USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 958 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 39 SER OG : rot -6:sc= -0.731 USER MOD Set 1.2: A 110 SER OG : rot -95:sc= 0.907 USER MOD Set 2.1: A 92 SER OG : rot -58:sc= -0.547! USER MOD Set 2.2: A 96 GLN : amide:sc= -0.105 K(o=-0.65,f=-2.1) USER MOD Set 3.1: A 81 ASN :FLIP amide:sc= -2.27! C(o=-15!,f=-10!) USER MOD Set 3.2: A 98 HIS :FLIP no HD1:sc= -9! C(o=-11!,f=-10!) USER MOD Set 3.3: A 106 TYR OH : rot 46:sc= 0.87 USER MOD Single : A 1 MET CE :methyl -172:sc= -0.0194 (180deg=-0.0895) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.08 (180deg=0.803) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 11:sc= 0.187! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 170:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= -3.13! (180deg=-3.35!) USER MOD Single : A 18 SER OG : rot 11:sc= -0.509 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 CYS SG : rot 160:sc= -1.9 USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= -0.48! (180deg=-1.16!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.743 USER MOD Single : A 56 THR OG1 : rot 111:sc= 0.144 USER MOD Single : A 59 GLN : amide:sc= -0.735 K(o=-0.74,f=-3.9!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -174:sc= 0.00243 (180deg=0.00135) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00752 USER MOD Single : A 87 THR OG1 : rot 180:sc= -2.35 USER MOD Single : A 91 MET CE :methyl -160:sc= -0.518 (180deg=-1.26) USER MOD Single : A 95 TYR OH : rot 93:sc= 0.955 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00348) USER MOD Single : A 108 THR OG1 : rot -105:sc= -0.349 USER MOD Single : A 109 TYR OH : rot 60:sc= -2.34 USER MOD Single : A 113 ASN :FLIP amide:sc= -2.7! C(o=-5.9!,f=-2.7!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.182 2.415 -0.954 1.00 74.30 N ATOM 2 CA MET A 1 -0.024 2.506 -1.827 1.00 75.42 C ATOM 3 C MET A 1 1.273 2.529 -1.017 1.00 0.33 C ATOM 4 O MET A 1 1.366 3.227 -0.008 1.00 22.53 O ATOM 5 CB MET A 1 -0.121 3.777 -2.673 1.00 74.32 C ATOM 6 CG MET A 1 -0.913 3.521 -3.958 1.00 4.33 C ATOM 7 SD MET A 1 -2.631 3.236 -3.569 1.00 73.15 S ATOM 8 CE MET A 1 -2.728 1.478 -3.866 1.00 54.43 C ATOM 0 H1 MET A 1 -2.044 2.621 -1.498 1.00 74.30 H new ATOM 0 H2 MET A 1 -1.244 1.455 -0.558 1.00 74.30 H new ATOM 0 H3 MET A 1 -1.088 3.104 -0.180 1.00 74.30 H new ATOM 0 HA MET A 1 -0.010 1.629 -2.474 1.00 75.42 H new ATOM 0 HB2 MET A 1 -0.602 4.566 -2.096 1.00 74.32 H new ATOM 0 HB3 MET A 1 0.880 4.130 -2.922 1.00 74.32 H new ATOM 0 HG2 MET A 1 -0.820 4.375 -4.628 1.00 4.33 H new ATOM 0 HG3 MET A 1 -0.502 2.658 -4.482 1.00 4.33 H new ATOM 0 HE1 MET A 1 -3.768 1.156 -3.808 1.00 54.43 H new ATOM 0 HE2 MET A 1 -2.334 1.254 -4.857 1.00 54.43 H new ATOM 0 HE3 MET A 1 -2.142 0.949 -3.114 1.00 54.43 H new ATOM 18 N LYS A 2 2.242 1.759 -1.489 1.00 21.24 N ATOM 19 CA LYS A 2 3.530 1.683 -0.820 1.00 61.33 C ATOM 20 C LYS A 2 4.427 2.817 -1.320 1.00 61.11 C ATOM 21 O LYS A 2 4.805 3.699 -0.551 1.00 11.22 O ATOM 22 CB LYS A 2 4.143 0.292 -0.995 1.00 31.41 C ATOM 23 CG LYS A 2 3.321 -0.766 -0.255 1.00 64.21 C ATOM 24 CD LYS A 2 3.651 -0.770 1.239 1.00 14.11 C ATOM 25 CE LYS A 2 4.847 -1.677 1.535 1.00 75.23 C ATOM 26 NZ LYS A 2 5.384 -1.403 2.886 1.00 14.33 N ATOM 0 H LYS A 2 2.161 1.182 -2.326 1.00 21.24 H new ATOM 0 HA LYS A 2 3.410 1.821 0.255 1.00 61.33 H new ATOM 0 HB2 LYS A 2 4.193 0.043 -2.055 1.00 31.41 H new ATOM 0 HB3 LYS A 2 5.166 0.291 -0.619 1.00 31.41 H new ATOM 0 HG2 LYS A 2 2.258 -0.570 -0.396 1.00 64.21 H new ATOM 0 HG3 LYS A 2 3.523 -1.750 -0.678 1.00 64.21 H new ATOM 0 HD2 LYS A 2 3.870 0.245 1.569 1.00 14.11 H new ATOM 0 HD3 LYS A 2 2.784 -1.109 1.806 1.00 14.11 H new ATOM 0 HE2 LYS A 2 4.545 -2.722 1.462 1.00 75.23 H new ATOM 0 HE3 LYS A 2 5.625 -1.517 0.789 1.00 75.23 H new ATOM 0 HZ1 LYS A 2 6.195 -2.027 3.070 1.00 14.33 H new ATOM 0 HZ2 LYS A 2 5.691 -0.411 2.943 1.00 14.33 H new ATOM 0 HZ3 LYS A 2 4.644 -1.578 3.596 1.00 14.33 H new ATOM 39 N SER A 3 4.742 2.757 -2.606 1.00 32.24 N ATOM 40 CA SER A 3 5.587 3.768 -3.217 1.00 63.03 C ATOM 41 C SER A 3 4.760 4.637 -4.167 1.00 2.35 C ATOM 42 O SER A 3 3.648 4.269 -4.540 1.00 54.43 O ATOM 43 CB SER A 3 6.757 3.128 -3.967 1.00 70.33 C ATOM 44 OG SER A 3 6.316 2.326 -5.060 1.00 51.41 O ATOM 0 H SER A 3 4.427 2.024 -3.241 1.00 32.24 H new ATOM 0 HA SER A 3 5.997 4.395 -2.425 1.00 63.03 H new ATOM 0 HB2 SER A 3 7.422 3.909 -4.336 1.00 70.33 H new ATOM 0 HB3 SER A 3 7.337 2.514 -3.278 1.00 70.33 H new ATOM 0 HG SER A 3 7.092 1.937 -5.514 1.00 51.41 H new ATOM 50 N THR A 4 5.336 5.774 -4.529 1.00 53.22 N ATOM 51 CA THR A 4 4.666 6.699 -5.428 1.00 33.12 C ATOM 52 C THR A 4 5.512 6.933 -6.681 1.00 21.34 C ATOM 53 O THR A 4 5.083 7.623 -7.604 1.00 3.21 O ATOM 54 CB THR A 4 4.366 7.981 -4.649 1.00 12.20 C ATOM 55 OG1 THR A 4 4.253 8.982 -5.657 1.00 64.44 O ATOM 56 CG2 THR A 4 5.552 8.441 -3.799 1.00 32.24 C ATOM 0 H THR A 4 6.259 6.076 -4.216 1.00 53.22 H new ATOM 0 HA THR A 4 3.721 6.289 -5.785 1.00 33.12 H new ATOM 0 HB THR A 4 3.500 7.821 -4.007 1.00 12.20 H new ATOM 0 HG1 THR A 4 4.216 8.556 -6.539 1.00 64.44 H new ATOM 0 HG21 THR A 4 5.286 9.354 -3.267 1.00 32.24 H new ATOM 0 HG22 THR A 4 5.807 7.663 -3.079 1.00 32.24 H new ATOM 0 HG23 THR A 4 6.409 8.634 -4.444 1.00 32.24 H new ATOM 64 N PHE A 5 6.699 6.344 -6.672 1.00 40.22 N ATOM 65 CA PHE A 5 7.610 6.480 -7.797 1.00 35.35 C ATOM 66 C PHE A 5 7.020 5.847 -9.059 1.00 22.12 C ATOM 67 O PHE A 5 6.517 6.550 -9.933 1.00 51.43 O ATOM 68 CB PHE A 5 8.895 5.740 -7.422 1.00 45.13 C ATOM 69 CG PHE A 5 9.847 6.553 -6.542 1.00 42.12 C ATOM 70 CD1 PHE A 5 9.373 7.198 -5.443 1.00 30.12 C ATOM 71 CD2 PHE A 5 11.167 6.631 -6.859 1.00 64.35 C ATOM 72 CE1 PHE A 5 10.256 7.952 -4.626 1.00 3.30 C ATOM 73 CE2 PHE A 5 12.051 7.385 -6.043 1.00 13.13 C ATOM 74 CZ PHE A 5 11.577 8.030 -4.943 1.00 75.12 C ATOM 0 H PHE A 5 7.051 5.772 -5.904 1.00 40.22 H new ATOM 0 HA PHE A 5 7.793 7.534 -8.004 1.00 35.35 H new ATOM 0 HB2 PHE A 5 8.633 4.819 -6.902 1.00 45.13 H new ATOM 0 HB3 PHE A 5 9.417 5.453 -8.335 1.00 45.13 H new ATOM 0 HD1 PHE A 5 8.324 7.137 -5.191 1.00 30.12 H new ATOM 0 HD2 PHE A 5 11.543 6.119 -7.732 1.00 64.35 H new ATOM 0 HE1 PHE A 5 9.879 8.464 -3.753 1.00 3.30 H new ATOM 0 HE2 PHE A 5 13.099 7.446 -6.295 1.00 13.13 H new ATOM 0 HZ PHE A 5 12.249 8.604 -4.322 1.00 75.12 H new ATOM 84 N LYS A 6 7.102 4.526 -9.113 1.00 63.34 N ATOM 85 CA LYS A 6 6.583 3.790 -10.254 1.00 44.11 C ATOM 86 C LYS A 6 5.100 3.490 -10.030 1.00 21.44 C ATOM 87 O LYS A 6 4.425 2.979 -10.922 1.00 33.44 O ATOM 88 CB LYS A 6 7.430 2.544 -10.518 1.00 63.50 C ATOM 89 CG LYS A 6 7.198 2.013 -11.934 1.00 61.31 C ATOM 90 CD LYS A 6 6.218 0.838 -11.925 1.00 53.15 C ATOM 91 CE LYS A 6 6.958 -0.492 -11.774 1.00 34.51 C ATOM 92 NZ LYS A 6 6.059 -1.524 -11.208 1.00 41.34 N ATOM 0 H LYS A 6 7.520 3.946 -8.385 1.00 63.34 H new ATOM 0 HA LYS A 6 6.653 4.392 -11.160 1.00 44.11 H new ATOM 0 HB2 LYS A 6 8.485 2.782 -10.383 1.00 63.50 H new ATOM 0 HB3 LYS A 6 7.182 1.771 -9.791 1.00 63.50 H new ATOM 0 HG2 LYS A 6 6.809 2.811 -12.566 1.00 61.31 H new ATOM 0 HG3 LYS A 6 8.147 1.697 -12.368 1.00 61.31 H new ATOM 0 HD2 LYS A 6 5.508 0.958 -11.107 1.00 53.15 H new ATOM 0 HD3 LYS A 6 5.641 0.834 -12.850 1.00 53.15 H new ATOM 0 HE2 LYS A 6 7.332 -0.819 -12.744 1.00 34.51 H new ATOM 0 HE3 LYS A 6 7.825 -0.361 -11.126 1.00 34.51 H new ATOM 0 HZ1 LYS A 6 6.577 -2.421 -11.112 1.00 41.34 H new ATOM 0 HZ2 LYS A 6 5.723 -1.217 -10.273 1.00 41.34 H new ATOM 0 HZ3 LYS A 6 5.245 -1.660 -11.841 1.00 41.34 H new ATOM 105 N SER A 7 4.637 3.820 -8.833 1.00 73.21 N ATOM 106 CA SER A 7 3.246 3.592 -8.480 1.00 73.32 C ATOM 107 C SER A 7 2.368 4.698 -9.070 1.00 61.50 C ATOM 108 O SER A 7 1.561 4.445 -9.963 1.00 62.52 O ATOM 109 CB SER A 7 3.067 3.525 -6.962 1.00 74.23 C ATOM 110 OG SER A 7 2.008 2.647 -6.588 1.00 23.02 O ATOM 0 H SER A 7 5.200 4.243 -8.096 1.00 73.21 H new ATOM 0 HA SER A 7 2.940 2.633 -8.897 1.00 73.32 H new ATOM 0 HB2 SER A 7 3.996 3.189 -6.502 1.00 74.23 H new ATOM 0 HB3 SER A 7 2.863 4.524 -6.576 1.00 74.23 