60.40 H new ATOM 0 HD12 LEU A 52 32.790 -1.562 22.331 1.00 60.40 H new ATOM 0 HD13 LEU A 52 33.994 -0.741 21.309 1.00 60.40 H new ATOM 0 HD21 LEU A 52 32.168 1.620 20.548 1.00 4.52 H new ATOM 0 HD22 LEU A 52 33.166 0.727 19.376 1.00 4.52 H new ATOM 0 HD23 LEU A 52 31.413 0.882 19.115 1.00 4.52 H new ATOM 754 N ILE A 53 30.996 -4.106 18.128 1.00 41.40 N ATOM 755 CA ILE A 53 30.207 -4.708 17.061 1.00 35.32 C ATOM 756 C ILE A 53 29.647 -6.061 17.489 1.00 55.33 C ATOM 757 O ILE A 53 28.563 -6.458 17.061 1.00 34.53 O ATOM 758 CB ILE A 53 31.040 -4.892 15.779 1.00 31.42 C ATOM 759 CG1 ILE A 53 30.152 -5.381 14.633 1.00 34.23 C ATOM 760 CG2 ILE A 53 32.181 -5.868 16.025 1.00 43.20 C ATOM 761 CD1 ILE A 53 30.789 -5.234 13.269 1.00 0.44 C ATOM 0 H ILE A 53 32.002 -4.104 17.959 1.00 41.40 H new ATOM 0 HA ILE A 53 29.383 -4.025 16.853 1.00 35.32 H new ATOM 0 HB ILE A 53 31.465 -3.928 15.498 1.00 31.42 H new ATOM 0 HG12 ILE A 53 29.904 -6.430 14.798 1.00 34.23 H new ATOM 0 HG13 ILE A 53 29.214 -4.826 14.649 1.00 34.23 H new ATOM 0 HG21 ILE A 53 32.761 -5.988 15.110 1.00 43.20 H new ATOM 0 HG22 ILE A 53 32.825 -5.483 16.815 1.00 43.20 H new ATOM 0 HG23 ILE A 53 31.775 -6.834 16.327 1.00 43.20 H new ATOM 0 HD11 ILE A 53 30.103 -5.601 12.506 1.00 0.44 H new ATOM 0 HD12 ILE A 53 31.012 -4.183 13.083 1.00 0.44 H new ATOM 0 HD13 ILE A 53 31.712 -5.812 13.234 1.00 0.44 H new ATOM 773 N ASP A 54 30.391 -6.762 18.336 1.00 65.22 N ATOM 774 CA ASP A 54 29.968 -8.069 18.824 1.00 24.54 C ATOM 775 C ASP A 54 28.810 -7.933 19.808 1.00 61.33 C ATOM 776 O ASP A 54 27.863 -8.720 19.781 1.00 12.24 O ATOM 777 CB ASP A 54 31.139 -8.791 19.493 1.00 24.12 C ATOM 778 CG ASP A 54 30.771 -10.187 19.956 1.00 11.25 C ATOM 779 OD1 ASP A 54 30.075 -10.898 19.202 1.00 72.31 O ATOM 780 OD2 ASP A 54 31.179 -10.568 21.073 1.00 2.01 O ATOM 0 H ASP A 54 31.291 -6.447 18.699 1.00 65.22 H new ATOM 0 HA ASP A 54 29.629 -8.656 17.970 1.00 24.54 H new ATOM 0 HB2 ASP A 54 31.972 -8.852 18.793 1.00 24.12 H new ATOM 0 HB3 ASP A 54 31.482 -8.207 20.347 1.00 24.12 H new ATOM 785 N THR A 55 28.893 -6.930 20.676 1.00 35.23 N ATOM 786 CA THR A 55 27.853 -6.692 21.670 1.00 61.03 C ATOM 787 C THR A 55 26.604 -6.100 21.027 1.00 31.03 C ATOM 788 O THR A 55 25.481 -6.450 21.392 1.00 2.33 O ATOM 789 CB THR A 55 28.344 -5.744 22.780 1.00 31.12 C ATOM 790 OG1 THR A 55 29.448 -6.334 23.475 1.00 45.20 O ATOM 791 CG2 THR A 55 27.225 -5.438 23.764 1.00 52.41 C ATOM 0 H THR A 55 29.669 -6.269 20.711 1.00 35.23 H new ATOM 0 HA THR A 55 27.608 -7.659 22.110 1.00 61.03 H new ATOM 0 HB THR A 55 28.664 -4.811 22.316 1.00 31.12 H new ATOM 0 HG1 THR A 55 30.288 -6.000 23.097 1.00 45.20 H new ATOM 0 HG21 THR A 55 27.595 -4.767 24.539 1.00 52.41 H new ATOM 0 HG22 THR A 55 26.397 -4.963 23.237 1.00 52.41 H new ATOM 0 HG23 THR A 55 26.879 -6.365 24.222 1.00 52.41 H new ATOM 799 N TYR A 56 26.806 -5.203 20.069 1.00 12.30 N ATOM 800 CA TYR A 56 25.695 -4.561 19.377 1.00 52.33 C ATOM 801 C TYR A 56 24.955 -5.559 18.491 1.00 42.42 C ATOM 802 O TYR A 56 23.725 -5.571 18.444 1.00 55.12 O ATOM 803 CB TYR A 56 26.201 -3.390 18.533 1.00 52.34 C ATOM 804 CG TYR A 56 25.185 -2.283 18.362 1.00 0.31 C ATOM 805 CD1 TYR A 56 23.959 -2.525 17.756 1.00 72.32 C ATOM 806 CD2 TYR A 56 25.452 -0.994 18.808 1.00 34.14 C ATOM 807 CE1 TYR A 56 23.028 -1.517 17.597 1.00 3.33 C ATOM 808 CE2 TYR A 56 24.526 0.020 18.655 1.00 4.55 C ATOM 809 CZ TYR A 56 23.317 -0.246 18.049 1.00 54.31 C ATOM 810 OH TYR A 56 22.392 0.761 17.894 1.00 13.42 O ATOM 0 H TYR A 56 27.729 -4.904 19.754 1.00 12.30 H new ATOM 0 HA TYR A 56 25.000 -4.185 20.128 1.00 52.33 H new ATOM 0 HB2 TYR A 56 27.098 -2.980 18.997 1.00 52.34 H new ATOM 0 HB3 TYR A 56 26.491 -3.760 17.550 1.00 52.34 H new ATOM 0 HD1 TYR A 56 23.729 -3.519 17.403 1.00 72.32 H new ATOM 0 HD2 TYR A 56 26.399 -0.781 19.282 1.00 34.14 H new ATOM 0 HE1 TYR A 56 22.080 -1.723 17.122 1.00 3.33 H new ATOM 0 HE2 TYR A 56 24.748 1.016 19.008 1.00 4.55 H new ATOM 0 HH TYR A 56 22.750 1.594 18.266 1.00 13.42 H new ATOM 820 N CYS A 57 25.714 -6.394 17.791 1.00 45.13 N ATOM 821 CA CYS A 57 25.133 -7.397 16.905 1.00 13.44 C ATOM 822 C CYS A 57 24.443 -8.496 17.707 1.00 2.43 C ATOM 823 O CYS A 57 23.347 -8.936 17.362 1.00 34.44 O ATOM 824 CB CYS A 57 26.213 -8.004 16.009 1.00 53.21 C ATOM 825 SG CYS A 57 26.706 -6.946 14.628 1.00 72.45 S ATOM 0 H CYS A 57 26.734 -6.397 17.819 1.00 45.13 H new ATOM 0 HA CYS A 57 24.387 -6.906 16.280 1.00 13.44 H new ATOM 0 HB2 CYS A 57 27.091 -8.225 16.615 1.00 53.21 H new ATOM 0 HB3 CYS A 57 25.851 -8.954 15.614 1.00 53.21 H new ATOM 0 HG CYS A 57 26.111 -7.344 13.543 1.00 72.45 H new ATOM 831 N LYS A 58 25.094 -8.936 18.779 1.00 50.31 N ATOM 832 CA LYS A 58 24.545 -9.984 19.631 1.00 41.10 C ATOM 833 C LYS A 58 23.312 -9.487 20.379 1.00 3.12 C ATOM 834 O LYS A 58 22.325 -10.209 20.520 1.00 63.43 O ATOM 835 CB LYS A 58 25.602 -10.464 20.629 1.00 55.31 C ATOM 836 CG LYS A 58 26.611 -11.427 20.030 1.00 62.34 C ATOM 837 CD LYS A 58 26.627 -12.752 20.773 1.00 22.15 C ATOM 838 CE LYS A 58 28.038 -13.309 20.890 1.00 52.10 C ATOM 839 NZ LYS A 58 28.490 -13.383 22.307 1.00 53.10 N ATOM 0 H LYS A 58 26.003 -8.583 19.078 1.00 50.31 H new ATOM 0 HA LYS A 58 24.250 -10.818 18.994 1.00 41.10 H new ATOM 0 HB2 LYS A 58 26.131 -9.599 21.029 1.00 55.31 H new ATOM 0 HB3 LYS A 58 25.103 -10.949 21.468 1.00 55.31 H new ATOM 0 HG2 LYS A 58 26.371 -11.600 18.981 1.00 62.34 H new ATOM 0 HG3 LYS A 58 27.605 -10.980 20.061 1.00 62.34 H new ATOM 0 HD2 LYS A 58 26.204 -12.617 21.769 1.00 22.15 H new ATOM 0 HD3 LYS A 58 25.993 -13.470 20.252 1.00 22.15 H new ATOM 0 HE2 LYS A 58 28.074 -14.303 20.445 1.00 52.10 H new ATOM 0 HE3 LYS A 58 28.725 -12.681 20.322 1.00 52.10 H new ATOM 0 HZ1 LYS A 58 29.456 -13.767 22.344 1.00 53.10 H new ATOM 0 HZ2 LYS A 58 28.480 -12.431 22.725 1.00 53.10 H new ATOM 0 HZ3 LYS A 58 27.850 -14.003 22.844 1.00 53.10 H new ATOM 853 N LYS A 59 23.375 -8.249 20.857 1.00 51.42 N ATOM 854 CA LYS A 59 22.263 -7.653 21.588 1.00 21.03 C ATOM 855 C LYS A 59 21.058 -7.450 20.676 1.00 73.51 C ATOM 856 O LYS A 59 19.933 -7.798 21.034 1.00 54.51 O ATOM 857 CB LYS A 59 22.686 -6.314 22.198 1.00 75.33 C ATOM 858 CG LYS A 59 23.480 -6.455 23.484 1.00 25.43 C ATOM 859 CD LYS A 59 22.605 -6.931 24.632 1.00 52.35 C ATOM 860 CE LYS A 59 22.048 -5.761 25.429 1.00 22.33 C ATOM 861 NZ LYS A 59 20.678 -6.041 25.942 1.00 63.44 N ATOM 0 H LYS A 59 24.185 -7.638 20.751 1.00 51.42 H new ATOM 0 HA LYS A 59 21.979 -8.337 22.388 1.00 21.03 H new ATOM 0 HB2 LYS A 59 23.284 -5.766 21.470 1.00 75.33 H new ATOM 0 HB3 LYS A 59 21.796 -5.716 22.394 1.00 75.33 H new ATOM 0 HG2 LYS A 59 24.297 -7.160 23.332 1.00 25.43 H new ATOM 0 HG3 LYS A 59 23.930 -5.496 23.742 1.00 25.43 H new ATOM 0 HD2 LYS A 59 21.783 -7.530 24.240 1.00 52.35 H new ATOM 0 HD3 LYS A 59 23.186 -7.578 25.290 1.00 52.35 H new ATOM 0 HE2 LYS A 59 22.712 -5.543 26.266 1.00 22.33 H new ATOM 0 HE3 LYS A 59 22.025 -4.871 24.800 1.00 22.33 H new ATOM 0 HZ1 LYS A 59 20.334 -5.220 26.479 1.00 63.44 H new ATOM 0 HZ2 LYS A 59 20.039 -6.224 25.142 1.00 63.44 H new ATOM 0 HZ3 LYS A 59 20.703 -6.875 26.563 1.00 63.44 H new ATOM 875 N GLN A 60 21.302 -6.889 19.496 1.00 12.55 N ATOM 876 CA GLN A 60 20.235 -6.641 18.533 1.00 23.33 C ATOM 877 C GLN A 60 19.582 -7.949 18.097 1.00 11.51 C ATOM 878 O GLN A 60 18.466 -7.954 17.580 1.00 13.10 O ATOM 879 CB GLN A 60 20.783 -5.899 17.313 1.00 23.31 C ATOM 880 CG GLN A 60 20.860 -4.393 17.501 1.00 5.22 C ATOM 881 CD GLN A 60 20.492 -3.628 16.245 1.00 22.11 C ATOM 882 OE1 GLN A 60 21.359 -3.686 15.241 1.00 71.24 O flip ATOM 883 NE2 GLN A 60 19.440 -2.992 16.178 1.00 42.21 N flip ATOM 0 H GLN A 60 22.228 -6.598 19.184 1.00 12.55 H new ATOM 0 HA GLN A 60 19.479 -6.022 19.016 1.00 23.33 H new ATOM 0 HB2 GLN A 60 21.778 -6.279 17.084 1.00 23.31 H new ATOM 0 HB3 GLN A 60 20.152 -6.117 16.452 1.00 23.31 H new ATOM 0 HG2 GLN A 60 20.193 -4.097 18.310 1.00 5.22 H new ATOM 0 HG3 GLN A 60 21.870 -4.120 17.805 1.00 5.22 H new ATOM 0 HE21 GLN A 60 18.803 -2.975 16.974 1.00 42.21 H new ATOM 0 HE22 GLN A 60 19.206 -2.482 15.326 1.00 42.21 H new ATOM 892 N GLY A 61 20.286 -9.056 18.309 1.00 22.32 N ATOM 893 CA GLY A 61 19.759 -10.354 17.932 1.00 73.45 C ATOM 894 C GLY A 61 19.955 -10.654 16.459 1.00 44.03 C ATOM 895 O GLY A 61 19.146 -11.352 15.847 1.00 12.40 O ATOM 0 H GLY A 61 21.212 -9.077 18.735 1.00 22.32 H new ATOM 0 HA2 GLY A 61 20.247 -11.127 18.525 1.00 73.45 H new ATOM 0 HA3 GLY A 61 18.696 -10.394 18.169 1.00 73.45 H new ATOM 899 N ILE A 62 21.032 -10.125 15.888 1.00 40.34 N ATOM 900 CA ILE A 62 21.331 -10.339 14.477 1.00 25.23 C ATOM 901 C ILE A 62 22.824 -10.568 14.261 1.00 55.33 C ATOM 902 O ILE A 62 23.658 -9.857 14.820 1.00 25.33 O ATOM 903 CB ILE A 62 20.876 -9.145 13.617 1.00 23.42 C ATOM 904 CG1 ILE A 62 21.337 -7.830 14.248 1.00 52.43 C ATOM 905 CG2 ILE A 62 19.364 -9.159 13.451 1.00 41.41 C ATOM 906 CD1 ILE A 62 20.898 -6.604 13.477 1.00 21.11 C ATOM 0 H ILE A 62 21.712 -9.545 16.380 1.00 40.34 H new ATOM 0 HA ILE A 62 20.781 -11.228 14.169 1.00 25.23 H new ATOM 0 HB ILE A 62 21.331 -9.231 12.630 1.00 23.42 H new ATOM 0 HG12 ILE A 62 20.949 -7.768 15.265 1.00 52.43 H new ATOM 0 HG13 ILE A 62 22.425 -7.833 14.322 1.00 52.43 H new ATOM 0 HG21 ILE A 62 19.057 -8.309 12.841 1.00 41.41 H new ATOM 0 HG22 ILE A 62 19.060 -10.085 12.963 1.00 41.41 H new ATOM 0 HG23 ILE A 62 18.890 -9.093 14.430 1.00 41.41 H new ATOM 0 HD11 ILE A 62 21.260 -5.708 13.982 1.00 21.11 H new ATOM 0 HD12 ILE A 62 21.308 -6.643 12.468 1.00 21.11 H new ATOM 0 HD13 ILE A 62 19.810 -6.577 13.426 1.00 21.11 H new ATOM 918 N SER A 63 23.152 -11.563 13.443 1.00 34.21 N ATOM 919 CA SER A 63 24.543 -11.887 13.153 1.00 25.14 C ATOM 920 C SER A 63 25.265 -10.688 12.545 1.00 71.53 C ATOM 921 O SER A 63 24.646 -9.672 12.230 1.00 10.21 O ATOM 922 CB SER A 63 24.624 -13.082 12.202 1.00 75.25 C ATOM 923 OG SER A 63 23.965 -14.213 12.746 1.00 41.21 O ATOM 0 H SER A 63 22.473 -12.159 12.969 1.00 34.21 H new ATOM 0 HA SER A 63 25.033 -12.146 14.092 1.00 25.14 H new ATOM 0 HB2 SER A 63 24.173 -12.820 11.245 1.00 75.25 H new ATOM 0 HB3 SER A 63 25.668 -13.325 12.007 1.00 75.25 H new ATOM 0 HG SER A 63 24.030 -14.963 12.118 1.00 41.21 H new ATOM 929 N ARG A 64 26.578 -10.816 12.382 1.00 73.21 N ATOM 930 CA ARG A 64 27.385 -9.744 11.812 1.00 13.13 C ATOM 931 C ARG A 64 27.402 -9.827 10.289 1.00 54.33 C ATOM 932 O ARG A 64 28.464 -9.810 9.668 1.00 33.43 O ATOM 933 CB ARG A 64 28.814 -9.810 12.353 1.00 22.22 C ATOM 934 CG ARG A 64 28.887 -10.037 13.854 1.00 4.34 C ATOM 935 CD ARG A 64 30.315 -9.923 14.366 1.00 50.01 C ATOM 936 NE ARG A 64 30.601 -10.901 15.413 1.00 52.54 N ATOM 