H new ATOM 0 HG SER A 7 2.028 2.505 -5.619 1.00 23.02 H new ATOM 116 N GLU A 8 2.555 5.900 -8.547 1.00 5.15 N ATOM 117 CA GLU A 8 1.791 7.046 -9.010 1.00 71.50 C ATOM 118 C GLU A 8 2.502 7.717 -10.187 1.00 13.12 C ATOM 119 O GLU A 8 1.867 8.072 -11.179 1.00 3.10 O ATOM 120 CB GLU A 8 1.552 8.041 -7.873 1.00 53.34 C ATOM 121 CG GLU A 8 0.523 9.099 -8.278 1.00 40.05 C ATOM 122 CD GLU A 8 -0.893 8.660 -7.900 1.00 70.35 C ATOM 123 OE1 GLU A 8 -1.285 7.519 -8.187 1.00 34.22 O ATOM 124 OE2 GLU A 8 -1.595 9.551 -7.286 1.00 43.13 O ATOM 0 H GLU A 8 3.225 6.106 -7.806 1.00 5.15 H new ATOM 0 HA GLU A 8 0.817 6.695 -9.352 1.00 71.50 H new ATOM 0 HB2 GLU A 8 1.204 7.510 -6.987 1.00 53.34 H new ATOM 0 HB3 GLU A 8 2.491 8.525 -7.605 1.00 53.34 H new ATOM 0 HG2 GLU A 8 0.757 10.045 -7.789 1.00 40.05 H new ATOM 0 HG3 GLU A 8 0.579 9.273 -9.353 1.00 40.05 H new ATOM 132 N TYR A 9 3.809 7.871 -10.037 1.00 41.22 N ATOM 133 CA TYR A 9 4.613 8.494 -11.075 1.00 72.13 C ATOM 134 C TYR A 9 5.159 7.447 -12.048 1.00 74.14 C ATOM 135 O TYR A 9 5.057 6.247 -11.796 1.00 44.31 O ATOM 136 CB TYR A 9 5.785 9.164 -10.356 1.00 11.21 C ATOM 137 CG TYR A 9 5.538 10.630 -9.996 1.00 14.43 C ATOM 138 CD1 TYR A 9 4.901 11.464 -10.893 1.00 32.50 C ATOM 139 CD2 TYR A 9 5.951 11.120 -8.773 1.00 42.13 C ATOM 140 CE1 TYR A 9 4.668 12.844 -10.554 1.00 20.50 C ATOM 141 CE2 TYR A 9 5.718 12.500 -8.434 1.00 44.13 C ATOM 142 CZ TYR A 9 5.088 13.294 -9.341 1.00 64.34 C ATOM 143 OH TYR A 9 4.869 14.597 -9.021 1.00 55.12 O ATOM 0 H TYR A 9 4.332 7.575 -9.212 1.00 41.22 H new ATOM 0 HA TYR A 9 4.016 9.202 -11.650 1.00 72.13 H new ATOM 0 HB2 TYR A 9 6.004 8.609 -9.444 1.00 11.21 H new ATOM 0 HB3 TYR A 9 6.670 9.100 -10.988 1.00 11.21 H new ATOM 0 HD1 TYR A 9 4.577 11.081 -11.850 1.00 32.50 H new ATOM 0 HD2 TYR A 9 6.449 10.468 -8.070 1.00 42.13 H new ATOM 0 HE1 TYR A 9 4.171 13.507 -11.247 1.00 20.50 H new ATOM 0 HE2 TYR A 9 6.036 12.896 -7.481 1.00 44.13 H new ATOM 0 HH TYR A 9 5.221 14.777 -8.124 1.00 55.12 H new ATOM 153 N PRO A 10 5.740 7.952 -13.169 1.00 65.11 N ATOM 154 CA PRO A 10 6.302 7.074 -14.181 1.00 64.22 C ATOM 155 C PRO A 10 7.634 6.481 -13.715 1.00 52.21 C ATOM 156 O PRO A 10 8.172 6.888 -12.687 1.00 23.13 O ATOM 157 CB PRO A 10 6.440 7.941 -15.422 1.00 20.11 C ATOM 158 CG PRO A 10 6.388 9.379 -14.933 1.00 5.30 C ATOM 159 CD PRO A 10 5.878 9.367 -13.501 1.00 63.13 C ATOM 0 HA PRO A 10 5.671 6.209 -14.384 1.00 64.22 H new ATOM 0 HB2 PRO A 10 7.378 7.738 -15.938 1.00 20.11 H new ATOM 0 HB3 PRO A 10 5.636 7.740 -16.130 1.00 20.11 H new ATOM 0 HG2 PRO A 10 7.377 9.835 -14.982 1.00 5.30 H new ATOM 0 HG3 PRO A 10 5.731 9.974 -15.567 1.00 5.30 H new ATOM 0 HD2 PRO A 10 6.576 9.866 -12.828 1.00 63.13 H new ATOM 0 HD3 PRO A 10 4.925 9.889 -13.416 1.00 63.13 H new ATOM 167 N PHE A 11 8.127 5.530 -14.494 1.00 74.34 N ATOM 168 CA PHE A 11 9.385 4.877 -14.174 1.00 52.24 C ATOM 169 C PHE A 11 10.571 5.675 -14.720 1.00 13.51 C ATOM 170 O PHE A 11 11.677 5.591 -14.190 1.00 23.45 O ATOM 171 CB PHE A 11 9.359 3.502 -14.845 1.00 51.43 C ATOM 172 CG PHE A 11 9.767 3.522 -16.320 1.00 24.23 C ATOM 173 CD1 PHE A 11 11.074 3.373 -16.665 1.00 63.53 C ATOM 174 CD2 PHE A 11 8.824 3.688 -17.285 1.00 14.23 C ATOM 175 CE1 PHE A 11 11.453 3.391 -18.034 1.00 24.54 C ATOM 176 CE2 PHE A 11 9.203 3.706 -18.653 1.00 53.30 C ATOM 177 CZ PHE A 11 10.510 3.557 -18.999 1.00 14.04 C ATOM 0 H PHE A 11 7.678 5.196 -15.347 1.00 74.34 H new ATOM 0 HA PHE A 11 9.500 4.800 -13.093 1.00 52.24 H new ATOM 0 HB2 PHE A 11 10.026 2.832 -14.303 1.00 51.43 H new ATOM 0 HB3 PHE A 11 8.354 3.087 -14.762 1.00 51.43 H new ATOM 0 HD1 PHE A 11 11.823 3.241 -15.899 1.00 63.53 H new ATOM 0 HD2 PHE A 11 7.786 3.806 -17.011 1.00 14.23 H new ATOM 0 HE1 PHE A 11 12.491 3.273 -18.308 1.00 24.54 H new ATOM 0 HE2 PHE A 11 8.453 3.838 -19.419 1.00 53.30 H new ATOM 0 HZ PHE A 11 10.798 3.571 -20.040 1.00 14.04 H new ATOM 187 N GLU A 12 10.299 6.433 -15.773 1.00 22.25 N ATOM 188 CA GLU A 12 11.330 7.246 -16.396 1.00 31.44 C ATOM 189 C GLU A 12 11.765 8.368 -15.451 1.00 32.54 C ATOM 190 O GLU A 12 12.841 8.939 -15.614 1.00 44.43 O ATOM 191 CB GLU A 12 10.848 7.811 -17.733 1.00 43.21 C ATOM 192 CG GLU A 12 9.952 6.808 -18.462 1.00 11.02 C ATOM 193 CD GLU A 12 9.952 7.067 -19.970 1.00 1.02 C ATOM 194 OE1 GLU A 12 8.894 7.350 -20.550 1.00 75.13 O ATOM 195 OE2 GLU A 12 11.105 6.967 -20.540 1.00 72.20 O ATOM 0 H GLU A 12 9.380 6.501 -16.210 1.00 22.25 H new ATOM 0 HA GLU A 12 12.194 6.612 -16.597 1.00 31.44 H new ATOM 0 HB2 GLU A 12 10.300 8.738 -17.564 1.00 43.21 H new ATOM 0 HB3 GLU A 12 11.706 8.058 -18.358 1.00 43.21 H new ATOM 0 HG2 GLU A 12 10.299 5.794 -18.264 1.00 11.02 H new ATOM 0 HG3 GLU A 12 8.934 6.878 -18.078 1.00 11.02 H new ATOM 203 N LYS A 13 10.905 8.649 -14.482 1.00 62.24 N ATOM 204 CA LYS A 13 11.187 9.692 -13.511 1.00 41.11 C ATOM 205 C LYS A 13 12.470 9.345 -12.754 1.00 24.31 C ATOM 206 O LYS A 13 13.426 10.119 -12.756 1.00 52.50 O ATOM 207 CB LYS A 13 9.978 9.918 -12.601 1.00 60.21 C ATOM 208 CG LYS A 13 10.078 11.263 -11.880 1.00 3.42 C ATOM 209 CD LYS A 13 9.441 12.379 -12.710 1.00 41.42 C ATOM 210 CE LYS A 13 10.064 13.736 -12.375 1.00 64.05 C ATOM 211 NZ LYS A 13 9.241 14.835 -12.928 1.00 64.01 N ATOM 0 H LYS A 13 10.013 8.172 -14.349 1.00 62.24 H new ATOM 0 HA LYS A 13 11.361 10.643 -14.014 1.00 41.11 H new ATOM 0 HB2 LYS A 13 9.063 9.885 -13.192 1.00 60.21 H new ATOM 0 HB3 LYS A 13 9.914 9.113 -11.869 1.00 60.21 H new ATOM 0 HG2 LYS A 13 9.583 11.198 -10.911 1.00 3.42 H new ATOM 0 HG3 LYS A 13 11.125 11.500 -11.688 1.00 3.42 H new ATOM 0 HD2 LYS A 13 9.571 12.167 -13.771 1.00 41.42 H new ATOM 0 HD3 LYS A 13 8.368 12.411 -12.521 1.00 41.42 H new ATOM 0 HE2 LYS A 13 10.150 13.846 -11.294 1.00 64.05 H new ATOM 0 HE3 LYS A 13 11.074 13.790 -12.782 1.00 64.05 H new ATOM 0 HZ1 LYS A 13 9.678 15.749 -12.692 1.00 64.01 H new ATOM 0 HZ2 LYS A 13 9.181 14.737 -13.962 1.00 64.01 H new ATOM 0 HZ3 LYS A 13 8.285 14.792 -12.520 1.00 64.01 H new ATOM 224 N ARG A 14 12.451 8.179 -12.124 1.00 51.13 N ATOM 225 CA ARG A 14 13.601 7.720 -11.364 1.00 61.45 C ATOM 226 C ARG A 14 14.826 7.603 -12.274 1.00 72.40 C ATOM 227 O ARG A 14 15.954 7.810 -11.831 1.00 44.22 O ATOM 228 CB ARG A 14 13.325 6.362 -10.715 1.00 3.12 C ATOM 229 CG ARG A 14 12.801 5.358 -11.744 1.00 13.44 C ATOM 230 CD ARG A 14 12.974 3.922 -11.246 1.00 31.12 C ATOM 231 NE ARG A 14 12.083 3.676 -10.090 1.00 75.24 N ATOM 232 CZ ARG A 14 12.220 2.640 -9.235 1.00 43.23 C ATOM 233 NH1 ARG A 14 13.217 1.744 -9.399 1.00 53.22 N ATOM 234 NH2 ARG A 14 11.366 2.517 -8.237 1.00 21.15 N ATOM 0 H ARG A 14 11.657 7.539 -12.125 1.00 51.13 H new ATOM 0 HA ARG A 14 13.795 8.452 -10.580 1.00 61.45 H new ATOM 0 HB2 ARG A 14 14.239 5.979 -10.261 1.00 3.12 H new ATOM 0 HB3 ARG A 14 12.596 6.480 -9.913 1.00 3.12 H new ATOM 0 HG2 ARG A 14 11.747 5.553 -11.944 1.00 13.44 H new ATOM 0 HG3 ARG A 14 13.333 5.486 -12.687 1.00 13.44 H new ATOM 0 HD2 ARG A 14 12.745 3.220 -12.048 1.00 31.12 H new ATOM 0 HD3 ARG A 14 14.011 3.750 -10.959 1.00 31.12 H new ATOM 0 HE ARG A 14 11.317 4.330 -9.929 1.00 75.24 H new ATOM 0 HH11 ARG A 14 13.873 1.847 -10.173 1.00 53.22 H new ATOM 0 HH12 ARG A 14 13.314 0.964 -8.749 1.00 53.22 H new ATOM 0 HH21 ARG A 14 10.616 3.199 -8.120 1.00 21.15 H new ATOM 0 HH22 ARG A 14 11.455 1.740 -7.582 1.00 21.15 H new ATOM 247 N LYS A 15 14.561 7.270 -13.529 1.00 45.51 N ATOM 248 CA LYS A 15 15.628 7.123 -14.505 1.00 1.41 C ATOM 249 C LYS A 15 16.163 8.506 -14.882 1.00 10.43 C ATOM 250 O LYS A 15 17.328 8.646 -15.252 1.00 74.32 O ATOM 251 CB LYS A 15 15.148 6.302 -15.703 1.00 44.03 C ATOM 252 CG LYS A 15 15.959 6.637 -16.957 1.00 53.02 C ATOM 253 CD LYS A 15 16.042 5.431 -17.894 1.00 63.35 C ATOM 254 CE LYS A 15 14.880 5.428 -18.890 1.00 5.30 C ATOM 255 NZ LYS A 15 13.644 5.924 -18.245 1.00 3.42 N ATOM 0 H LYS A 15 13.624 7.098 -13.892 1.00 45.51 H new ATOM 0 HA LYS A 15 16.461 6.564 -14.078 1.00 1.41 H new ATOM 0 HB2 LYS A 15 15.239 5.239 -15.480 1.00 44.03 H new ATOM 0 HB3 LYS A 15 14.092 6.500 -15.885 1.00 44.03 H new ATOM 0 HG2 LYS A 15 15.499 7.476 -17.479 