937 CZ ARG A 64 30.775 -12.197 15.180 1.00 52.31 C ATOM 938 NH1 ARG A 64 30.693 -12.669 13.944 1.00 50.54 N ATOM 939 NH2 ARG A 64 31.032 -13.024 16.185 1.00 11.22 N ATOM 0 H ARG A 64 27.105 -11.651 12.637 1.00 73.21 H new ATOM 0 HA ARG A 64 26.938 -8.793 12.102 1.00 13.13 H new ATOM 0 HB2 ARG A 64 29.349 -10.613 11.846 1.00 22.22 H new ATOM 0 HB3 ARG A 64 29.329 -8.881 12.109 1.00 22.22 H new ATOM 0 HG2 ARG A 64 28.257 -9.308 14.364 1.00 4.34 H new ATOM 0 HG3 ARG A 64 28.491 -11.024 14.094 1.00 4.34 H new ATOM 0 HD2 ARG A 64 31.009 -10.065 13.538 1.00 50.01 H new ATOM 0 HD3 ARG A 64 30.482 -8.918 14.753 1.00 50.01 H new ATOM 0 HE ARG A 64 30.671 -10.571 16.375 1.00 52.54 H new ATOM 0 HH11 ARG A 64 30.496 -12.036 13.169 1.00 50.54 H new ATOM 0 HH12 ARG A 64 30.827 -13.665 13.768 1.00 50.54 H new ATOM 0 HH21 ARG A 64 31.096 -12.665 17.137 1.00 11.22 H new ATOM 0 HH22 ARG A 64 31.165 -14.019 16.005 1.00 11.22 H new ATOM 953 N ASN A 65 26.217 -9.916 9.693 1.00 71.10 N ATOM 954 CA ASN A 65 26.096 -10.003 8.242 1.00 14.32 C ATOM 955 C ASN A 65 25.000 -9.072 7.731 1.00 1.34 C ATOM 956 O ASN A 65 24.184 -9.457 6.894 1.00 21.23 O ATOM 957 CB ASN A 65 25.795 -11.442 7.820 1.00 60.23 C ATOM 958 CG ASN A 65 26.523 -12.460 8.676 1.00 22.11 C ATOM 959 OD1 ASN A 65 27.744 -12.404 8.824 1.00 41.31 O ATOM 960 ND2 ASN A 65 25.775 -13.398 9.245 1.00 13.01 N ATOM 0 H ASN A 65 25.328 -9.930 10.192 1.00 71.10 H new ATOM 0 HA ASN A 65 27.045 -9.694 7.804 1.00 14.32 H new ATOM 0 HB2 ASN A 65 24.721 -11.619 7.884 1.00 60.23 H new ATOM 0 HB3 ASN A 65 26.079 -11.579 6.777 1.00 60.23 H new ATOM 0 HD21 ASN A 65 26.209 -14.110 9.832 1.00 13.01 H new ATOM 0 HD22 ASN A 65 24.766 -13.406 9.095 1.00 13.01 H new ATOM 967 N SER A 66 24.989 -7.844 8.241 1.00 62.10 N ATOM 968 CA SER A 66 23.993 -6.859 7.839 1.00 15.51 C ATOM 969 C SER A 66 24.264 -5.511 8.501 1.00 51.35 C ATOM 970 O SER A 66 23.338 -4.764 8.817 1.00 51.54 O ATOM 971 CB SER A 66 22.588 -7.344 8.203 1.00 23.51 C ATOM 972 OG SER A 66 21.704 -7.218 7.103 1.00 12.12 O ATOM 0 H SER A 66 25.659 -7.508 8.933 1.00 62.10 H new ATOM 0 HA SER A 66 24.058 -6.734 6.758 1.00 15.51 H new ATOM 0 HB2 SER A 66 22.631 -8.385 8.522 1.00 23.51 H new ATOM 0 HB3 SER A 66 22.208 -6.768 9.047 1.00 23.51 H new ATOM 0 HG SER A 66 20.814 -7.536 7.361 1.00 12.12 H new ATOM 978 N VAL A 67 25.541 -5.206 8.707 1.00 23.51 N ATOM 979 CA VAL A 67 25.937 -3.949 9.330 1.00 53.22 C ATOM 980 C VAL A 67 27.355 -3.559 8.929 1.00 22.55 C ATOM 981 O VAL A 67 28.301 -4.319 9.139 1.00 30.23 O ATOM 982 CB VAL A 67 25.853 -4.032 10.865 1.00 31.25 C ATOM 983 CG1 VAL A 67 24.417 -3.850 11.333 1.00 50.32 C ATOM 984 CG2 VAL A 67 26.419 -5.355 11.358 1.00 34.44 C ATOM 0 H VAL A 67 26.320 -5.813 8.451 1.00 23.51 H new ATOM 0 HA VAL A 67 25.241 -3.188 8.977 1.00 53.22 H new ATOM 0 HB VAL A 67 26.452 -3.226 11.288 1.00 31.25 H new ATOM 0 HG11 VAL A 67 24.378 -3.912 12.421 1.00 50.32 H new ATOM 0 HG12 VAL A 67 24.050 -2.875 11.012 1.00 50.32 H new ATOM 0 HG13 VAL A 67 23.792 -4.632 10.903 1.00 50.32 H new ATOM 0 HG21 VAL A 67 26.352 -5.397 12.445 1.00 34.44 H new ATOM 0 HG22 VAL A 67 25.849 -6.178 10.927 1.00 34.44 H new ATOM 0 HG23 VAL A 67 27.463 -5.440 11.055 1.00 34.44 H new ATOM 994 N ARG A 68 27.496 -2.371 8.352 1.00 1.44 N ATOM 995 CA ARG A 68 28.800 -1.880 7.922 1.00 73.03 C ATOM 996 C ARG A 68 29.353 -0.862 8.915 1.00 73.12 C ATOM 997 O ARG A 68 28.760 0.195 9.131 1.00 42.31 O ATOM 998 CB ARG A 68 28.697 -1.249 6.532 1.00 42.10 C ATOM 999 CG ARG A 68 27.560 -0.249 6.400 1.00 43.15 C ATOM 1000 CD ARG A 68 27.524 0.373 5.012 1.00 20.12 C ATOM 1001 NE ARG A 68 28.805 0.971 4.647 1.00 42.20 N ATOM 1002 CZ ARG A 68 29.134 1.300 3.403 1.00 45.41 C ATOM 1003 NH1 ARG A 68 28.281 1.091 2.410 1.00 30.22 N ATOM 1004 NH2 ARG A 68 30.320 1.841 3.150 1.00 74.11 N ATOM 0 H ARG A 68 26.723 -1.730 8.171 1.00 1.44 H new ATOM 0 HA ARG A 68 29.484 -2.728 7.880 1.00 73.03 H new ATOM 0 HB2 ARG A 68 29.637 -0.750 6.298 1.00 42.10 H new ATOM 0 HB3 ARG A 68 28.563 -2.039 5.793 1.00 42.10 H new ATOM 0 HG2 ARG A 68 26.611 -0.746 6.602 1.00 43.15 H new ATOM 0 HG3 ARG A 68 27.675 0.535 7.149 1.00 43.15 H new ATOM 0 HD2 ARG A 68 27.258 -0.390 4.280 1.00 20.12 H new ATOM 0 HD3 ARG A 68 26.745 1.135 4.976 1.00 20.12 H new ATOM 0 HE ARG A 68 29.484 1.146 5.388 1.00 42.20 H new ATOM 0 HH11 ARG A 68 27.369 0.676 2.600 1.00 30.22 H new ATOM 0 HH12 ARG A 68 28.537 1.345 1.456 1.00 30.22 H new ATOM 0 HH21 ARG A 68 30.979 2.004 3.911 1.00 74.11 H new ATOM 0 HH22 ARG A 68 30.572 2.093 2.194 1.00 74.11 H new ATOM 1018 N PHE A 69 30.492 -1.189 9.517 1.00 54.33 N ATOM 1019 CA PHE A 69 31.124 -0.304 10.488 1.00 1.01 C ATOM 1020 C PHE A 69 32.296 0.444 9.860 1.00 43.20 C ATOM 1021 O PHE A 69 33.340 -0.143 9.571 1.00 32.35 O ATOM 1022 CB PHE A 69 31.606 -1.104 11.700 1.00 13.23 C ATOM 1023 CG PHE A 69 30.493 -1.548 12.606 1.00 11.11 C ATOM 1024 CD1 PHE A 69 29.568 -2.488 12.180 1.00 42.33 C ATOM 1025 CD2 PHE A 69 30.372 -1.026 13.884 1.00 72.21 C ATOM 1026 CE1 PHE A 69 28.543 -2.897 13.011 1.00 72.31 C ATOM 1027 CE2 PHE A 69 29.349 -1.432 14.720 1.00 74.52 C ATOM 1028 CZ PHE A 69 28.434 -2.370 14.283 1.00 74.11 C ATOM 0 H PHE A 69 30.996 -2.060 9.349 1.00 54.33 H new ATOM 0 HA PHE A 69 30.383 0.426 10.814 1.00 1.01 H new ATOM 0 HB2 PHE A 69 32.153 -1.981 11.353 1.00 13.23 H new