1.00 53.02 H new ATOM 0 HG3 LYS A 15 16.963 6.951 -16.672 1.00 53.02 H new ATOM 0 HD2 LYS A 15 16.988 5.450 -18.434 1.00 63.35 H new ATOM 0 HD3 LYS A 15 16.027 4.511 -17.310 1.00 63.35 H new ATOM 0 HE2 LYS A 15 15.126 6.054 -19.747 1.00 5.30 H new ATOM 0 HE3 LYS A 15 14.720 4.418 -19.268 1.00 5.30 H new ATOM 0 HZ1 LYS A 15 12.831 5.743 -18.868 1.00 3.42 H new ATOM 0 HZ2 LYS A 15 13.503 5.432 -17.340 1.00 3.42 H new ATOM 0 HZ3 LYS A 15 13.728 6.946 -18.074 1.00 3.42 H new ATOM 268 N ALA A 16 15.287 9.494 -14.774 1.00 15.20 N ATOM 269 CA ALA A 16 15.656 10.861 -15.099 1.00 1.42 C ATOM 270 C ALA A 16 16.473 11.452 -13.947 1.00 73.44 C ATOM 271 O ALA A 16 17.646 11.781 -14.118 1.00 75.44 O ATOM 272 CB ALA A 16 14.395 11.675 -15.396 1.00 35.53 C ATOM 0 H ALA A 16 14.322 9.375 -14.466 1.00 15.20 H new ATOM 0 HA ALA A 16 16.279 10.887 -15.993 1.00 1.42 H new ATOM 0 HB1 ALA A 16 14.673 12.700 -15.640 1.00 35.53 H new ATOM 0 HB2 ALA A 16 13.866 11.232 -16.240 1.00 35.53 H new ATOM 0 HB3 ALA A 16 13.746 11.673 -14.520 1.00 35.53 H new ATOM 278 N GLU A 17 15.820 11.568 -12.800 1.00 63.32 N ATOM 279 CA GLU A 17 16.471 12.113 -11.621 1.00 22.41 C ATOM 280 C GLU A 17 17.883 11.539 -11.481 1.00 33.11 C ATOM 281 O GLU A 17 18.809 12.248 -11.091 1.00 11.12 O ATOM 282 CB GLU A 17 15.643 11.843 -10.363 1.00 74.14 C ATOM 283 CG GLU A 17 15.917 10.440 -9.816 1.00 54.54 C ATOM 284 CD GLU A 17 15.012 10.131 -8.622 1.00 12.40 C ATOM 285 OE1 GLU A 17 14.699 11.034 -7.831 1.00 53.05 O ATOM 286 OE2 GLU A 17 14.630 8.902 -8.531 1.00 2.54 O ATOM 0 H GLU A 17 14.847 11.294 -12.662 1.00 63.32 H new ATOM 0 HA GLU A 17 16.549 13.194 -11.740 1.00 22.41 H new ATOM 0 HB2 GLU A 17 15.879 12.586 -9.602 1.00 74.14 H new ATOM 0 HB3 GLU A 17 14.582 11.947 -10.592 1.00 74.14 H new ATOM 0 HG2 GLU A 17 15.754 9.702 -10.601 1.00 54.54 H new ATOM 0 HG3 GLU A 17 16.962 10.361 -9.515 1.00 54.54 H new ATOM 294 N SER A 18 18.002 10.260 -11.807 1.00 3.41 N ATOM 295 CA SER A 18 19.285 9.583 -11.722 1.00 43.44 C ATOM 296 C SER A 18 20.268 10.198 -12.721 1.00 71.34 C ATOM 297 O SER A 18 21.433 10.419 -12.395 1.00 40.33 O ATOM 298 CB SER A 18 19.134 8.083 -11.981 1.00 23.04 C ATOM 299 OG SER A 18 18.374 7.817 -13.157 1.00 4.54 O ATOM 0 H SER A 18 17.231 9.675 -12.130 1.00 3.41 H new ATOM 0 HA SER A 18 19.674 9.712 -10.712 1.00 43.44 H new ATOM 0 HB2 SER A 18 20.121 7.631 -12.078 1.00 23.04 H new ATOM 0 HB3 SER A 18 18.651 7.614 -11.124 1.00 23.04 H new ATOM 0 HG SER A 18 18.251 8.648 -13.662 1.00 4.54 H new ATOM 305 N GLU A 19 19.762 10.455 -13.918 1.00 54.43 N ATOM 306 CA GLU A 19 20.580 11.040 -14.967 1.00 61.31 C ATOM 307 C GLU A 19 21.250 12.321 -14.466 1.00 71.20 C ATOM 308 O GLU A 19 22.325 12.689 -14.937 1.00 71.43 O ATOM 309 CB GLU A 19 19.750 11.310 -16.224 1.00 2.44 C ATOM 310 CG GLU A 19 19.358 10.003 -16.914 1.00 32.51 C ATOM 311 CD GLU A 19 20.409 9.590 -17.946 1.00 44.40 C ATOM 312 OE1 GLU A 19 21.352 10.352 -18.209 1.00 1.04 O ATOM 313 OE2 GLU A 19 20.222 8.432 -18.482 1.00 44.24 O ATOM 0 H GLU A 19 18.795 10.269 -14.185 1.00 54.43 H new ATOM 0 HA GLU A 19 21.360 10.326 -15.233 1.00 61.31 H new ATOM 0 HB2 GLU A 19 18.852 11.868 -15.958 1.00 2.44 H new ATOM 0 HB3 GLU A 19 20.320 11.933 -16.914 1.00 2.44 H new ATOM 0 HG2 GLU A 19 19.245 9.215 -16.170 1.00 32.51 H new ATOM 0 HG3 GLU A 19 18.391 10.122 -17.402 1.00 32.51 H new ATOM 321 N ARG A 20 20.587 12.965 -13.517 1.00 51.11 N ATOM 322 CA ARG A 20 21.105 14.197 -12.947 1.00 13.21 C ATOM 323 C ARG A 20 22.199 13.889 -11.923 1.00 43.52 C ATOM 324 O ARG A 20 23.206 14.593 -11.855 1.00 12.32 O ATOM 325 CB ARG A 20 19.993 15.000 -12.269 1.00 11.13 C ATOM 326 CG ARG A 20 19.191 15.802 -13.296 1.00 34.42 C ATOM 327 CD ARG A 20 18.129 16.664 -12.610 1.00 51.13 C ATOM 328 NE ARG A 20 16.880 15.889 -12.440 1.00 31.35 N ATOM 329 CZ ARG A 20 15.983 15.671 -13.425 1.00 43.30 C ATOM 330 NH1 ARG A 20 16.191 16.170 -14.662 1.00 54.22 N ATOM 331 NH2 ARG A 20 14.901 14.964 -13.161 1.00 33.23 N ATOM 0 H ARG A 20 19.696 12.657 -13.128 1.00 51.11 H new ATOM 0 HA ARG A 20 21.521 14.790 -13.761 1.00 13.21 H new ATOM 0 HB2 ARG A 20 19.328 14.324 -11.731 1.00 11.13 H new ATOM 0 HB3 ARG A 20 20.426 15.676 -11.532 1.00 11.13 H new ATOM 0 HG2 ARG A 20 19.864 16.437 -13.872 1.00 34.42 H new ATOM 0 HG3 ARG A 20 18.713 15.122 -14.001 1.00 34.42 H new ATOM 0 HD2 ARG A 20 18.493 17.000 -11.639 1.00 51.13 H new ATOM 0 HD3 ARG A 20 17.935 17.557 -13.204 1.00 51.13 H new ATOM 0 HE ARG A 20 16.684 15.494 -11.520 1.00 31.35 H new ATOM 0 HH11 ARG A 20 17.030 16.716 -14.857 1.00 54.22 H new ATOM 0 HH12 ARG A 20 15.509 16.001 -15.401 1.00 54.22 H new ATOM 0 HH21 ARG A 20 14.752 14.591 -12.223 1.00 33.23 H new ATOM 0 HH22 ARG A 20 14.214 14.790 -13.894 1.00 33.23 H new ATOM 344 N ILE A 21 21.966 12.837 -11.153 1.00 13.22 N ATOM 345 CA ILE A 21 22.919 12.428 -10.136 1.00 24.31 C ATOM 346 C ILE A 21 24.095 11.712 -10.804 1.00 60.11 C ATOM 347 O ILE A 21 25.170 11.597 -10.218 1.00 63.51 O ATOM 348 CB ILE A 21 22.226 11.595 -9.055 1.00 42.25 C ATOM 349 CG1 ILE A 21 21.496 12.494 -8.055 1.00 72.33 C ATOM 350 CG2 ILE A 21 23.219 10.657 -8.365 1.00 55.22 C ATOM 351 CD1 ILE A 21 20.332 11.749 -7.397 1.00 43.14 C ATOM 0 H ILE A 21 21.130 12.255 -11.213 1.00 13.22 H new ATOM 0 HA ILE A 21 23.325 13.300 -9.623 1.00 24.31 H new ATOM 0 HB ILE A 21 21.473 10.970 -9.535 1.00 42.25 H new ATOM 0 HG12 ILE A 21 22.194 12.835 -7.290 1.00 72.33 H new ATOM 0 HG13 ILE A 21 21.123 13.382 -8.564 1.00 72.33 H new ATOM 0 HG21 ILE A 21 22.701 10.077 -7.601 1.00 55.22 H new ATOM 0 HG22 ILE A 21 23.653 9.981 -9.102 1.00 55.22 H new ATOM 0 HG23 ILE A 21 24.011 11.244 -7.900 1.00 55.22 H new ATOM 0 HD11 ILE A 21 19.830 12.410 -6.691 1.00 43.14 H new ATOM 0 HD12 ILE A 21 19.624 11.431 -8.163 1.00 43.14 H new ATOM 0 HD13 ILE A 21 20.712 10.875 -6.868 1.00 43.14 H new ATOM 363 N ALA A 22 23.850 11.250 -12.021 1.00 64.25 N ATOM 364 CA ALA A 22 24.875 10.548 -12.776 1.00 4.43 C ATOM 365 C ALA A 22 25.791 11.569 -13.454 1.00 63.03 C ATOM 366 O ALA A 22 26.965 11.291 -13.695 1.00 2.52 O ATOM 367 CB ALA A 22 24.213 9.602 -13.779 1.00 24.54 C ATOM 0 H ALA A 22 22.957 11.348 -12.504 1.00 64.25 H new ATOM 0 HA ALA A 22 25.491 9.940 -12.114 1.00 4.43 H new ATOM 0 HB1 ALA A 22 24.982 9.076 -14.345 1.00 24.54 H new ATOM 0 HB2 ALA A 22 23.597 8.879 -13.245 1.00 24.54 H new ATOM 0 HB3 ALA A 22 23.588 10.176 -14.463 1.00 24.54 H new ATOM 373 N ASP A 23 25.220 12.729 -13.744 1.00 32.32 N ATOM 374 CA ASP A 23 25.970 13.792 -14.390 1.00 2.10 C ATOM 375 C ASP A 23 26.534 14.733 -13.324 1.00 12.44 C ATOM 376 O ASP A 23 27.425 15.533 -13.605 1.00 23.13 O ATOM 377 CB ASP A 23 25.073 14.613 -15.319 1.00 25.02 C ATOM 378 CG ASP A 23 25.786 15.238 -16.519 1.00 44.45 C ATOM 379 OD1 ASP A 23 25.427 14.985 -17.679 1.00 22.42 O ATOM 380 OD2 ASP A 23 26.763 16.028 -16.223 1.00 71.42 O ATOM 0 H ASP A 23 24.246 12.956 -13.543 1.00 32.32 H new ATOM 0 HA ASP A 23 26.770 13.334 -14.973 1.00 2.10 H new ATOM 0 HB2 ASP A 23 24.271 13.972 -15.685 1.00 25.02 H new ATOM 0 HB3 ASP A 23 24.605 15.408 -14.739 1.00 25.02 H new ATOM 386 N ARG A 24 25.991 14.607 -12.122 1.00 14.12 N ATOM 387 CA ARG A 24 26.428 15.437 -11.012 1.00 22.42 C ATOM 388 C ARG A 24 27.449 14.683 -10.156 1.00 52.33 C ATOM 389 O ARG A 24 28.596 15.109 -10.034 1.00 64.24 O ATOM 390 CB ARG A 24 25.245 15.852 -10.135 1.00 22.11 C ATOM 391 CG ARG A 24 25.659 16.929 -9.130 1.00 61.11 C ATOM 392 CD ARG A 24 26.124 18.198 -9.847 1.00 51.11 C ATOM 393 NE ARG A 24 26.240 19.312 -8.880 1.00 12.21 N ATOM 394 CZ ARG A 24 26.413 20.604 -9.231 1.00 10.32 C ATOM 395 NH1 ARG A 24 26.492 20.956 -10.532 1.00 12.33 N ATOM 396 NH2 ARG A 24 26.504 21.518 -8.283 1.00 1.32 N ATOM 0 H ARG A 24 25.252 13.942 -11.892 1.00 14.12 H new ATOM 0 HA ARG A 24 26.888 16.333 -11.429 1.00 22.42 H new ATOM 0 HB2 ARG A 24 24.436 16.227 -10.762 1.00 22.11 H new ATOM 0 HB3 ARG A 24 24.859 14.982 -9.603 1.00 22.11 H new ATOM 0 HG2 ARG A 24 24.819 17.163 -8.476 1.00 61.11 H new ATOM 0 HG3 ARG A 24 26.461 16.551 -8.496 1.00 61.11 H new ATOM 0 HD2 ARG A 24 27.086 18.022 -10.328 1.00 51.11 H new ATOM 0 HD3 ARG A 24 25.417 18.461 -10.634 1.00 51.11 H new ATOM 0 HE ARG A 24 26.186 19.090 -7.886 1.00 12.21 H new ATOM 0 HH11 ARG A 24 26.421 20.243 -11.258 1.00 12.33 H new ATOM 0 HH12 ARG A 24 26.623 21.935 -10.789 1.00 12.33 H new ATOM 0 HH21 ARG A 24 26.444 21.244 -7.302 1.00 1.32 H new ATOM 0 HH22 ARG A 24 26.635 22.499 -8.531 1.00 1.32 H new ATOM 409 N PHE A 25 26.994 13.577 -9.586 1.00 12.51 N ATOM 410 CA PHE A 25 27.853 12.761 -8.745 1.00 60.03 C ATOM 411 C PHE A 25 27.904 11.318 -9.251 1.00 71.11 C ATOM 412 O PHE A 25 27.265 10.434 -8.682 1.00 41.03 O ATOM 413 CB PHE A 25 27.248 12.775 -7.340 1.00 41.31 C ATOM 414 CG PHE A 25 26.633 14.118 -6.941 1.00 51.21 C ATOM 415 CD1 PHE A 25 27.434 15.140 -6.536 1.00 62.23 C ATOM 416 CD2 PHE A 25 25.285 14.290 -6.991 1.00 53.23 C ATOM 417 CE1 PHE A 25 26.863 16.386 -6.166 1.00 42.10 C ATOM 418 CE2 PHE A 25 24.714 15.537 -6.621 1.00 72.51 C ATOM 419 CZ PHE A 25 25.515 16.558 -6.216 1.00 41.23 C ATOM 0 H PHE A 25 26.042 13.227 -9.690 1.00 12.51 H new ATOM 0 HA PHE A 25 28.868 13.158 -8.754 1.00 60.03 H new ATOM 0 HB2 PHE A 25 26.481 12.003 -7.278 1.00 41.31 H new ATOM 0 HB3 PHE A 25 28.023 12.513 -6.619 1.00 41.31 H new ATOM 0 HD1 PHE A 25 28.505 15.004 -6.496 1.00 62.23 H new ATOM 0 HD2 PHE A 25 24.649 13.479 -7.312 1.00 53.23 H new ATOM 0 HE1 PHE A 25 27.499 17.197 -5.845 1.00 42.10 H new ATOM 0 HE2 PHE A 25 23.643 15.674 -6.661 1.00 72.51 H new ATOM 0 HZ PHE A 25 25.081 17.506 -5.934 1.00 41.23 H new ATOM 429 N PRO A 26 28.690 11.119 -10.343 1.00 23.12 N ATOM 430 CA PRO A 26 28.833 9.798 -10.932 1.00 11.34 C ATOM 431 C PRO A 26 29.738 8.911 -10.075 1.00 20.31 C ATOM 432 O PRO A 26 29.978 7.753 -10.413 1.00 71.31 O ATOM 433 CB PRO A 26 29.390 10.046 -12.324 1.00 10.51 C ATOM 434 CG PRO A 26 29.973 11.450 -12.295 1.00 64.24 C ATOM 435 CD PRO A 26 29.462 12.142 -11.043 1.00 15.02 C ATOM 0 HA PRO A 26 27.888 9.257 -10.986 1.00 11.34 H new ATOM 0 HB2 PRO A 26 30.154 9.311 -12.576 1.00 10.51 H new ATOM 0 HB3 PRO A 26 28.608 9.963 -13.078 1.00 10.51 H new ATOM 0 HG2 PRO A 26 31.062 11.411 -12.292 1.00 64.24 H new ATOM 0 HG3 PRO A 26 29.677 12.005 -13.185 1.00 64.24 H new ATOM 0 HD2 PRO A 26 30.285 12.507 -10.428 1.00 15.02 H new ATOM 0 HD3 PRO A 26 28.843 13.004 -11.292 1.00 15.02 H new ATOM 443 N ASN A 27 30.216 9.488 -8.982 1.00 73.40 N ATOM 444 CA ASN A 27 31.089 8.763 -8.074 1.00 51.31 C ATOM 445 C ASN A 27 30.282 8.297 -6.861 1.00 20.03 C ATOM 446 O ASN A 27 30.792 7.562 -6.017 1.00 22.22 O ATOM 447 CB ASN A 27 32.224 9.657 -7.572 1.00 4.13 C ATOM 448 CG ASN A 27 33.314 9.809 -8.635 1.00 23.33 C ATOM 449 OD1 ASN A 27 34.312 9.107 -8.642 1.00 44.00 O ATOM 450 ND2 ASN A 27 33.069 10.761 -9.529 1.00 55.54 N ATOM 0 H ASN A 27 30.015 10.449 -8.705 1.00 73.40 H new ATOM 0 HA ASN A 27 31.510 7.915 -8.615 1.00 51.31 H new ATOM 0 HB2 ASN A 27 31.829 10.638 -7.308 1.00 4.13 H new ATOM 0 HB3 ASN A 27 32.653 9.231 -6.665 1.00 4.13 H new ATOM 0 HD21 ASN A 27 33.737 10.940 -10.279 1.00 55.54 H new ATOM 0 HD22 ASN A 27 32.213 11.313 -9.465 1.00 55.54 H new ATOM 457 N ARG A 28 29.036 8.744 -6.812 1.00 33.32 N ATOM 458 CA ARG A 28 28.153 8.381 -5.716 1.00 2.42 C ATOM 459 C ARG A 28 27.337 7.139 -6.080 1.00 1.53 C ATOM 460 O ARG A 28 27.510 6.573 -7.158 1.00 33.13 O ATOM 461 CB ARG A 28 27.200 9.528 -5.374 1.00 55.05 C ATOM 462 CG ARG A 28 27.943 10.673 -4.684 1.00 25.11 C ATOM 463 CD ARG A 28 28.293 10.307 -3.240 1.00 5.20 C ATOM 464 NE ARG A 28 28.319 11.526 -2.401 1.00 45.33 N ATOM 465 CZ ARG A 28 28.109 11.532 -1.068 1.00 1.22 C ATOM 466 NH1 ARG A 28 27.855 10.381 -0.409 1.00 52.52 N ATOM 467 NH2 ARG A 28 28.156 12.680 -0.418 1.00 35.04 N ATOM 0 H ARG A 28 28.617 9.354 -7.513 1.00 33.32 H new ATOM 0 HA ARG A 28 28.774 8.169 -4.846 1.00 2.42 H new ATOM 0 HB2 ARG A 28 26.725 9.894 -6.284 1.00 55.05 H new ATOM 0 HB3 ARG A 28 26.404 9.163 -4.725 1.00 55.05 H new ATOM 0 HG2 ARG A 28 28.854 10.905 -5.235 1.00 25.11 H new ATOM 0 HG3 ARG A 28 27.326 11.571 -4.696 1.00 25.11 H new ATOM 0 HD2 ARG A 28 27.561 9.601 -2.848 1.00 5.20 H new ATOM 0 HD3 ARG A 28 29.263 9.812 -3.207 1.00 5.20 H new ATOM 0 HE ARG A 28 28.507 12.418 -2.859 1.00 45.33 H new ATOM 0 HH11 ARG A 28 27.821 9.498 -0.919 1.00 52.52 H new ATOM 0 HH12 ARG A 28 27.697 10.394 0.599 1.00 52.52 H new ATOM 0 HH21 ARG A 28 28.349 13.545 -0.923 1.00 35.04 H new ATOM 0 HH22 ARG A 28 28.000 12.702 0.590 1.00 35.04 H new ATOM 480 N ILE A 29 26.466 6.753 -5.160 1.00 35.22 N ATOM 481 CA ILE A 29 25.622 5.588 -5.370 1.00 42.43 C ATOM 482 C ILE A 29 24.260 5.826 -4.716 1.00 73.11 C ATOM 483 O ILE A 29 24.080 5.553 -3.530 1.00 63.33 O ATOM 484 CB ILE A 29 26.327 4.321 -4.881 1.00 53.25 C ATOM 485 CG1 ILE A 29 27.813 4.345 -5.244 1.00 52.45 C ATOM 486 CG2 ILE A 29 25.628 3.067 -5.410 1.00 32.11 C ATOM 487 CD1 ILE A 29 28.487 3.020 -4.883 1.00 1.40 C ATOM 0 H ILE A 29 26.326 7.226 -4.267 1.00 35.22 H new ATOM 0 HA ILE A 29 25.442 5.434 -6.434 1.00 42.43 H new ATOM 0 HB ILE A 29 26.262 4.292 -3.793 1.00 53.25 H new ATOM 0 HG12 ILE A 29 27.927 4.536 -6.311 1.00 52.45 H new ATOM 0 HG13 ILE A 29 28.306 5.163 -4.719 1.00 52.45 H new ATOM 0 HG21 ILE A 29 26.148 2.180 -5.048 1.00 32.11 H new ATOM 0 HG22 ILE A 29 24.596 3.050 -5.059 1.00 32.11 H new ATOM 0 HG23 ILE A 29 25.641 3.076 -6.500 1.00 32.11 H new ATOM 0 HD11 ILE A 29 29.543 3.064 -5.151 1.00 1.40 H new ATOM 0 HD12 ILE A 29 28.392 2.844 -3.812 1.00 1.40 H new ATOM 0 HD13 ILE A 29 28.007 2.207 -5.428 1.00 1.40 H new ATOM 499 N PRO A 30 23.310 6.346 -5.539 1.00 32.41 N ATOM 500 CA PRO A 30 21.969 6.623 -5.053 1.00 11.02 C ATOM 501 C PRO A 30 21.167 5.330 -4.887 1.00 44.30 C ATOM 502 O PRO A 30 20.512 4.878 -5.824 1.00 75.21 O ATOM 503 CB PRO A 30 21.366 7.568 -6.079 1.00 41.31 C ATOM 504 CG PRO A 30 22.213 7.418 -7.332 1.00 44.42 C ATOM 505 CD PRO A 30 23.486 6.682 -6.949 1.00 24.23 C ATOM 0 HA PRO A 30 21.967 7.078 -4.062 1.00 11.02 H new ATOM 0 HB2 PRO A 30 20.325 7.315 -6.279 1.00 41.31 H new ATOM 0 HB3 PRO A 30 21.380 8.597 -5.719 1.00 41.31 H new ATOM 0 HG2 PRO A 30 21.668 6.865 -8.097 1.00 44.42 H new ATOM 0 HG3 PRO A 30 22.449 8.396 -7.752 1.00 44.42 H new ATOM 0 HD2 PRO A 30 23.623 5.787 -7.555 1.00 24.23 H new ATOM 0 HD3 PRO A 30 24.366 7.307 -7.100 1.00 24.23 H new ATOM 513 N VAL A 31 21.247 4.772 -3.688 1.00 15.41 N ATOM 514 CA VAL A 31 20.536 3.541 -3.387 1.00 65.22 C ATOM 515 C VAL A 31 19.108 3.874 -2.951 1.00 4.00 C ATOM 516 O VAL A 31 18.896 4.790 -2.158 1.00 35.32 O ATOM 517 CB VAL A 31 21.308 2.734 -2.341 1.00 62.11 C ATOM 518 CG1 VAL A 31 20.425 1.647 -1.726 1.00 33.21 C ATOM 519 CG2 VAL A 31 22.580 2.132 -2.942 1.00 21.01 C ATOM 0 H VAL A 31 21.793 5.150 -2.914 1.00 15.41 H new ATOM 0 HA VAL A 31 20.466 2.914 -4.276 1.00 65.22 H new ATOM 0 HB VAL A 31 21.604 3.416 -1.544 1.00 62.11 H new ATOM 0 HG11 VAL A 31 20.998 1.088 -0.986 1.00 33.21 H new ATOM 0 HG12 VAL A 31 19.563 2.108 -1.245 1.00 33.21 H new ATOM 0 HG13 VAL A 31 20.084 0.969 -2.509 1.00 33.21 H new ATOM 0 HG21 VAL A 31 23.110 1.564 -2.178 1.00 21.01 H new ATOM 0 HG22 VAL A 31 22.315 1.471 -3.767 1.00 21.01 H new ATOM 0 HG23 VAL A 31 23.223 2.932 -3.310 1.00 21.01 H new ATOM 529 N ILE A 32 18.167 3.113 -3.488 1.00 73.53 N ATOM 530 CA ILE A 32 16.765 3.315 -3.164 1.00 52.54 C ATOM 531 C ILE A 32 16.259 2.129 -2.342 1.00 31.31 C ATOM 532 O ILE A 32 15.807 1.130 -2.900 1.00 30.13 O ATOM 533 CB ILE A 32 15.953 3.573 -4.436 1.00 2.45 C ATOM 534 CG1 ILE A 32 16.092 5.028 -4.889 1.00 41.11 C ATOM 535 CG2 ILE A 32 14.490 3.170 -4.243 1.00 12.31 C ATOM 536 CD1 ILE A 32 15.077 5.924 -4.176 1.00 3.00 C ATOM 0 H ILE A 32 18.348 2.355 -4.146 1.00 73.53 H new ATOM 0 HA ILE A 32 16.641 4.206 -2.548 1.00 52.54 H new ATOM 0 HB ILE A 32 16.357 2.948 -5.232 1.00 2.45 H new ATOM 0 HG12 ILE A 32 17.102 5.382 -4.683 1.00 41.11 H new ATOM 0 HG13 ILE A 32 15.945 5.093 -5.967 1.00 41.11 H new ATOM 0 HG21 ILE A 32 13.935 3.363 -5.161 1.00 12.31 H new ATOM 0 HG22 ILE A 32 14.434 2.109 -4.002 1.00 12.31 H new ATOM 0 HG23 ILE A 32 14.057 3.751 -3.428 1.00 12.31 H new ATOM 0 HD11 ILE A 32 15.197 6.953 -4.516 1.00 3.00 