ATOM 0 HB3 PHE A 69 32.308 -0.496 12.271 1.00 13.23 H new ATOM 0 HD1 PHE A 69 29.649 -2.905 11.187 1.00 42.33 H new ATOM 0 HD2 PHE A 69 31.086 -0.293 14.231 1.00 72.21 H new ATOM 0 HE1 PHE A 69 27.827 -3.629 12.666 1.00 72.31 H new ATOM 0 HE2 PHE A 69 29.265 -1.017 15.713 1.00 74.52 H new ATOM 0 HZ PHE A 69 27.635 -2.691 14.935 1.00 74.11 H new ATOM 1038 N LEU A 70 32.117 1.744 9.650 1.00 34.41 N ATOM 1039 CA LEU A 70 33.158 2.574 9.055 1.00 24.25 C ATOM 1040 C LEU A 70 33.625 3.646 10.034 1.00 12.55 C ATOM 1041 O LEU A 70 32.888 4.038 10.940 1.00 24.33 O ATOM 1042 CB LEU A 70 32.646 3.228 7.771 1.00 32.40 C ATOM 1043 CG LEU A 70 31.161 3.591 7.749 1.00 33.22 C ATOM 1044 CD1 LEU A 70 30.868 4.703 8.745 1.00 64.33 C ATOM 1045 CD2 LEU A 70 30.733 4.001 6.348 1.00 54.13 C ATOM 0 H LEU A 70 31.260 2.246 9.883 1.00 34.41 H new ATOM 0 HA LEU A 70 34.006 1.933 8.815 1.00 24.25 H new ATOM 0 HB2 LEU A 70 33.224 4.135 7.594 1.00 32.40 H new ATOM 0 HB3 LEU A 70 32.847 2.554 6.938 1.00 32.40 H new ATOM 0 HG LEU A 70 30.587 2.711 8.040 1.00 33.22 H new ATOM 0 HD11 LEU A 70 29.806 4.948 8.715 1.00 64.33 H new ATOM 0 HD12 LEU A 70 31.136 4.373 9.749 1.00 64.33 H new ATOM 0 HD13 LEU A 70 31.451 5.587 8.486 1.00 64.33 H new ATOM 0 HD21 LEU A 70 29.673 4.256 6.351 1.00 54.13 H new ATOM 0 HD22 LEU A 70 31.313 4.867 6.029 1.00 54.13 H new ATOM 0 HD23 LEU A 70 30.905 3.175 5.658 1.00 54.13 H new ATOM 1057 N PHE A 71 34.852 4.120 9.845 1.00 70.11 N ATOM 1058 CA PHE A 71 35.417 5.149 10.710 1.00 34.24 C ATOM 1059 C PHE A 71 35.945 6.321 9.889 1.00 63.24 C ATOM 1060 O PHE A 71 37.018 6.239 9.290 1.00 1.31 O ATOM 1061 CB PHE A 71 36.541 4.564 11.567 1.00 22.42 C ATOM 1062 CG PHE A 71 37.435 5.606 12.176 1.00 22.20 C ATOM 1063 CD1 PHE A 71 36.898 6.730 12.782 1.00 21.25 C ATOM 1064 CD2 PHE A 71 38.813 5.462 12.141 1.00 31.53 C ATOM 1065 CE1 PHE A 71 37.718 7.691 13.344 1.00 30.50 C ATOM 1066 CE2 PHE A 71 39.638 6.419 12.702 1.00 74.35 C ATOM 1067 CZ PHE A 71 39.090 7.535 13.302 1.00 14.15 C ATOM 0 H PHE A 71 35.475 3.808 9.100 1.00 70.11 H new ATOM 0 HA PHE A 71 34.624 5.514 11.363 1.00 34.24 H new ATOM 0 HB2 PHE A 71 36.104 3.961 12.363 1.00 22.42 H new ATOM 0 HB3 PHE A 71 37.143 3.894 10.954 1.00 22.42 H new ATOM 0 HD1 PHE A 71 35.826 6.857 12.816 1.00 21.25 H new ATOM 0 HD2 PHE A 71 39.247 4.592 11.670 1.00 31.53 H new ATOM 0 HE1 PHE A 71 37.287 8.562 13.815 1.00 30.50 H new ATOM 0 HE2 PHE A 71 40.710 6.294 12.671 1.00 74.35 H new ATOM 0 HZ PHE A 71 39.733 8.285 13.738 1.00 14.15 H new ATOM 1077 N ASP A 72 35.184 7.409 9.865 1.00 43.45 N ATOM 1078 CA ASP A 72 35.575 8.599 9.117 1.00 1.01 C ATOM 1079 C ASP A 72 35.846 8.258 7.655 1.00 21.42 C ATOM 1080 O ASP A 72 36.636 8.924 6.988 1.00 70.04 O ATOM 1081 CB ASP A 72 36.817 9.236 9.744 1.00 55.05 C ATOM 1082 CG ASP A 72 36.668 10.733 9.928 1.00 2.43 C ATOM 1083 OD1 ASP A 72 36.188 11.403 8.990 1.00 73.24 O ATOM 1084 OD2 ASP A 72 37.032 11.236 11.012 1.00 33.10 O ATOM 0 H ASP A 72 34.293 7.492 10.354 1.00 43.45 H new ATOM 0 HA ASP A 72 34.751 9.311 9.158 1.00 1.01 H new ATOM 0 HB2 ASP A 72 37.012 8.771 10.711 1.00 55.05 H new ATOM 0 HB3 ASP A 72 37.683 9.035 9.113 1.00 55.05 H new ATOM 1089 N GLY A 73 35.185 7.213 7.164 1.00 5.31 N ATOM 1090 CA GLY A 73 35.370 6.801 5.785 1.00 73.20 C ATOM 1091 C GLY A 73 36.167 5.517 5.665 1.00 12.04 C ATOM 1092 O GLY A 73 36.538 5.107 4.565 1.00 52.21 O ATOM 0 H GLY A 73 34.526 6.645 7.696 1.00 5.31 H new ATOM 0 HA2 GLY A 73 34.396 6.665 5.316 1.00 73.20 H new ATOM 0 HA3 GLY A 73 35.880 7.594 5.237 1.00 73.20 H new ATOM 1096 N THR A 74 36.433 4.880 6.801 1.00 23.42 N ATOM 1097 CA THR A 74 37.194 3.637 6.820 1.00 60.43 C ATOM 1098 C THR A 74 36.302 2.451 7.171 1.00 40.34 C ATOM 1099 O THR A 74 36.216 2.028 8.324 1.00 52.34 O ATOM 1100 CB THR A 74 38.357 3.705 7.827 1.00 64.10 C ATOM 1101 OG1 THR A 74 39.078 4.931 7.660 1.00 24.13 O ATOM 1102 CG2 THR A 74 39.302 2.526 7.644 1.00 53.42 C ATOM 0 H THR A 74 36.133 5.205 7.720 1.00 23.42 H new ATOM 0 HA THR A 74 37.599 3.500 5.817 1.00 60.43 H new ATOM 0 HB THR A 74 37.940 3.663 8.833 1.00 64.10 H new ATOM 0 HG1 THR A 74 38.618 5.649 8.143 1.00 24.13 H new ATOM 0 HG21 THR A 74 40.115 2.596 8.366 1.00 53.42 H new ATOM 0 HG22 THR A 74 38.757 1.595 7.800 1.00 53.42 H new ATOM 0 HG23 THR A 74 39.712 2.541 6.634 1.00 53.42 H new ATOM 1110 N PRO A 75 35.622 1.900 6.154 1.00 11.23 N ATOM 1111 CA PRO A 75 34.725 0.754 6.331 1.00 11.42 C ATOM 1112 C PRO A 75 35.482 -0.530 6.650 1.00 34.42 C ATOM 1113 O PRO A 75 35.926 -1.240 5.748 1.00 61.24 O ATOM 1114 CB PRO A 75 34.024 0.640 4.975 1.00 64.30 C ATOM 1115 CG PRO A 75 34.973 1.255 4.005 1.00 3.03 C ATOM 1116 CD PRO A 75 35.677 2.353 4.754 1.00 33.02 C ATOM 0 HA PRO A 75 34.042 0.896 7.168 1.00 11.42 H new ATOM 0 HB2 PRO A 75 33.818 -0.400 4.722 1.00 64.30 H new ATOM 0 HB3 PRO A 75 33.067 1.163 4.979 1.00 64.30 H new ATOM 0 HG2 PRO A 75 35.685 0.517 3.634 1.00 3.03 H new ATOM 0 HG3 PRO A 75 34.443 1.651 3.139 1.00 3.03 H new ATOM 0 HD2 PRO A 75 36.704 2.478 4.412 1.00 33.02 H new ATOM 0 HD3 PRO A 75 35.178 3.313 4.622 1.00 33.02 H new ATOM 1124 N ILE A 76 35.624 -0.823 7.938 1.00 32.44 N ATOM 1125 CA ILE A 76 36.326 -2.024 8.375 1.00 15.03 C ATOM 1126 C ILE A 76 35.741 -2.559 9.678 1.00 4.44 C ATOM 1127 O ILE A 76 35.316 -1.790 10.541 1.00 33.42 O ATOM 1128 CB ILE A 76 