H new ATOM 0 HD12 ILE A 32 14.067 5.582 -4.403 1.00 3.00 H new ATOM 0 HD13 ILE A 32 15.242 5.876 -3.100 1.00 3.00 H new ATOM 548 N CYS A 33 16.352 2.277 -1.029 1.00 12.43 N ATOM 549 CA CYS A 33 15.909 1.230 -0.124 1.00 1.33 C ATOM 550 C CYS A 33 14.380 1.192 -0.145 1.00 32.10 C ATOM 551 O CYS A 33 13.735 2.180 -0.494 1.00 23.15 O ATOM 552 CB CYS A 33 16.455 1.437 1.290 1.00 23.35 C ATOM 553 SG CYS A 33 16.839 -0.181 2.055 1.00 4.22 S ATOM 0 H CYS A 33 16.728 3.107 -0.570 1.00 12.43 H new ATOM 0 HA CYS A 33 16.300 0.269 -0.457 1.00 1.33 H new ATOM 0 HB2 CYS A 33 17.353 2.055 1.255 1.00 23.35 H new ATOM 0 HB3 CYS A 33 15.724 1.971 1.897 1.00 23.35 H new ATOM 0 HG CYS A 33 17.670 -0.009 3.039 1.00 4.22 H new ATOM 559 N GLU A 34 13.843 0.041 0.232 1.00 23.32 N ATOM 560 CA GLU A 34 12.402 -0.139 0.261 1.00 72.41 C ATOM 561 C GLU A 34 11.983 -0.865 1.541 1.00 13.43 C ATOM 562 O GLU A 34 12.391 -2.000 1.778 1.00 63.44 O ATOM 563 CB GLU A 34 11.919 -0.894 -0.979 1.00 53.35 C ATOM 564 CG GLU A 34 12.606 -0.370 -2.242 1.00 65.20 C ATOM 565 CD GLU A 34 12.039 -1.042 -3.494 1.00 54.41 C ATOM 566 OE1 GLU A 34 10.881 -1.486 -3.488 1.00 51.14 O ATOM 567 OE2 GLU A 34 12.846 -1.092 -4.499 1.00 74.22 O ATOM 0 H GLU A 34 14.381 -0.777 0.520 1.00 23.32 H new ATOM 0 HA GLU A 34 11.933 0.845 0.254 1.00 72.41 H new ATOM 0 HB2 GLU A 34 12.124 -1.958 -0.864 1.00 53.35 H new ATOM 0 HB3 GLU A 34 10.839 -0.786 -1.077 1.00 53.35 H new ATOM 0 HG2 GLU A 34 12.472 0.709 -2.312 1.00 65.20 H new ATOM 0 HG3 GLU A 34 13.678 -0.555 -2.180 1.00 65.20 H new ATOM 575 N LYS A 35 11.173 -0.178 2.334 1.00 32.30 N ATOM 576 CA LYS A 35 10.694 -0.743 3.584 1.00 0.24 C ATOM 577 C LYS A 35 10.178 -2.161 3.334 1.00 23.41 C ATOM 578 O LYS A 35 9.551 -2.426 2.310 1.00 55.31 O ATOM 579 CB LYS A 35 9.660 0.183 4.229 1.00 61.40 C ATOM 580 CG LYS A 35 9.755 0.133 5.755 1.00 25.42 C ATOM 581 CD LYS A 35 8.741 -0.855 6.336 1.00 42.12 C ATOM 582 CE LYS A 35 9.302 -1.549 7.578 1.00 33.55 C ATOM 583 NZ LYS A 35 8.393 -2.630 8.022 1.00 11.05 N ATOM 0 H LYS A 35 10.837 0.764 2.135 1.00 32.30 H new ATOM 0 HA LYS A 35 11.509 -0.823 4.303 1.00 0.24 H new ATOM 0 HB2 LYS A 35 9.817 1.205 3.885 1.00 61.40 H new ATOM 0 HB3 LYS A 35 8.658 -0.109 3.914 1.00 61.40 H new ATOM 0 HG2 LYS A 35 10.763 -0.159 6.051 1.00 25.42 H new ATOM 0 HG3 LYS A 35 9.577 1.126 6.167 1.00 25.42 H new ATOM 0 HD2 LYS A 35 7.822 -0.329 6.593 1.00 42.12 H new ATOM 0 HD3 LYS A 35 8.482 -1.600 5.584 1.00 42.12 H new ATOM 0 HE2 LYS A 35 10.287 -1.961 7.358 1.00 33.55 H new ATOM 0 HE3 LYS A 35 9.432 -0.823 8.380 1.00 33.55 H new ATOM 0 HZ1 LYS A 35 8.676 -2.954 8.969 1.00 11.05 H new ATOM 0 HZ2 LYS A 35 7.417 -2.271 8.056 1.00 11.05 H new ATOM 0 HZ3 LYS A 35 8.447 -3.425 7.354 1.00 11.05 H new ATOM 596 N ALA A 36 10.462 -3.037 4.287 1.00 4.32 N ATOM 597 CA ALA A 36 10.035 -4.422 4.183 1.00 41.41 C ATOM 598 C ALA A 36 8.796 -4.635 5.054 1.00 34.31 C ATOM 599 O ALA A 36 8.856 -4.485 6.273 1.00 21.44 O ATOM 600 CB ALA A 36 11.191 -5.344 4.577 1.00 53.40 C ATOM 0 H ALA A 36 10.983 -2.814 5.135 1.00 4.32 H new ATOM 0 HA ALA A 36 9.762 -4.664 3.156 1.00 41.41 H new ATOM 0 HB1 ALA A 36 10.871 -6.383 4.499 1.00 53.40 H new ATOM 0 HB2 ALA A 36 12.036 -5.174 3.910 1.00 53.40 H new ATOM 0 HB3 ALA A 36 11.491 -5.133 5.603 1.00 53.40 H new ATOM 606 N GLU A 37 7.700 -4.982 4.394 1.00 24.31 N ATOM 607 CA GLU A 37 6.449 -5.218 5.093 1.00 35.11 C ATOM 608 C GLU A 37 6.634 -6.292 6.166 1.00 22.45 C ATOM 609 O GLU A 37 6.311 -6.072 7.333 1.00 44.12 O ATOM 610 CB GLU A 37 5.339 -5.607 4.114 1.00 31.02 C ATOM 611 CG GLU A 37 5.710 -6.873 3.340 1.00 71.42 C ATOM 612 CD GLU A 37 4.796 -7.062 2.127 1.00 44.31 C ATOM 613 OE1 GLU A 37 5.287 -7.284 1.010 1.00 40.21 O ATOM 614 OE2 GLU A 37 3.534 -6.971 2.376 1.00 71.02 O ATOM 0 H GLU A 37 7.653 -5.105 3.383 1.00 24.31 H new ATOM 0 HA GLU A 37 6.149 -4.291 5.583 1.00 35.11 H new ATOM 0 HB2 GLU A 37 4.409 -5.769 4.659 1.00 31.02 H new ATOM 0 HB3 GLU A 37 5.161 -4.789 3.416 1.00 31.02 H new ATOM 0 HG2 GLU A 37 6.748 -6.812 3.012 1.00 71.42 H new ATOM 0 HG3 GLU A 37 5.634 -7.740 3.996 1.00 71.42 H new ATOM 622 N LYS A 38 7.154 -7.432 5.734 1.00 35.12 N ATOM 623 CA LYS A 38 7.386 -8.541 6.644 1.00 71.23 C ATOM 624 C LYS A 38 8.017 -8.014 7.934 1.00 43.44 C ATOM 625 O LYS A 38 7.672 -8.461 9.026 1.00 11.01 O ATOM 626 CB LYS A 38 8.209 -9.633 5.958 1.00 64.13 C ATOM 627 CG LYS A 38 7.396 -10.328 4.864 1.00 34.44 C ATOM 628 CD LYS A 38 7.913 -11.746 4.614 1.00 34.40 C ATOM 629 CE LYS A 38 7.525 -12.232 3.216 1.00 62.31 C ATOM 630 NZ LYS A 38 6.106 -12.650 3.187 1.00 14.13 N ATOM 0 H LYS A 38 7.421 -7.611 4.766 1.00 35.12 H new ATOM 0 HA LYS A 38 6.442 -9.011 6.920 1.00 71.23 H new ATOM 0 HB2 LYS A 38 9.109 -9.197 5.525 1.00 64.13 H new ATOM 0 HB3 LYS A 38 8.533 -10.366 6.696 1.00 64.13 H new ATOM 0 HG2 LYS A 38 6.346 -10.366 5.155 1.00 34.44 H new ATOM 0 HG3 LYS A 38 7.451 -9.749 3.942 1.00 34.44 H new ATOM 0 HD2 LYS A 38 8.997 -11.766 4.722 1.00 34.40 H new ATOM 0 HD3 LYS A 38 7.505 -12.423 5.365 1.00 34.40 H new ATOM 0 HE2 LYS A 38 7.691 -11.437 2.489 1.00 62.31 H new ATOM 0 HE3 LYS A 38 8.162 -13.067 2.925 1.00 62.31 H new ATOM 0 HZ1 LYS A 38 5.860 -12.977 2.231 1.00 14.13 H new ATOM 0 HZ2 LYS A 38 5.958 -13.424 3.866 1.00 14.13 H new ATOM 0 HZ3 LYS A 38 5.501 -11.844 3.444 1.00 14.13 H new ATOM 643 N SER A 39 8.932 -7.070 7.764 1.00 14.22 N ATOM 644 CA SER A 39 9.614 -6.477 8.901 1.00 4.44 C ATOM 645 C SER A 39 8.595 -6.055 9.962 1.00 43.11 C ATOM 646 O SER A 39 7.419 -5.863 9.656 1.00 4.14 O ATOM 647 CB SER A 39 10.460 -5.276 8.471 1.00 21.41 C ATOM 648 OG SER A 39 11.536 -5.030 9.373 1.00 33.41 O ATOM 0 H SER A 39 9.216 -6.702 6.856 1.00 14.22 H new ATOM 0 HA SER A 39 10.283 -7.225 9.326 1.00 4.44 H new ATOM 0 HB2 SER A 39 10.858 -5.452 7.472 1.00 21.41 H new ATOM 0 HB3 SER A 39 9.828 -4.390 8.411 1.00 21.41 H new ATOM 0 HG SER A 39 11.458 -5.627 10.146 1.00 33.41 H new ATOM 654 N ASP A 40 9.084 -5.923 11.186 1.00 34.25 N ATOM 655 CA ASP A 40 8.230 -5.528 12.294 1.00 2.10 C ATOM 656 C ASP A 40 8.623 -4.124 12.759 1.00 30.20 C ATOM 657 O ASP A 40 8.221 -3.688 13.837 1.00 71.24 O ATOM 658 CB ASP A 40 8.390 -6.481 13.480 1.00 2.11 C ATOM 659 CG ASP A 40 7.431 -7.673 13.486 1.00 13.52 C ATOM 660 OD1 ASP A 40 7.185 -8.300 12.445 1.00 13.23 O ATOM 661 OD2 ASP A 40 6.919 -7.954 14.636 1.00 34.23 O ATOM 0 H ASP A 40 10.060 -6.082 11.435 1.00 34.25 H new ATOM 0 HA ASP A 40 7.196 -5.553 11.949 1.00 2.10 H new ATOM 0 HB2 ASP A 40 9.413 -6.857 13.489 1.00 2.11 H new ATOM 0 HB3 ASP A 40 8.250 -5.916 14.402 1.00 2.11 H new ATOM 667 N ILE A 41 9.404 -3.456 11.923 1.00 12.52 N ATOM 668 CA ILE A 41 9.855 -2.110 12.235 1.00 24.12 C ATOM 669 C ILE A 41 8.892 -1.097 11.614 1.00 42.41 C ATOM 670 O ILE A 41 8.132 -1.432 10.707 1.00 20.41 O ATOM 671 CB ILE A 41 11.311 -1.920 11.803 1.00 11.14 C ATOM 672 CG1 ILE A 41 11.394 -1.441 10.353 1.00 62.15 C ATOM 673 CG2 ILE A 41 12.122 -3.197 12.033 1.00 2.52 C ATOM 674 CD1 ILE A 41 12.820 -1.572 9.813 1.00 71.20 C ATOM 0 H ILE A 41 9.736 -3.821 11.030 1.00 12.52 H new ATOM 0 HA ILE A 41 9.841 -1.943 13.312 1.00 24.12 H new ATOM 0 HB ILE A 41 11.754 -1.142 12.425 1.00 11.14 H new ATOM 0 HG12 ILE A 41 10.712 -2.024 9.734 1.00 62.15 H new ATOM 0 HG13 ILE A 41 11.072 -0.402 10.291 1.00 62.15 H new ATOM 0 HG21 ILE A 41 13.153 -3.035 11.718 1.00 2.52 H new ATOM 0 HG22 ILE A 41 12.103 -3.455 13.092 1.00 2.52 H new ATOM 0 HG23 ILE A 41 11.689 -4.012 11.453 1.00 2.52 H new ATOM 0 HD11 ILE A 41 12.851 -1.225 8.780 1.00 71.20 H new ATOM 0 HD12 ILE A 41 13.496 -0.969 10.419 1.00 71.20 H new ATOM 0 HD13 ILE A 41 13.130 -2.616 9.854 1.00 71.20 H new ATOM 686 N PRO A 42 8.957 0.156 12.140 1.00 22.45 N ATOM 687 CA PRO A 42 8.100 1.220 11.647 1.00 1.35 C ATOM 688 C PRO A 42 8.584 1.729 10.288 1.00 5.12 C ATOM 689 O PRO A 42 9.781 1.711 10.005 1.00 23.30 O ATOM 690 CB PRO A 42 8.137 2.288 12.729 1.00 60.31 C ATOM 691 CG PRO A 42 9.370 1.990 13.567 1.00 71.23 C ATOM 692 CD PRO A 42 9.845 0.590 13.215 1.00 22.41 C ATOM 0 HA PRO A 42 7.077 0.888 11.468 1.00 1.35 H new ATOM 0 HB2 PRO