37.830 -1.757 8.571 1.00 14.04 C ATOM 1129 CG1 ILE A 76 38.418 -1.090 7.327 1.00 40.15 C ATOM 1130 CG2 ILE A 76 38.562 -3.054 8.880 1.00 30.31 C ATOM 1131 CD1 ILE A 76 39.881 -0.731 7.468 1.00 54.24 C ATOM 0 H ILE A 76 35.263 -0.246 8.697 1.00 32.44 H new ATOM 0 HA ILE A 76 36.197 -2.769 7.589 1.00 15.03 H new ATOM 0 HB ILE A 76 37.957 -1.081 9.416 1.00 14.04 H new ATOM 0 HG12 ILE A 76 38.297 -1.759 6.475 1.00 40.15 H new ATOM 0 HG13 ILE A 76 37.850 -0.186 7.106 1.00 40.15 H new ATOM 0 HG21 ILE A 76 39.624 -2.849 9.016 1.00 30.31 H new ATOM 0 HG22 ILE A 76 38.157 -3.492 9.793 1.00 30.31 H new ATOM 0 HG23 ILE A 76 38.430 -3.752 8.053 1.00 30.31 H new ATOM 0 HD11 ILE A 76 40.231 -0.262 6.548 1.00 54.24 H new ATOM 0 HD12 ILE A 76 40.007 -0.038 8.300 1.00 54.24 H new ATOM 0 HD13 ILE A 76 40.461 -1.634 7.658 1.00 54.24 H new ATOM 1143 N ASP A 77 35.726 -3.880 9.815 1.00 11.11 N ATOM 1144 CA ASP A 77 35.197 -4.518 11.015 1.00 72.43 C ATOM 1145 C ASP A 77 36.325 -5.085 11.871 1.00 32.12 C ATOM 1146 O ASP A 77 36.708 -6.245 11.721 1.00 40.44 O ATOM 1147 CB ASP A 77 34.218 -5.631 10.637 1.00 62.45 C ATOM 1148 CG ASP A 77 34.780 -6.562 9.580 1.00 24.33 C ATOM 1149 OD1 ASP A 77 34.783 -6.179 8.392 1.00 72.05 O ATOM 1150 OD2 ASP A 77 35.219 -7.674 9.942 1.00 11.15 O ATOM 0 H ASP A 77 36.074 -4.530 9.110 1.00 11.11 H new ATOM 0 HA ASP A 77 34.669 -3.762 11.596 1.00 72.43 H new ATOM 0 HB2 ASP A 77 33.966 -6.207 11.527 1.00 62.45 H new ATOM 0 HB3 ASP A 77 33.292 -5.188 10.271 1.00 62.45 H new ATOM 1155 N GLU A 78 36.852 -4.258 12.769 1.00 62.43 N ATOM 1156 CA GLU A 78 37.938 -4.678 13.647 1.00 12.34 C ATOM 1157 C GLU A 78 38.352 -3.543 14.580 1.00 42.12 C ATOM 1158 O GLU A 78 37.935 -2.397 14.407 1.00 71.22 O ATOM 1159 CB GLU A 78 39.141 -5.140 12.823 1.00 30.52 C ATOM 1160 CG GLU A 78 39.346 -6.646 12.839 1.00 44.15 C ATOM 1161 CD GLU A 78 40.674 -7.047 13.451 1.00 22.32 C ATOM 1162 OE1 GLU A 78 40.949 -6.629 14.595 1.00 5.04 O ATOM 1163 OE2 GLU A 78 41.438 -7.779 12.787 1.00 13.21 O ATOM 0 H GLU A 78 36.545 -3.295 12.907 1.00 62.43 H new ATOM 0 HA GLU A 78 37.580 -5.511 14.252 1.00 12.34 H new ATOM 0 HB2 GLU A 78 39.013 -4.810 11.792 1.00 30.52 H new ATOM 0 HB3 GLU A 78 40.040 -4.655 13.204 1.00 30.52 H new ATOM 0 HG2 GLU A 78 38.536 -7.113 13.399 1.00 44.15 H new ATOM 0 HG3 GLU A 78 39.290 -7.027 11.819 1.00 44.15 H new ATOM 1170 N THR A 79 39.176 -3.870 15.570 1.00 4.24 N ATOM 1171 CA THR A 79 39.647 -2.880 16.532 1.00 75.34 C ATOM 1172 C THR A 79 41.159 -2.708 16.448 1.00 52.20 C ATOM 1173 O THR A 79 41.792 -2.222 17.386 1.00 53.13 O ATOM 1174 CB THR A 79 39.265 -3.270 17.972 1.00 74.51 C ATOM 1175 OG1 THR A 79 39.523 -2.178 18.860 1.00 13.53 O ATOM 1176 CG2 THR A 79 40.045 -4.495 18.426 1.00 50.11 C ATOM 0 H THR A 79 39.532 -4.813 15.727 1.00 4.24 H new ATOM 0 HA THR A 79 39.162 -1.937 16.278 1.00 75.34 H new ATOM 0 HB THR A 79 38.202 -3.509 17.990 1.00 74.51 H new ATOM 0 HG1 THR A 79 40.452 -1.884 18.755 1.00 13.53 H new ATOM 0 HG21 THR A 79 39.758 -4.751 19.446 1.00 50.11 H new ATOM 0 HG22 THR A 79 39.823 -5.333 17.765 1.00 50.11 H new ATOM 0 HG23 THR A 79 41.113 -4.279 18.393 1.00 50.11 H new ATOM 1184 N LYS A 80 41.734 -3.108 15.319 1.00 53.01 N ATOM 1185 CA LYS A 80 43.173 -2.996 15.111 1.00 74.10 C ATOM 1186 C LYS A 80 43.488 -1.969 14.028 1.00 15.34 C ATOM 1187 O LYS A 80 44.410 -1.165 14.169 1.00 23.33 O ATOM 1188 CB LYS A 80 43.760 -4.356 14.725 1.00 1.52 C ATOM 1189 CG LYS A 80 43.673 -5.392 15.832 1.00 3.23 C ATOM 1190 CD LYS A 80 44.420 -4.942 17.077 1.00 13.10 C ATOM 1191 CE LYS A 80 45.041 -6.120 17.811 1.00 61.52 C ATOM 1192 NZ LYS A 80 46.526 -6.019 17.866 1.00 73.10 N ATOM 0 H LYS A 80 41.225 -3.513 14.533 1.00 53.01 H new ATOM 0 HA LYS A 80 43.625 -2.663 16.045 1.00 74.10 H new ATOM 0 HB2 LYS A 80 43.237 -4.732 13.845 1.00 1.52 H new ATOM 0 HB3 LYS A 80 44.805 -4.225 14.443 1.00 1.52 H new ATOM 0 HG2 LYS A 80 42.627 -5.574 16.080 1.00 3.23 H new ATOM 0 HG3 LYS A 80 44.086 -6.337 15.480 1.00 3.23 H new ATOM 0 HD2 LYS A 80 45.200 -4.234 16.798 1.00 13.10 H new ATOM 0 HD3 LYS A 80 43.736 -4.417 17.743 1.00 13.10 H new ATOM 0 HE2 LYS A 80 44.642 -6.167 18.824 1.00 61.52 H new ATOM 0 HE3 LYS A 80 44.758 -7.048 17.314 1.00 61.52 H new ATOM 0 HZ1 LYS A 80 46.911 -6.841 18.374 1.00 73.10 H new ATOM 0 HZ2 LYS A 80 46.909 -5.999 16.899 1.00 73.10 H new ATOM 0 HZ3 LYS A 80 46.796 -5.146 18.363 1.00 73.10 H new ATOM 1206 N THR A 81 42.714 -1.998 12.947 1.00 22.44 N ATOM 1207 CA THR A 81 42.911 -1.070 11.841 1.00 15.14 C ATOM 1208 C THR A 81 42.737 0.374 12.298 1.00 31.02 C ATOM 1209 O THR A 81 43.647 1.197 12.194 1.00 33.14 O ATOM 1210 CB THR A 81 41.929 -1.353 10.689 1.00 74.41 C ATOM 1211 OG1 THR A 81 41.094 -2.469 11.020 1.00 52.23 O ATOM 1212 CG2 THR A 81 42.679 -1.641 9.397 1.00 11.51 C ATOM 0 H THR A 81 41.945 -2.655 12.815 1.00 22.44 H new ATOM 0 HA THR A 81 43.931 -1.215 11.484 1.00 15.14 H new ATOM 0 HB THR A 81 41.311 -0.467 10.542 1.00 74.41 H new ATOM 0 HG1 THR A 81 41.332 -3.234 10.456 1.00 52.23 H new ATOM 0 HG21 THR A 81 41.965 -1.838 8.598 1.00 11.51 H new ATOM 0 HG22 THR A 81 43.292 -0.779 9.132 1.00 11.51 H new ATOM 0 HG23 THR A 81 43.319 -2.513 9.534 1.00 11.51 H new ATOM 1220 N PRO A 82 41.542 0.692 12.817 1.00 34.42 N ATOM 1221 CA PRO A 82 41.221 2.038 13.302 1.00 64.52 C ATOM 1222 C PRO A 82 41.978 2.390 14.578 1.00 64.33 C ATOM 1223 O PRO A 82 42.144 3.564 14.908 1.00 72.55 O ATOM 1224 CB PRO A 82 39.717 1.968 13.575 1.00 72.43 C ATOM 1225 CG PRO A 82 39.445 0.526 13.834 1.00 25.02 C ATOM 1226 CD PRO A 82 40.411 -0.239 12.971 1.00 12.15 C ATOM 0 HA PRO A 82 41.502 2.808 12.583 1.00 64.52 H new ATOM 0 HB2 PRO A 82 39.441 2.583 14.432 1.00 72.43 H new ATOM 0 HB3 PRO A 82 39.143 2.332 12.723 1.00 72.43 H new ATOM 0 HG2 PRO A 82 39.587 0.285 14.887 1.00 25.02 H new ATOM 0 HG3 PRO A 82 38.414 0.272 13.586 1.00 25.02 H new ATOM 0 HD2 PRO A 82 40.720 -1.172 13.443 1.00 12.15 H new ATOM 0 HD3 PRO A 82 39.971 -0.499 12.008 1.00 12.15 H new ATOM 1234 N GLU A 83 42.436 1.365 15.291 1.00 41.33 N ATOM 1235 CA GLU A 83 43.176 1.568 16.531 1.00 54.50 C ATOM 1236 C GLU A 83 44.576 2.104 16.248 1.00 40.41 C ATOM 1237 O GLU A 83 44.986 3.122 16.806 1.00 63.35 O ATOM 1238 CB GLU A 83 43.268 0.258 17.316 1.00 0.42 C ATOM 1239 CG GLU A 83 44.546 0.124 18.127 1.00 32.13 C ATOM 1240 CD GLU A 83 44.573 -1.138 18.967 1.00 25.50 C ATOM 1241 OE1 GLU A 83 44.144 -2.197 18.463 1.00 52.23 O ATOM 1242 OE2 GLU A 83 45.026 -1.067 20.129 1.00 35.31 O ATOM 0 H GLU A 83 42.308 0.387 15.031 1.00 41.33 H new ATOM 0 HA GLU A 83 42.638 2.304 17.129 1.00 54.50 H new ATOM 0 HB2 GLU A 83 42.412 0.185 17.987 1.00 0.42 H new ATOM 0 HB3 GLU A 83 43.199 -0.578 16.620 1.00 0.42 H new ATOM 0 HG2 GLU A 83 45.402 0.125 17.452 1.00 32.13 H new ATOM 0 HG3 GLU A 83 44.652 0.992 18.778 1.00 32.13 H new ATOM 1249 N GLU A 84 45.304 1.411 15.378 1.00 50.20 N ATOM 1250 CA GLU A 84 46.659 1.817 15.022 1.00 33.31 C ATOM 1251 C GLU A 84 46.637 3.000 14.058 1.00 21.52 C ATOM 1252 O GLU A 84 47.599 3.765 13.975 1.00 72.35 O ATOM 1253 CB GLU A 84 47.417 0.646 14.393 1.00 33.11 C ATOM 1254 CG GLU A 84 47.099 0.435 12.922 1.00 31.23 C ATOM 1255 CD GLU A 84 47.570 -0.913 12.411 1.00 14.03 C ATOM 1256 OE1 GLU A 84 48.225 -1.645 13.182 1.00 12.43 O ATOM 1257 OE2 GLU A 84 47.282 -1.236 11.240 1.00 50.24 O ATOM 0 H GLU A 84 44.979 0.567 14.907 1.00 50.20 H new ATOM 0 HA GLU A 84 47.171 2.124 15.934 1.00 33.31 H new ATOM 0 HB2 GLU A 84 48.488 0.816 14.504 1.00 33.11 H new ATOM 0 HB3 GLU A 84 47.180 -0.266 14.942 1.00 33.11 H new ATOM 0 HG2 GLU A 84 46.023 0.521 12.771 1.00 31.23 H new ATOM 0 HG3 GLU A 84 47.567 1.226 12.336 1.00 31.23 H new ATOM 1264 N LEU A 85 45.534 3.143 13.332 1.00 61.22 N ATOM 1265 CA LEU A 85 45.386 4.232 12.372 1.00 31.25 C ATOM 1266 C LEU A 85 45.014 5.532 13.078 1.00 75.01 C ATOM 1267 O LEU A 85 45.417 6.616 12.658 1.00 71.42 O ATOM 1268 CB LEU A 85 44.321 3.880 11.332 1.00 64.21 C ATOM 1269 CG LEU A 85 44.096 4.912 10.226 1.00 23.14 C ATOM 1270 CD1 LEU A 85 44.166 4.252 8.858 1.00 43.11 C ATOM 1271 CD2 LEU A 85 42.759 5.612 10.415 1.00 54.30 C ATOM 0 H LEU A 85 44.729 2.519 13.389 1.00 61.22 H new ATOM 0 HA LEU A 85 46.343 4.374 11.869 1.00 31.25 H new ATOM 0 HB2 LEU A 85 44.595 2.933 10.867 1.00 64.21 H new ATOM 0 HB3 LEU A 85 43.375 3.720 11.850 1.00 64.21 H new ATOM 0 HG LEU A 85 44.887 5.660 10.286 1.00 23.14 H new ATOM 0 HD11 LEU A 85 44.004 5.002 8.084 1.00 43.11 H new ATOM 0 HD12 LEU A 85 45.148 3.798 8.723 1.00 43.11 H new ATOM 0 HD13 LEU A 85 43.397 3.483 8.785 1.00 43.11 H new ATOM 0 HD21 LEU A 85 42.615 6.343 9.619 1.00 54.30 H new ATOM 0 HD22 LEU A 85 41.955 4.876 10.382 1.00 54.30 H new ATOM 0 HD23 LEU A 85 42.747 6.119 11.380 1.00 54.30 H new ATOM 1283 N GLY A 86 44.242 5.415 14.155 1.00 42.33 N ATOM 1284 CA GLY A 86 43.830 6.589 14.903 1.00 61.34 C ATOM 1285 C GLY A 86 44.811 6.951 16.000 1.00 31.53 C ATOM 1286 O GLY A 86 45.198 8.111 16.138 1.00 32.53 O ATOM 0 H GLY A 86 43.895 4.529 14.522 1.00 42.33 H new ATOM 0 HA2 GLY A 86 43.725 7.432 14.221 1.00 61.34 H new ATOM 0 HA3 GLY A 86 42.848 6.410 15.342 1.00 61.34 H new ATOM 1290 N MET A 87 45.213 5.955 16.784 1.00 13.43 N ATOM 1291 CA MET A 87 46.154 6.176 17.876 1.00 21.50 C ATOM 1292 C MET A 87 45.612 7.205 18.862 1.00 0.40 C ATOM 1293 O MET A 87 46.377 7.921 19.508 1.00 14.00 O ATOM 1294 CB MET A 87 47.505 6.639 17.327 1.00 11.33 C ATOM 1295 CG MET A 87 48.163 5.630 16.401 1.00 42.14 C ATOM 1296 SD MET A 87 49.648 4.897 17.114 1.00 33.23 S ATOM 1297 CE MET A 87 50.425 4.215 15.652 1.00 44.32 C ATOM 0 H MET A 87 44.902 4.989 16.683 1.00 13.43 H new ATOM 0 HA MET A 87 46.289 5.231 18.403 1.00 21.50 H new ATOM 0 HB2 MET A 87 47.367 7.577 16.789 1.00 11.33 H new ATOM 0 HB3 MET A 87 48.175 6.845 18.161 1.00 11.33 H new ATOM 0 HG2 MET A 87 47.450 4.840 16.166 1.00 42.14 H new ATOM 0 HG3 MET A 87 48.419 6.119 15.461 1.00 42.14 H new ATOM 0 HE1 MET A 87 51.400 3.805 15.916 1.00 44.32 H new ATOM 0 HE2 MET A 87 49.797 3.424 15.242 1.00 44.32 H new ATOM 0 HE3 MET A 87 50.552 5.001 14.907 1.00 44.32 H new ATOM 1307 N GLU A 88 44.289 7.274 18.972 1.00 51.24 N ATOM 1308 CA GLU A 88 43.646 8.218 19.879 1.00 43.04 C ATOM 1309 C GLU A 88 42.556 7.531 20.696 1.00 24.22 C ATOM 1310 O GLU A 88 42.230 6.367 20.462 1.00 64.12 O ATOM 1311 CB GLU A 88 43.049 9.388 19.094 1.00 62.14 C ATOM 1312 CG GLU A 88 42.171 8.956 17.931 1.00 31.24 C ATOM 1313 CD GLU A 88 41.696 10.126 17.092 1.00 4.32 C ATOM 1314 OE1 GLU A 88 41.949 11.283 17.489 1.00 31.24 O ATOM 1315 OE2 GLU A 88 41.072 9.885 16.038 1.00 64.14 O ATOM 0 H GLU A 88 43.642 6.688 18.445 1.00 51.24 H new ATOM 0 HA GLU A 88 44.404 8.598 20.564 1.00 43.04 H