A 42 8.193 3.285 12.292 1.00 60.31 H new ATOM 0 HB3 PRO A 42 7.234 2.258 13.339 1.00 60.31 H new ATOM 0 HG2 PRO A 42 10.154 2.721 13.367 1.00 71.23 H new ATOM 0 HG3 PRO A 42 9.135 2.058 14.629 1.00 71.23 H new ATOM 0 HD2 PRO A 42 10.886 0.595 12.891 1.00 22.41 H new ATOM 0 HD3 PRO A 42 9.782 -0.077 14.075 1.00 22.41 H new ATOM 700 N GLU A 43 7.630 2.172 9.483 1.00 34.34 N ATOM 701 CA GLU A 43 7.944 2.685 8.161 1.00 73.12 C ATOM 702 C GLU A 43 8.732 3.991 8.272 1.00 41.51 C ATOM 703 O GLU A 43 8.854 4.557 9.358 1.00 61.54 O ATOM 704 CB GLU A 43 6.672 2.880 7.332 1.00 5.33 C ATOM 705 CG GLU A 43 6.946 2.649 5.845 1.00 45.41 C ATOM 706 CD GLU A 43 7.086 3.979 5.100 1.00 22.33 C ATOM 707 OE1 GLU A 43 6.136 4.775 5.070 1.00 43.02 O ATOM 708 OE2 GLU A 43 8.232 4.172 4.541 1.00 43.24 O ATOM 0 H GLU A 43 6.638 2.186 9.721 1.00 34.34 H new ATOM 0 HA GLU A 43 8.565 1.952 7.646 1.00 73.12 H new ATOM 0 HB2 GLU A 43 5.901 2.190 7.675 1.00 5.33 H new ATOM 0 HB3 GLU A 43 6.287 3.889 7.482 1.00 5.33 H new ATOM 0 HG2 GLU A 43 7.858 2.064 5.726 1.00 45.41 H new ATOM 0 HG3 GLU A 43 6.135 2.067 5.408 1.00 45.41 H new ATOM 716 N ILE A 44 9.247 4.433 7.134 1.00 52.41 N ATOM 717 CA ILE A 44 10.020 5.663 7.090 1.00 71.13 C ATOM 718 C ILE A 44 9.255 6.713 6.281 1.00 31.43 C ATOM 719 O ILE A 44 8.222 6.411 5.685 1.00 63.31 O ATOM 720 CB ILE A 44 11.431 5.390 6.564 1.00 13.02 C ATOM 721 CG1 ILE A 44 11.398 4.412 5.388 1.00 41.10 C ATOM 722 CG2 ILE A 44 12.350 4.905 7.687 1.00 11.43 C ATOM 723 CD1 ILE A 44 12.807 4.155 4.849 1.00 31.15 C ATOM 0 H ILE A 44 9.144 3.961 6.235 1.00 52.41 H new ATOM 0 HA ILE A 44 10.151 6.067 8.094 1.00 71.13 H new ATOM 0 HB ILE A 44 11.844 6.327 6.192 1.00 13.02 H new ATOM 0 HG12 ILE A 44 10.949 3.471 5.705 1.00 41.10 H new ATOM 0 HG13 ILE A 44 10.769 4.814 4.594 1.00 41.10 H new ATOM 0 HG21 ILE A 44 13.346 4.718 7.287 1.00 11.43 H new ATOM 0 HG22 ILE A 44 12.408 5.667 8.464 1.00 11.43 H new ATOM 0 HG23 ILE A 44 11.951 3.984 8.111 1.00 11.43 H new ATOM 0 HD11 ILE A 44 12.755 3.457 4.014 1.00 31.15 H new ATOM 0 HD12 ILE A 44 13.244 5.094 4.510 1.00 31.15 H new ATOM 0 HD13 ILE A 44 13.427 3.731 5.639 1.00 31.15 H new ATOM 735 N ASP A 45 9.791 7.924 6.287 1.00 1.13 N ATOM 736 CA ASP A 45 9.172 9.020 5.562 1.00 53.31 C ATOM 737 C ASP A 45 9.411 8.833 4.062 1.00 10.44 C ATOM 738 O ASP A 45 8.470 8.872 3.271 1.00 64.44 O ATOM 739 CB ASP A 45 9.776 10.364 5.973 1.00 3.23 C ATOM 740 CG ASP A 45 9.402 10.838 7.379 1.00 5.31 C ATOM 741 OD1 ASP A 45 8.728 10.124 8.136 1.00 52.14 O ATOM 742 OD2 ASP A 45 9.840 12.011 7.693 1.00 32.54 O ATOM 0 H ASP A 45 10.648 8.171 6.783 1.00 1.13 H new ATOM 0 HA ASP A 45 8.107 9.018 5.793 1.00 53.31 H new ATOM 0 HB2 ASP A 45 10.862 10.293 5.907 1.00 3.23 H new ATOM 0 HB3 ASP A 45 9.462 11.121 5.255 1.00 3.23 H new ATOM 748 N LYS A 46 10.675 8.635 3.717 1.00 13.44 N ATOM 749 CA LYS A 46 11.050 8.442 2.327 1.00 55.52 C ATOM 750 C LYS A 46 12.200 7.437 2.248 1.00 5.50 C ATOM 751 O LYS A 46 12.663 6.936 3.272 1.00 50.52 O ATOM 752 CB LYS A 46 11.360 9.786 1.664 1.00 11.22 C ATOM 753 CG LYS A 46 10.765 9.853 0.256 1.00 2.50 C ATOM 754 CD LYS A 46 9.293 10.268 0.302 1.00 42.22 C ATOM 755 CE LYS A 46 8.385 9.115 -0.130 1.00 1.11 C ATOM 756 NZ LYS A 46 7.324 9.603 -1.039 1.00 11.43 N ATOM 0 H LYS A 46 11.452 8.604 4.377 1.00 13.44 H new ATOM 0 HA LYS A 46 10.218 8.019 1.763 1.00 55.52 H new ATOM 0 HB2 LYS A 46 10.958 10.597 2.272 1.00 11.22 H new ATOM 0 HB3 LYS A 46 12.439 9.930 1.614 1.00 11.22 H new ATOM 0 HG2 LYS A 46 11.329 10.565 -0.347 1.00 2.50 H new ATOM 0 HG3 LYS A 46 10.858 8.881 -0.228 1.00 2.50 H new ATOM 0 HD2 LYS A 46 9.032 10.583 1.312 1.00 42.22 H new ATOM 0 HD3 LYS A 46 9.133 11.126 -0.351 1.00 42.22 H new ATOM 0 HE2 LYS A 46 8.975 8.347 -0.630 1.00 1.11 H new ATOM 0 HE3 LYS A 46 7.935 8.650 0.747 1.00 1.11 H new ATOM 0 HZ1 LYS A 46 6.717 8.808 -1.322 1.00 11.43 H new ATOM 0 HZ2 LYS A 46 6.750 10.319 -0.550 1.00 11.43 H new ATOM 0 HZ3 LYS A 46 7.758 10.025 -1.884 1.00 11.43 H new ATOM 769 N ARG A 47 12.630 7.173 1.023 1.00 73.31 N ATOM 770 CA ARG A 47 13.718 6.236 0.797 1.00 12.51 C ATOM 771 C ARG A 47 14.777 6.863 -0.113 1.00 34.33 C ATOM 772 O ARG A 47 14.599 6.921 -1.329 1.00 5.05 O ATOM 773 CB ARG A 47 13.208 4.943 0.159 1.00 33.22 C ATOM 774 CG ARG A 47 12.017 5.218 -0.762 1.00 24.21 C ATOM 775 CD ARG A 47 11.390 3.911 -1.252 1.00 41.21 C ATOM 776 NE ARG A 47 10.637 3.267 -0.153 1.00 4.34 N ATOM 777 CZ ARG A 47 9.340 3.518 0.125 1.00 42.10 C ATOM 778 NH1 ARG A 47 8.640 4.403 -0.616 1.00 34.21 N ATOM 779 NH2 ARG A 47 8.767 2.885 1.132 1.00 42.32 N ATOM 0 H ARG A 47 12.245 7.591 0.176 1.00 73.31 H new ATOM 0 HA ARG A 47 14.159 6.000 1.765 1.00 12.51 H new ATOM 0 HB2 ARG A 47 14.010 4.473 -0.409 1.00 33.22 H new ATOM 0 HB3 ARG A 47 12.915 4.240 0.938 1.00 33.22 H new ATOM 0 HG2 ARG A 47 11.270 5.807 -0.230 1.00 24.21 H new ATOM 0 HG3 ARG A 47 12.343 5.812 -1.616 1.00 24.21 H new ATOM 0 HD2 ARG A 47 10.724 4.110 -2.092 1.00 41.21 H new ATOM 0 HD3 ARG A 47 12.168 3.238 -1.614 1.00 41.21 H new ATOM 0 HE ARG A 47 11.129 2.591 0.431 1.00 4.34 H new ATOM 0 HH11 ARG A 47 9.091 4.887 -1.392 1.00 34.21 H new ATOM 0 HH12 ARG A 47 7.660 4.587 -0.400 1.00 34.21 H new ATOM 0 HH21 ARG A 47 9.303 2.218 1.687 1.00 42.32 H new ATOM 0 HH22 ARG A 47 7.788 3.063 1.355 1.00 42.32 H new ATOM 792 N LYS A 48 15.854 7.315 0.511 1.00 3.22 N ATOM 793 CA LYS A 48 16.942 7.935 -0.227 1.00 74.10 C ATOM 794 C LYS A 48 18.249 7.748 0.546 1.00 13.10 C ATOM 795 O LYS A 48 18.299 7.981 1.753 1.00 40.13 O ATOM 796 CB LYS A 48 16.614 9.397 -0.537 1.00 31.10 C ATOM 797 CG LYS A 48 17.882 10.183 -0.875 1.00 42.23 C ATOM 798 CD LYS A 48 18.632 10.587 0.396 1.00 64.34 C ATOM 799 CE LYS A 48 19.272 11.968 0.240 1.00 55.13 C ATOM 800 NZ LYS A 48 20.232 12.222 1.337 1.00 34.22 N ATOM 0 H LYS A 48 15.997 7.265 1.520 1.00 3.22 H new ATOM 0 HA LYS A 48 17.072 7.450 -1.194 1.00 74.10 H new ATOM 0 HB2 LYS A 48 15.917 9.448 -1.373 1.00 31.10 H new ATOM 0 HB3 LYS A 48 16.117 9.852 0.320 1.00 31.10 H new ATOM 0 HG2 LYS A 48 18.531 9.578 -1.508 1.00 42.23 H new ATOM 0 HG3 LYS A 48 17.621 11.074 -1.446 1.00 42.23 H new ATOM 0 HD2 LYS A 48 17.944 10.595 1.241 1.00 64.34 H new ATOM 0 HD3 LYS A 48 19.402 9.848 0.618 1.00 64.34 H new ATOM 0 HE2 LYS A 48 19.783 12.032 -0.721 1.00 55.13 H new ATOM 0 HE3 LYS A 48 18.498 12.736 0.241 1.00 55.13 H new ATOM 0 HZ1 LYS A 48 20.657 13.163 1.215 1.00 34.22 H new ATOM 0 HZ2 LYS A 48 19.735 12.182 2.250 1.00 34.22 H new ATOM 0 HZ3 LYS A 48 20.980 11.500 1.318 1.00 34.22 H new ATOM 813 N TYR A 49 19.274 7.329 -0.181 1.00 2.41 N ATOM 814 CA TYR A 49 20.578 7.109 0.421 1.00 31.35 C ATOM 815 C TYR A 49 21.698 7.338 -0.596 1.00 12.25 C ATOM 816 O TYR A 49 22.055 6.431 -1.346 1.00 4.34 O ATOM 817 CB TYR A 49 20.597 5.643 0.861 1.00 52.41 C ATOM 818 CG TYR A 49 19.398 5.236 1.719 1.00 32.25 C ATOM 819 CD1 TYR A 49 19.431 5.427 3.086 1.00 53.02 C ATOM 820 CD2 TYR A 49 18.283 4.677 1.128 1.00 63.34 C ATOM 821 CE1 TYR A 49 18.302 5.043 3.894 1.00 42.41 C ATOM 822 CE2 TYR A 49 17.155 4.293 1.936 1.00 51.14 C ATOM 823 CZ TYR A 49 17.220 4.495 3.279 1.00 41.31 C ATOM 824 OH TYR A 49 16.154 4.133 4.042 1.00 23.01 O ATOM 0 H TYR A 49 19.228 7.136 -1.182 1.00 2.41 H new ATOM 0 HA TYR A 49 20.738 7.797 1.251 1.00 31.35 H new ATOM 0 HB2 TYR A 49 20.629 5.009 -0.025 1.00 52.41 H new ATOM 0 HB3 TYR A 49 21.513 5.454 1.421 1.00 52.41 H new ATOM 0 HD1 TYR A 49 20.303 5.864 3.549 1.00 53.02 H new ATOM 0 HD2 TYR A 49 18.257 4.528 0.059 1.00 63.34 H new ATOM 0 HE1 TYR A 49 18.315 5.187 4.964 1.00 42.41 H new ATOM 0 HE2 TYR A 49 16.277 3.854 1.485 1.00 51.14 H new ATOM 0 HH TYR A 49 15.454 3.757 3.469 1.00 23.01 H new ATOM 834 N LEU A 50 22.220 8.556 -0.588 1.00 61.20 N ATOM 835 CA LEU A 50 23.292 8.916 -1.500 1.00 60.05 C ATOM 836 C LEU A 50 24.640 8.652 -0.827 1.00 31.14 C ATOM 837 O LEU A 50 25.168 9.515 -0.127 1.00 33.34 O ATOM 838 CB LEU A 50 23.120 10.356 -1.988 1.00 13.14 C ATOM 839 CG LEU A 50 23.604 10.646 -3.410 1.00 25.33 C ATOM 840 CD1 LEU A 50 25.126 10.805 -3.449 1.00 34.14 C ATOM 841 CD2 LEU A 50 