new ATOM 0 HB2 GLU A 88 42.461 10.007 19.772 1.00 62.14 H new ATOM 0 HB3 GLU A 88 43.859 10.011 18.715 1.00 62.14 H new ATOM 0 HG2 GLU A 88 42.726 8.263 17.299 1.00 31.24 H new ATOM 0 HG3 GLU A 88 41.306 8.415 18.315 1.00 31.24 H new ATOM 1322 N ASP A 89 41.998 8.259 21.656 1.00 14.13 N ATOM 1323 CA ASP A 89 40.944 7.721 22.509 1.00 0.11 C ATOM 1324 C ASP A 89 39.573 8.212 22.054 1.00 21.23 C ATOM 1325 O ASP A 89 38.594 8.123 22.795 1.00 73.51 O ATOM 1326 CB ASP A 89 41.185 8.119 23.966 1.00 14.51 C ATOM 1327 CG ASP A 89 41.609 9.568 24.108 1.00 63.13 C ATOM 1328 OD1 ASP A 89 40.829 10.456 23.707 1.00 12.40 O ATOM 1329 OD2 ASP A 89 42.722 9.813 24.618 1.00 5.03 O ATOM 0 H ASP A 89 42.257 9.223 21.864 1.00 14.13 H new ATOM 0 HA ASP A 89 40.965 6.634 22.429 1.00 0.11 H new ATOM 0 HB2 ASP A 89 40.274 7.952 24.541 1.00 14.51 H new ATOM 0 HB3 ASP A 89 41.954 7.475 24.393 1.00 14.51 H new ATOM 1334 N ASP A 90 39.512 8.731 20.833 1.00 35.21 N ATOM 1335 CA ASP A 90 38.261 9.236 20.279 1.00 13.11 C ATOM 1336 C ASP A 90 37.890 8.488 19.003 1.00 61.53 C ATOM 1337 O ASP A 90 37.467 9.092 18.017 1.00 3.31 O ATOM 1338 CB ASP A 90 38.374 10.734 19.992 1.00 14.21 C ATOM 1339 CG ASP A 90 38.347 11.570 21.257 1.00 65.40 C ATOM 1340 OD1 ASP A 90 37.726 11.129 22.247 1.00 71.12 O ATOM 1341 OD2 ASP A 90 38.949 12.664 21.257 1.00 22.44 O ATOM 0 H ASP A 90 40.314 8.813 20.208 1.00 35.21 H new ATOM 0 HA ASP A 90 37.474 9.073 21.016 1.00 13.11 H new ATOM 0 HB2 ASP A 90 39.300 10.928 19.451 1.00 14.21 H new ATOM 0 HB3 ASP A 90 37.555 11.039 19.341 1.00 14.21 H new ATOM 1346 N ASP A 91 38.052 7.169 19.028 1.00 44.32 N ATOM 1347 CA ASP A 91 37.735 6.338 17.873 1.00 70.33 C ATOM 1348 C ASP A 91 36.226 6.236 17.675 1.00 52.15 C ATOM 1349 O ASP A 91 35.509 5.728 18.537 1.00 73.04 O ATOM 1350 CB ASP A 91 38.335 4.941 18.043 1.00 53.03 C ATOM 1351 CG ASP A 91 37.769 3.943 17.051 1.00 10.42 C ATOM 1352 OD1 ASP A 91 37.380 4.365 15.942 1.00 11.33 O ATOM 1353 OD2 ASP A 91 37.714 2.741 17.384 1.00 25.14 O ATOM 0 H ASP A 91 38.401 6.653 19.836 1.00 44.32 H new ATOM 0 HA ASP A 91 38.169 6.806 16.989 1.00 70.33 H new ATOM 0 HB2 ASP A 91 39.417 4.996 17.921 1.00 53.03 H new ATOM 0 HB3 ASP A 91 38.146 4.588 19.057 1.00 53.03 H new ATOM 1358 N VAL A 92 35.750 6.724 16.533 1.00 13.14 N ATOM 1359 CA VAL A 92 34.326 6.688 16.222 1.00 52.43 C ATOM 1360 C VAL A 92 34.026 5.661 15.136 1.00 25.53 C ATOM 1361 O VAL A 92 34.885 5.346 14.312 1.00 62.51 O ATOM 1362 CB VAL A 92 33.817 8.068 15.762 1.00 62.54 C ATOM 1363 CG1 VAL A 92 34.357 9.165 16.666 1.00 30.11 C ATOM 1364 CG2 VAL A 92 34.204 8.321 14.312 1.00 2.35 C ATOM 0 H VAL A 92 36.330 7.148 15.809 1.00 13.14 H new ATOM 0 HA VAL A 92 33.809 6.405 17.139 1.00 52.43 H new ATOM 0 HB VAL A 92 32.729 8.077 15.831 1.00 62.54 H new ATOM 0 HG11 VAL A 92 33.987 10.132 16.326 1.00 30.11 H new ATOM 0 HG12 VAL A 92 34.025 8.989 17.689 1.00 30.11 H new ATOM 0 HG13 VAL A 92 35.446 9.161 16.632 1.00 30.11 H new ATOM 0 HG21 VAL A 92 33.837 9.300 14.003 1.00 2.35 H new ATOM 0 HG22 VAL A 92 35.289 8.293 14.215 1.00 2.35 H new ATOM 0 HG23 VAL A 92 33.763 7.551 13.678 1.00 2.35 H new ATOM 1374 N ILE A 93 32.803 5.141 15.142 1.00 43.51 N ATOM 1375 CA ILE A 93 32.390 4.150 14.157 1.00 42.15 C ATOM 1376 C ILE A 93 30.893 4.238 13.883 1.00 53.14 C ATOM 1377 O ILE A 93 30.087 4.339 14.808 1.00 72.11 O ATOM 1378 CB ILE A 93 32.733 2.721 14.618 1.00 42.24 C ATOM 1379 CG1 ILE A 93 32.742 1.765 13.423 1.00 34.34 C ATOM 1380 CG2 ILE A 93 31.741 2.252 15.672 1.00 43.34 C ATOM 1381 CD1 ILE A 93 33.973 1.894 12.555 1.00 62.43 C ATOM 0 H ILE A 93 32.081 5.390 15.818 1.00 43.51 H new ATOM 0 HA ILE A 93 32.938 4.369 13.241 1.00 42.15 H new ATOM 0 HB ILE A 93 33.728 2.727 15.062 1.00 42.24 H new ATOM 0 HG12 ILE A 93 32.670 0.740 13.787 1.00 34.34 H new ATOM 0 HG13 ILE A 93 31.857 1.949 12.814 1.00 34.34 H new ATOM 0 HG21 ILE A 93 31.997 1.241 15.988 1.00 43.34 H new ATOM 0 HG22 ILE A 93 31.780 2.921 16.532 1.00 43.34 H new ATOM 0 HG23 ILE A 93 30.735 2.258 15.253 1.00 43.34 H new ATOM 0 HD11 ILE A 93 33.911 1.187 11.728 1.00 62.43 H new ATOM 0 HD12 ILE A 93 34.036 2.908 12.161 1.00 62.43 H new ATOM 0 HD13 ILE A 93 34.861 1.680 13.149 1.00 62.43 H new ATOM 1393 N ASP A 94 30.527 4.198 12.606 1.00 21.31 N ATOM 1394 CA ASP A 94 29.126 4.270 12.210 1.00 74.15 C ATOM 1395 C ASP A 94 28.655 2.939 11.631 1.00 22.13 C ATOM 1396 O ASP A 94 29.258 2.409 10.698 1.00 34.23 O ATOM 1397 CB ASP A 94 28.920 5.386 11.185 1.00 44.45 C ATOM 1398 CG ASP A 94 28.009 6.484 11.698 1.00 31.42 C ATOM 1399 OD1 ASP A 94 26.866 6.170 12.090 1.00 31.55 O ATOM 1400 OD2 ASP A 94 28.438 7.656 11.707 1.00 3.52 O ATOM 0 H ASP A 94 31.181 4.116 11.828 1.00 21.31 H new ATOM 0 HA ASP A 94 28.534 4.489 13.099 1.00 74.15 H new ATOM 0 HB2 ASP A 94 29.887 5.814 10.920 1.00 44.45 H new ATOM 0 HB3 ASP A 94 28.497 4.964 10.273 1.00 44.45 H new ATOM 1405 N ALA A 95 27.576 2.404 12.193 1.00 51.12 N ATOM 1406 CA ALA A 95 27.024 1.136 11.732 1.00 23.25 C ATOM 1407 C ALA A 95 25.809 1.358 10.839 1.00 33.20 C ATOM 1408 O ALA A 95 24.710 1.623 11.325 1.00 33.22 O ATOM 1409 CB ALA A 95 26.656 0.259 12.920 1.00 70.42 C ATOM 0 H ALA A 95 27.067 2.829 12.968 1.00 51.12 H new ATOM 0 HA ALA A 95 27.787 0.629 11.142 1.00 23.25 H new ATOM 0 HB1 ALA A 95 26.245 -0.685 12.562 1.00 70.42 H new ATOM 0 HB2 ALA