23.115 9.573 -4.385 1.00 23.12 C ATOM 0 H LEU A 50 21.920 9.306 0.035 1.00 61.20 H new ATOM 0 HA LEU A 50 23.255 8.294 -2.394 1.00 60.05 H new ATOM 0 HB2 LEU A 50 22.063 10.616 -1.925 1.00 13.14 H new ATOM 0 HB3 LEU A 50 23.652 11.016 -1.303 1.00 13.14 H new ATOM 0 HG LEU A 50 23.172 11.594 -3.731 1.00 25.33 H new ATOM 0 HD11 LEU A 50 25.444 11.010 -4.471 1.00 34.14 H new ATOM 0 HD12 LEU A 50 25.422 11.632 -2.804 1.00 34.14 H new ATOM 0 HD13 LEU A 50 25.597 9.886 -3.100 1.00 34.14 H new ATOM 0 HD21 LEU A 50 23.473 9.803 -5.389 1.00 23.12 H new ATOM 0 HD22 LEU A 50 23.498 8.600 -4.077 1.00 23.12 H new ATOM 0 HD23 LEU A 50 22.025 9.551 -4.385 1.00 23.12 H new ATOM 853 N VAL A 51 25.158 7.455 -1.061 1.00 44.54 N ATOM 854 CA VAL A 51 26.435 7.067 -0.486 1.00 32.23 C ATOM 855 C VAL A 51 27.478 6.953 -1.599 1.00 71.32 C ATOM 856 O VAL A 51 27.135 6.699 -2.753 1.00 34.23 O ATOM 857 CB VAL A 51 26.275 5.775 0.318 1.00 34.12 C ATOM 858 CG1 VAL A 51 26.069 6.076 1.804 1.00 75.30 C ATOM 859 CG2 VAL A 51 25.128 4.925 -0.233 1.00 65.54 C ATOM 0 H VAL A 51 24.717 6.741 -1.641 1.00 44.54 H new ATOM 0 HA VAL A 51 26.787 7.827 0.211 1.00 32.23 H new ATOM 0 HB VAL A 51 27.196 5.201 0.217 1.00 34.12 H new ATOM 0 HG11 VAL A 51 25.958 5.141 2.353 1.00 75.30 H new ATOM 0 HG12 VAL A 51 26.931 6.622 2.188 1.00 75.30 H new ATOM 0 HG13 VAL A 51 25.171 6.680 1.932 1.00 75.30 H new ATOM 0 HG21 VAL A 51 25.036 4.013 0.356 1.00 65.54 H new ATOM 0 HG22 VAL A 51 24.197 5.489 -0.176 1.00 65.54 H new ATOM 0 HG23 VAL A 51 25.333 4.667 -1.272 1.00 65.54 H new ATOM 869 N PRO A 52 28.764 7.151 -1.204 1.00 61.03 N ATOM 870 CA PRO A 52 29.860 7.073 -2.156 1.00 35.13 C ATOM 871 C PRO A 52 30.161 5.619 -2.527 1.00 0.53 C ATOM 872 O PRO A 52 29.590 4.696 -1.948 1.00 42.23 O ATOM 873 CB PRO A 52 31.026 7.765 -1.470 1.00 41.21 C ATOM 874 CG PRO A 52 30.683 7.793 0.010 1.00 33.14 C ATOM 875 CD PRO A 52 29.208 7.454 0.153 1.00 30.32 C ATOM 0 HA PRO A 52 29.629 7.557 -3.105 1.00 35.13 H new ATOM 0 HB2 PRO A 52 31.957 7.226 -1.645 1.00 41.21 H new ATOM 0 HB3 PRO A 52 31.164 8.774 -1.858 1.00 41.21 H new ATOM 0 HG2 PRO A 52 31.294 7.075 0.557 1.00 33.14 H new ATOM 0 HG3 PRO A 52 30.891 8.776 0.432 1.00 33.14 H new ATOM 0 HD2 PRO A 52 29.060 6.603 0.817 1.00 30.32 H new ATOM 0 HD3 PRO A 52 28.649 8.289 0.575 1.00 30.32 H new ATOM 883 N ALA A 53 31.058 5.462 -3.489 1.00 74.13 N ATOM 884 CA ALA A 53 31.442 4.136 -3.944 1.00 40.53 C ATOM 885 C ALA A 53 32.603 3.625 -3.089 1.00 13.03 C ATOM 886 O ALA A 53 33.296 2.685 -3.475 1.00 0.23 O ATOM 887 CB ALA A 53 31.794 4.189 -5.432 1.00 53.54 C ATOM 0 H ALA A 53 31.530 6.230 -3.966 1.00 74.13 H new ATOM 0 HA ALA A 53 30.614 3.436 -3.829 1.00 40.53 H new ATOM 0 HB1 ALA A 53 32.082 3.195 -5.773 1.00 53.54 H new ATOM 0 HB2 ALA A 53 30.928 4.531 -5.999 1.00 53.54 H new ATOM 0 HB3 ALA A 53 32.623 4.880 -5.585 1.00 53.54 H new ATOM 893 N ASP A 54 32.779 4.266 -1.943 1.00 14.32 N ATOM 894 CA ASP A 54 33.843 3.888 -1.029 1.00 44.03 C ATOM 895 C ASP A 54 33.246 3.583 0.346 1.00 74.14 C ATOM 896 O ASP A 54 33.973 3.274 1.288 1.00 1.42 O ATOM 897 CB ASP A 54 34.856 5.023 -0.863 1.00 52.03 C ATOM 898 CG ASP A 54 35.432 5.571 -2.170 1.00 44.41 C ATOM 899 OD1 ASP A 54 36.178 4.879 -2.879 1.00 50.52 O ATOM 900 OD2 ASP A 54 35.083 6.780 -2.456 1.00 35.24 O ATOM 0 H ASP A 54 32.202 5.045 -1.626 1.00 14.32 H new ATOM 0 HA ASP A 54 34.345 3.013 -1.441 1.00 44.03 H new ATOM 0 HB2 ASP A 54 34.378 5.840 -0.323 1.00 52.03 H new ATOM 0 HB3 ASP A 54 35.678 4.668 -0.242 1.00 52.03 H new ATOM 906 N LEU A 55 31.926 3.680 0.416 1.00 21.25 N ATOM 907 CA LEU A 55 31.222 3.418 1.660 1.00 2.14 C ATOM 908 C LEU A 55 30.769 1.957 1.687 1.00 23.13 C ATOM 909 O LEU A 55 30.599 1.337 0.639 1.00 61.41 O ATOM 910 CB LEU A 55 30.081 4.419 1.851 1.00 1.32 C ATOM 911 CG LEU A 55 29.076 4.088 2.956 1.00 75.33 C ATOM 912 CD1 LEU A 55 28.505 5.363 3.579 1.00 42.32 C ATOM 913 CD2 LEU A 55 27.974 3.162 2.435 1.00 42.22 C ATOM 0 H LEU A 55 31.326 3.936 -0.368 1.00 21.25 H new ATOM 0 HA LEU A 55 31.887 3.562 2.511 1.00 2.14 H new ATOM 0 HB2 LEU A 55 30.514 5.397 2.062 1.00 1.32 H new ATOM 0 HB3 LEU A 55 29.539 4.506 0.909 1.00 1.32 H new ATOM 0 HG LEU A 55 29.602 3.552 3.746 1.00 75.33 H new ATOM 0 HD11 LEU A 55 27.794 5.099 4.361 1.00 42.32 H new ATOM 0 HD12 LEU A 55 29.315 5.952 4.009 1.00 42.32 H new ATOM 0 HD13 LEU A 55 27.999 5.948 2.811 1.00 42.32 H new ATOM 0 HD21 LEU A 55 27.273 2.942 3.240 1.00 42.22 H new ATOM 0 HD22 LEU A 55 27.445 3.650 1.616 1.00 42.22 H new ATOM 0 HD23 LEU A 55 28.418 2.233 2.077 1.00 42.22 H new ATOM 925 N THR A 56 30.587 1.449 2.898 1.00 40.45 N ATOM 926 CA THR A 56 30.157 0.073 3.075 1.00 62.22 C ATOM 927 C THR A 56 28.676 0.021 3.456 1.00 43.42 C ATOM 928 O THR A 56 28.111 1.019 3.900 1.00 11.40 O ATOM 929 CB THR A 56 31.074 -0.579 4.112 1.00 63.15 C ATOM 930 OG1 THR A 56 30.603 -0.074 5.358 1.00 22.30 O ATOM 931 CG2 THR A 56 32.514 -0.069 4.023 1.00 10.30 C ATOM 0 H THR A 56 30.730 1.966 3.765 1.00 40.45 H new ATOM 0 HA THR A 56 30.241 -0.490 2.145 1.00 62.22 H new ATOM 0 HB THR A 56 31.063 -1.661 3.977 1.00 63.15 H new ATOM 0 HG1 THR A 56 30.182 -0.798 5.866 1.00 22.30 H new ATOM 0 HG21 THR A 56 33.123 -0.563 4.780 1.00 10.30 H new ATOM 0 HG22 THR A 56 32.917 -0.288 3.034 1.00 10.30 H new ATOM 0 HG23 THR A 56 32.530 1.008 4.191 1.00 10.30 H new ATOM 939 N VAL A 57 28.090 -1.152 3.268 1.00 3.11 N ATOM 940 CA VAL A 57 26.686 -1.347 3.587 1.00 40.45 C ATOM 941 C VAL A 57 26.429 -0.905 5.029 1.00 54.15 C ATOM 942 O VAL A 57 25.420 -0.261 5.314 1.00 42.34 O ATOM 943 CB VAL A 57 26.287 -2.801 3.326 1.00 1.34 C ATOM 944 CG1 VAL A 57 24.831 -3.049 3.725 1.00 22.53 C ATOM 945 CG2 VAL A 57 26.528 -3.182 1.864 1.00 22.14 C ATOM 0 H VAL A 57 28.562 -1.977 2.899 1.00 3.11 H new ATOM 0 HA VAL A 57 26.058 -0.732 2.942 1.00 40.45 H new ATOM 0 HB VAL A 57 26.918 -3.438 3.946 1.00 1.34 H new ATOM 0 HG11 VAL A 57 24.572 -4.090 3.530 1.00 22.53 H new ATOM 0 HG12 VAL A 57 24.703 -2.837 4.786 1.00 22.53 H new ATOM 0 HG13 VAL A 57 24.178 -2.398 3.144 1.00 22.53 H new ATOM 0 HG21 VAL A 57 26.236 -4.220 1.706 1.00 22.14 H new ATOM 0 HG22 VAL A 57 25.935 -2.536 1.217 1.00 22.14 H new ATOM 0 HG23 VAL A 57 27.585 -3.062 1.626 1.00 22.14 H new ATOM 955 N GLY A 58 27.358 -1.269 5.900 1.00 12.10 N ATOM 956 CA GLY A 58 27.244 -0.918 7.306 1.00 61.25 C ATOM 957 C GLY A 58 26.739 0.516 7.474 1.00 52.24 C ATOM 958 O GLY A 58 25.697 0.743 8.087 1.00 3.43 O ATOM 0 H GLY A 58 28.193 -1.803 5.660 1.00 12.10 H new ATOM 0 HA2 GLY A 58 26.562 -1.608 7.803 1.00 61.25 H new ATOM 0 HA3 GLY A 58 28.214 -1.025 7.791 1.00 61.25 H new ATOM 962 N GLN A 59 27.500 1.447 6.918 1.00 64.14 N ATOM 963 CA GLN A 59 27.143 2.853 6.998 1.00 30.02 C ATOM 964 C GLN A 59 25.683 3.054 6.586 1.00 3.10 C ATOM 965 O GLN A 59 25.006 3.942 7.102 1.00 73.33 O ATOM 966 CB GLN A 59 28.078 3.707 6.139 1.00 71.50 C ATOM 967 CG GLN A 59 29.542 3.444 6.496 1.00 44.33 C ATOM 968 CD GLN A 59 30.388 4.705 6.302 1.00 30.32 C ATOM 969 OE1 GLN A 59 30.974 4.936 5.257 1.00 14.12 O ATOM 970 NE2 GLN A 59 30.419 5.504 7.365 1.00 53.03 N ATOM 0 H GLN A 59 28.363 1.255 6.410 1.00 64.14 H new ATOM 0 HA GLN A 59 27.257 3.178 8.032 1.00 30.02 H new ATOM 0 HB2 GLN A 59 27.912 3.487 5.085 1.00 71.50 H new ATOM 0 HB3 GLN A 59 27.848 4.763 6.284 1.00 71.50 H new ATOM 0 HG2 GLN A 59 29.613 3.109 7.531 1.00 44.33 H new ATOM 0 HG3 GLN A 59 29.933 2.640 5.873 1.00 44.33 H new ATOM 0 HE21 GLN A 59 29.905 5.250 8.209 1.00 53.03 H new ATOM 0 HE22 GLN A 59 30.957 6.370 7.336 1.00 53.03 H new ATOM 979 N PHE A 60 25.242 2.215 5.660 1.00 1.15 N ATOM 980 CA PHE A 60 23.875 2.290 5.173 1.00 22.42 C ATOM 981 C PHE A 60 22.887 1.803 6.235 1.00 22.42 C ATOM 982 O PHE A 60 21.750 2.269 6.291 1.00 64.12 O ATOM 983 CB PHE A 60 23.785 1.373 3.951 1.00 3.15 C ATOM 984 CG PHE A 60 22.772 1.833 2.902 1.00 54.12 C ATOM 985 CD1 PHE A 60 23.122 2.774 1.985 1.00 40.52 C ATOM 986 CD2 PHE A 60 21.520 1.301 2.886 1.00 63.33 C ATOM 987 CE1 PHE A 60 22.181 3.201 1.011 1.00 43.43 C ATOM 988 CE2 PHE A 60 20.579 1.728 1.911 1.00 25.35 C ATOM 989 CZ PHE A 