A 95 27.546 0.064 13.518 1.00 70.42 H new ATOM 0 HB3 ALA A 95 25.913 0.769 13.533 1.00 70.42 H new ATOM 1415 N MET A 96 26.014 1.249 9.531 1.00 60.45 N ATOM 1416 CA MET A 96 24.933 1.437 8.569 1.00 5.25 C ATOM 1417 C MET A 96 24.261 0.108 8.239 1.00 4.34 C ATOM 1418 O MET A 96 24.879 -0.952 8.338 1.00 35.34 O ATOM 1419 CB MET A 96 25.467 2.084 7.290 1.00 64.21 C ATOM 1420 CG MET A 96 24.892 3.465 7.021 1.00 21.20 C ATOM 1421 SD MET A 96 24.276 3.645 5.336 1.00 21.30 S ATOM 1422 CE MET A 96 24.216 5.429 5.186 1.00 34.52 C ATOM 0 H MET A 96 26.918 1.032 9.112 1.00 60.45 H new ATOM 0 HA MET A 96 24.191 2.097 9.019 1.00 5.25 H new ATOM 0 HB2 MET A 96 26.552 2.158 7.356 1.00 64.21 H new ATOM 0 HB3 MET A 96 25.243 1.435 6.443 1.00 64.21 H new ATOM 0 HG2 MET A 96 24.081 3.660 7.723 1.00 21.20 H new ATOM 0 HG3 MET A 96 25.660 4.216 7.205 1.00 21.20 H new ATOM 0 HE1 MET A 96 23.853 5.699 4.194 1.00 34.52 H new ATOM 0 HE2 MET A 96 23.543 5.835 5.942 1.00 34.52 H new ATOM 0 HE3 MET A 96 25.215 5.840 5.331 1.00 34.52 H new ATOM 1432 N VAL A 97 22.993 0.173 7.847 1.00 70.00 N ATOM 1433 CA VAL A 97 22.238 -1.025 7.502 1.00 75.34 C ATOM 1434 C VAL A 97 21.694 -0.942 6.080 1.00 45.35 C ATOM 1435 O VAL A 97 21.220 0.108 5.647 1.00 11.01 O ATOM 1436 CB VAL A 97 21.065 -1.249 8.475 1.00 71.52 C ATOM 1437 CG1 VAL A 97 21.581 -1.515 9.881 1.00 40.12 C ATOM 1438 CG2 VAL A 97 20.125 -0.054 8.460 1.00 53.30 C ATOM 0 H VAL A 97 22.467 1.043 7.760 1.00 70.00 H new ATOM 0 HA VAL A 97 22.928 -1.865 7.576 1.00 75.34 H new ATOM 0 HB VAL A 97 20.506 -2.125 8.147 1.00 71.52 H new ATOM 0 HG11 VAL A 97 20.738 -1.671 10.554 1.00 40.12 H new ATOM 0 HG12 VAL A 97 22.210 -2.405 9.875 1.00 40.12 H new ATOM 0 HG13 VAL A 97 22.165 -0.660 10.222 1.00 40.12 H new ATOM 0 HG21 VAL A 97 19.302 -0.230 9.153 1.00 53.30 H new ATOM 0 HG22 VAL A 97 20.669 0.841 8.762 1.00 53.30 H new ATOM 0 HG23 VAL A 97 19.729 0.085 7.454 1.00 53.30 H new ATOM 1448 N GLU A 98 21.768 -2.056 5.357 1.00 14.55 N ATOM 1449 CA GLU A 98 21.283 -2.107 3.983 1.00 21.31 C ATOM 1450 C GLU A 98 20.134 -3.103 3.848 1.00 4.23 C ATOM 1451 O GLU A 98 20.195 -4.029 3.040 1.00 54.20 O ATOM 1452 CB GLU A 98 22.419 -2.491 3.033 1.00 41.25 C ATOM 1453 CG GLU A 98 23.556 -1.483 3.005 1.00 70.12 C ATOM 1454 CD GLU A 98 24.684 -1.901 2.082 1.00 71.42 C ATOM 1455 OE1 GLU A 98 24.620 -3.024 1.539 1.00 21.52 O ATOM 1456 OE2 GLU A 98 25.630 -1.107 1.902 1.00 0.51 O ATOM 0 H GLU A 98 22.159 -2.934 5.700 1.00 14.55 H new ATOM 0 HA GLU A 98 20.915 -1.116 3.717 1.00 21.31 H new ATOM 0 HB2 GLU A 98 22.814 -3.464 3.327 1.00 41.25 H new ATOM 0 HB3 GLU A 98 22.017 -2.601 2.026 1.00 41.25 H new ATOM 0 HG2 GLU A 98 23.170 -0.515 2.686 1.00 70.12 H new ATOM 0 HG3 GLU A 98 23.947 -1.353 4.014 1.00 70.12 H new ATOM 1463 N GLN A 99 19.090 -2.904 4.646 1.00 23.24 N ATOM 1464 CA GLN A 99 17.929 -3.785 4.617 1.00 33.01 C ATOM 1465 C GLN A 99 16.984 -3.403 3.482 1.00 24.10 C ATOM 1466 O GLN A 99 16.864 -2.230 3.128 1.00 42.24 O ATOM 1467 CB GLN A 99 17.187 -3.730 5.954 1.00 71.22 C ATOM 1468 CG GLN A 99 17.381 -4.972 6.809 1.00 44.21 C ATOM 1469 CD GLN A 99 16.135 -5.831 6.882 1.00 72.30 C ATOM 1470 OE1 GLN A 99 15.913 -6.696 6.034 1.00 34.33 O ATOM 1471 NE2 GLN A 99 15.313 -5.597 7.898 1.00 31.54 N ATOM 0 H GLN A 99 19.024 -2.141 5.320 1.00 23.24 H new ATOM 0 HA GLN A 99 18.281 -4.802 4.446 1.00 33.01 H new ATOM 0 HB2 GLN A 99 17.526 -2.858 6.513 1.00 71.22 H new ATOM 0 HB3 GLN A 99 16.123 -3.592 5.764 1.00 71.22 H new ATOM 0 HG2 GLN A 99 18.202 -5.563 6.403 1.00 44.21 H new ATOM 0 HG3 GLN A 99 17.671 -4.673 7.816 1.00 44.21 H new ATOM 0 HE21 GLN A 99 15.536 -4.870 8.578 1.00 31.54 H new ATOM 0 HE22 GLN A 99 14.458 -6.144 7.999 1.00 31.54 H new ATOM 1480 N THR A 100 16.315 -4.402 2.914 1.00 43.41 N ATOM 1481 CA THR A 100 15.383 -4.171 1.818 1.00 51.11 C ATOM 1482 C THR A 100 16.065 -3.455 0.658 1.00 54.14 C ATOM 1483 O THR A 100 15.450 -2.639 -0.028 1.00 61.25 O ATOM 1484 CB THR A 100 14.170 -3.340 2.278 1.00 60.04 C ATOM 1485 OG1 THR A 100 13.912 -3.577 3.666 1.00 11.30 O ATOM 1486 CG2 THR A 100 12.935 -3.688 1.460 1.00 11.35 C ATOM 0 H THR A 100 16.402 -5.379 3.195 1.00 43.41 H new ATOM 0 HA THR A 100 15.038 -5.150 1.485 1.00 51.11 H new ATOM 0 HB THR A 100 14.401 -2.285 2.127 1.00 60.04 H new ATOM 0 HG1 THR A 100 13.141 -3.044 3.951 1.00 11.30 H new ATOM 0 HG21 THR A 100 12.091 -3.089 1.802 1.00 11.35 H new ATOM 0 HG22 THR A 100 13.125 -3.479 0.407 1.00 11.35 H new ATOM 0 HG23 THR A 100 12.703 -4.746 1.584 1.00 11.35 H new ATOM 1494 N GLY A 101 17.339 -3.766 0.443 1.00 64.02 N ATOM 1495 CA GLY A 101 18.083 -3.143 -0.636 1.00 64.34 C ATOM 1496 C GLY A 101 19.033 -4.108 -1.318 1.00 70.22 C ATOM 1497 O GLY A 101 19.989 -3.692 -1.972 1.00 34.12 O ATOM 0 H GLY A 101 17.870 -4.438 0.997 1.00 64.02 H new ATOM 0 HA2 GLY A 101 17.385 -2.744 -1.372 1.00 64.34 H new ATOM 0 HA3 GLY A 101 18.648 -2.298 -0.243 1.00 64.34 H new ATOM 1501 N GLY A 102 18.771 -5.403 -1.164 1.00 53.43 N ATOM 1502 CA GLY A 102 19.620 -6.409 -1.775 1.00 34.24 C ATOM 1503 C GLY A 102 20.958 -6.540 -1.075 1.00 61.24 C ATOM 1504 O GLY A 102 21.841 -5.700 -1.247 1.00 54.54 O ATOM 0 H GLY A 102 17.986 -5.773 -0.627 1.00 53.43 H new ATOM 0 HA2 GLY A 102 19.108 -7.371 -1.758 1.00 34.24 H new ATOM 0 HA3 GLY A 102 19.784 -6.154 -2.822 1.00 34.24 H new TER 1508 GLY A 102