60 20.930 2.669 0.995 1.00 51.15 C ATOM 0 H PHE A 60 25.807 1.480 5.234 1.00 1.15 H new ATOM 0 HA PHE A 60 23.623 3.322 4.927 1.00 22.42 H new ATOM 0 HB2 PHE A 60 24.769 1.306 3.486 1.00 3.15 H new ATOM 0 HB3 PHE A 60 23.520 0.369 4.282 1.00 3.15 H new ATOM 0 HD1 PHE A 60 24.116 3.197 1.997 1.00 40.52 H new ATOM 0 HD2 PHE A 60 21.241 0.554 3.615 1.00 63.33 H new ATOM 0 HE1 PHE A 60 22.459 3.949 0.283 1.00 43.43 H new ATOM 0 HE2 PHE A 60 19.585 1.305 1.898 1.00 25.35 H new ATOM 0 HZ PHE A 60 20.215 2.994 0.254 1.00 51.15 H new ATOM 999 N VAL A 61 23.357 0.871 7.052 1.00 71.14 N ATOM 1000 CA VAL A 61 22.529 0.316 8.109 1.00 70.53 C ATOM 1001 C VAL A 61 22.344 1.362 9.209 1.00 2.50 C ATOM 1002 O VAL A 61 21.453 1.236 10.047 1.00 0.45 O ATOM 1003 CB VAL A 61 23.141 -0.989 8.622 1.00 60.51 C ATOM 1004 CG1 VAL A 61 22.180 -1.711 9.569 1.00 51.40 C ATOM 1005 CG2 VAL A 61 23.550 -1.897 7.460 1.00 23.12 C ATOM 0 H VAL A 61 24.301 0.487 7.003 1.00 71.14 H new ATOM 0 HA VAL A 61 21.539 0.067 7.727 1.00 70.53 H new ATOM 0 HB VAL A 61 24.040 -0.738 9.184 1.00 60.51 H new ATOM 0 HG11 VAL A 61 22.640 -2.635 9.919 1.00 51.40 H new ATOM 0 HG12 VAL A 61 21.960 -1.070 10.422 1.00 51.40 H new ATOM 0 HG13 VAL A 61 21.255 -1.943 9.041 1.00 51.40 H new ATOM 0 HG21 VAL A 61 23.982 -2.818 7.852 1.00 23.12 H new ATOM 0 HG22 VAL A 61 22.673 -2.135 6.858 1.00 23.12 H new ATOM 0 HG23 VAL A 61 24.287 -1.386 6.841 1.00 23.12 H new ATOM 1015 N TYR A 62 23.201 2.372 9.170 1.00 12.45 N ATOM 1016 CA TYR A 62 23.143 3.441 10.154 1.00 62.41 C ATOM 1017 C TYR A 62 22.078 4.473 9.780 1.00 11.31 C ATOM 1018 O TYR A 62 21.105 4.658 10.509 1.00 14.11 O ATOM 1019 CB TYR A 62 24.518 4.112 10.129 1.00 71.44 C ATOM 1020 CG TYR A 62 24.961 4.673 11.481 1.00 23.10 C ATOM 1021 CD1 TYR A 62 24.037 4.854 12.490 1.00 71.13 C ATOM 1022 CD2 TYR A 62 26.286 4.998 11.692 1.00 12.44 C ATOM 1023 CE1 TYR A 62 24.454 5.382 13.763 1.00 42.25 C ATOM 1024 CE2 TYR A 62 26.703 5.527 12.965 1.00 22.33 C ATOM 1025 CZ TYR A 62 25.767 5.693 13.938 1.00 72.45 C ATOM 1026 OH TYR A 62 26.161 6.192 15.140 1.00 71.43 O ATOM 0 H TYR A 62 23.939 2.473 8.473 1.00 12.45 H new ATOM 0 HA TYR A 62 22.889 3.045 11.137 1.00 62.41 H new ATOM 0 HB2 TYR A 62 25.258 3.388 9.787 1.00 71.44 H new ATOM 0 HB3 TYR A 62 24.503 4.921 9.399 1.00 71.44 H new ATOM 0 HD1 TYR A 62 23.001 4.599 12.325 1.00 71.13 H new ATOM 0 HD2 TYR A 62 27.009 4.856 10.903 1.00 12.44 H new ATOM 0 HE1 TYR A 62 23.741 5.528 14.561 1.00 42.25 H new ATOM 0 HE2 TYR A 62 27.736 5.786 13.143 1.00 22.33 H new ATOM 0 HH TYR A 62 27.125 6.367 15.121 1.00 71.43 H new ATOM 1036 N VAL A 63 22.298 5.119 8.644 1.00 3.15 N ATOM 1037 CA VAL A 63 21.369 6.128 8.165 1.00 4.40 C ATOM 1038 C VAL A 63 19.938 5.605 8.304 1.00 43.13 C ATOM 1039 O VAL A 63 19.070 6.295 8.835 1.00 10.33 O ATOM 1040 CB VAL A 63 21.724 6.527 6.731 1.00 71.10 C ATOM 1041 CG1 VAL A 63 22.983 7.395 6.699 1.00 42.04 C ATOM 1042 CG2 VAL A 63 21.886 5.292 5.843 1.00 63.41 C ATOM 0 H VAL A 63 23.106 4.963 8.042 1.00 3.15 H new ATOM 0 HA VAL A 63 21.444 7.033 8.768 1.00 4.40 H new ATOM 0 HB VAL A 63 20.900 7.119 6.334 1.00 71.10 H new ATOM 0 HG11 VAL A 63 23.213 7.665 5.668 1.00 42.04 H new ATOM 0 HG12 VAL A 63 22.816 8.301 7.282 1.00 42.04 H new ATOM 0 HG13 VAL A 63 23.819 6.839 7.124 1.00 42.04 H new ATOM 0 HG21 VAL A 63 22.138 5.603 4.829 1.00 63.41 H new ATOM 0 HG22 VAL A 63 22.683 4.662 6.238 1.00 63.41 H new ATOM 0 HG23 VAL A 63 20.952 4.730 5.828 1.00 63.41 H new ATOM 1052 N ILE A 64 19.737 4.390 7.816 1.00 31.32 N ATOM 1053 CA ILE A 64 18.426 3.766 7.879 1.00 20.11 C ATOM 1054 C ILE A 64 17.941 3.753 9.330 1.00 2.21 C ATOM 1055 O ILE A 64 16.949 4.400 9.663 1.00 61.24 O ATOM 1056 CB ILE A 64 18.460 2.381 7.230 1.00 61.12 C ATOM 1057 CG1 ILE A 64 18.195 2.474 5.726 1.00 70.23 C ATOM 1058 CG2 ILE A 64 17.488 1.425 7.925 1.00 3.42 C ATOM 1059 CD1 ILE A 64 19.506 2.467 4.937 1.00 73.25 C ATOM 0 H ILE A 64 20.460 3.821 7.375 1.00 31.32 H new ATOM 0 HA ILE A 64 17.701 4.344 7.305 1.00 20.11 H new ATOM 0 HB ILE A 64 19.461 1.969 7.356 1.00 61.12 H new ATOM 0 HG12 ILE A 64 17.572 1.637 5.410 1.00 70.23 H new ATOM 0 HG13 ILE A 64 17.639 3.386 5.507 1.00 70.23 H new ATOM 0 HG21 ILE A 64 17.532 0.448 7.444 1.00 3.42 H new ATOM 0 HG22 ILE A 64 17.764 1.325 8.975 1.00 3.42 H new ATOM 0 HG23 ILE A 64 16.475 1.820 7.852 1.00 3.42 H new ATOM 0 HD11 ILE A 64 19.289 2.534 3.871 1.00 73.25 H new ATOM 0 HD12 ILE A 64 20.116 3.319 5.238 1.00 73.25 H new ATOM 0 HD13 ILE A 64 20.048 1.543 5.140 1.00 73.25 H new ATOM 1071 N ARG A 65 18.664 3.010 10.155 1.00 34.13 N ATOM 1072 CA ARG A 65 18.319 2.904 11.563 1.00 5.31 C ATOM 1073 C ARG A 65 17.901 4.270 12.111 1.00 54.10 C ATOM 1074 O ARG A 65 17.106 4.350 13.047 1.00 45.42 O ATOM 1075 CB ARG A 65 19.500 2.375 12.380 1.00 35.23 C ATOM 1076 CG ARG A 65 19.030 1.829 13.731 1.00 44.05 C ATOM 1077 CD ARG A 65 20.207 1.665 14.695 1.00 42.54 C ATOM 1078 NE ARG A 65 20.588 2.981 15.256 1.00 61.20 N ATOM 1079 CZ ARG A 65 21.732 3.212 15.935 1.00 62.55 C ATOM 1080 NH1 ARG A 65 22.619 2.215 16.142 1.00 73.30 N ATOM 1081 NH2 ARG A 65 21.971 4.426 16.392 1.00 11.43 N ATOM 0 H ARG A 65 19.487 2.476 9.876 1.00 34.13 H new ATOM 0 HA ARG A 65 17.488 2.204 11.650 1.00 5.31 H new ATOM 0 HB2 ARG A 65 20.009 1.589 11.823 1.00 35.23 H new ATOM 0 HB3 ARG A 65 20.224 3.174 12.538 1.00 35.23 H new ATOM 0 HG2 ARG A 65 18.292 2.505 14.164 1.00 44.05 H new ATOM 0 HG3 ARG A 65 18.536 0.868 13.587 1.00 44.05 H new ATOM 0 HD2 ARG A 65 19.936 0.982 15.500 1.00 42.54 H new ATOM 0 HD3 ARG A 65 21.056 1.223 14.174 1.00 42.54 H new ATOM 0 HE ARG A 65 19.946 3.762 15.121 1.00 61.20 H new ATOM 0 HH11 ARG A 65 22.427 1.279 15.784 1.00 73.30 H new ATOM 0 HH12 ARG A 65 23.481 2.398 16.656 1.00 73.30 H new ATOM 0 HH21 ARG A 65 21.296 5.174 16.231 1.00 11.43 H new ATOM 0 HH22 ARG A 65 22.831 4.617 16.907 1.00 11.43 H new ATOM 1094 N LYS A 66 18.453 5.310 11.505 1.00 45.25 N ATOM 1095 CA LYS A 66 18.147 6.669 11.920 1.00 62.51 C ATOM 1096 C LYS A 66 16.791 7.080 11.344 1.00 72.13 C ATOM 1097 O LYS A 66 15.934 7.588 12.065 1.00 21.14 O ATOM 1098 CB LYS A 66 19.289 7.615 11.542 1.00 75.32 C ATOM 1099 CG LYS A 66 20.259 7.797 12.710 1.00 2.53 C ATOM 1100 CD LYS A 66 21.477 6.884 12.559 1.00 5.30 C ATOM 1101 CE LYS A 66 22.393 7.373 11.435 1.00 53.13 C ATOM 1102 NZ LYS A 66 23.403 8.318 11.962 1.00 33.42 N ATOM 0 H LYS A 66 19.111 5.239 10.729 1.00 45.25 H new ATOM 0 HA LYS A 66 18.063 6.726 13.005 1.00 62.51 H new ATOM 0 HB2 LYS A 66 19.824 7.219 10.679 1.00 75.32 H new ATOM 0 HB3 LYS A 66 18.882 8.583 11.248 1.00 75.32 H new ATOM 0 HG2 LYS A 66 20.583 8.836 12.759 1.00 2.53 H new ATOM 0 HG3 LYS A 66 19.749 7.577 13.648 1.00 2.53 H new ATOM 0 HD2 LYS A 66 22.031 6.853 13.497 1.00 5.30 H new ATOM 0 HD3 LYS A 66 21.149 5.866 12.349 1.00 5.30 H new ATOM 0 HE2 LYS A 66 22.891 6.523 10.968 1.00 53.13 H new ATOM 0 HE3 LYS A 66 21.800 7.860 10.661 1.00 53.13 H new ATOM 0 HZ1 LYS A 66 23.950 8.717 11.173 1.00 33.42 H new ATOM 0 HZ2 LYS A 66 22.925 9.086 12.476 1.00 33.42 H new ATOM 0 HZ3 LYS A 66 24.044 7.816 12.608 1.00 33.42 H new ATOM 1115 N ARG A 67 16.638 6.845 10.049 1.00 62.12 N ATOM 1116 CA ARG A 67 15.401 7.185 9.367 1.00 34.33 C ATOM 1117 C ARG A 67 14.200 6.648 10.149 1.00 13.41 C ATOM 1118 O ARG A 67 13.086 7.149 10.003 1.00 13.33 O ATOM 1119 CB ARG A 67 15.376 6.609 7.950 1.00 22.31 C ATOM 1120 CG ARG A 67 15.891 7.630 6.934 1.00 5.32 C ATOM 1121 CD ARG A 67 14.738 8.435 6.333 1.00 53.41 C ATOM 1122 NE ARG A 67 15.264 9.627 5.630 1.00 22.14 N ATOM 1123 CZ ARG A 67 15.724 10.732 6.255 1.00 54.22 C ATOM 1124 NH1 ARG A 67 15.725 10.807 7.603 1.00 40.03 N ATOM 1125 NH2 ARG A 67 16.171 11.739 5.528 1.00 63.35 N ATOM 0 H ARG A 67 17.351 6.423 9.454 1.00 62.12 H new ATOM 0 HA ARG A 67 15.344 8.272 9.306 1.00 34.33 H new ATOM 0 HB2 ARG A 67 15.989 5.709 7.909 1.00 22.31 H new ATOM 0 HB3 ARG A 67 14.359 6.314 7.691 1.00 22.31 H new ATOM 0 HG2 ARG A 67 16.597 8.305 7.417 1.00 5.32 H new ATOM 0 HG3 ARG A 67 16.433 7.117 6.140 1.00 5.32 H new ATOM 0 HD2 ARG A 67 14.173 7.813 5.639 1.00 53.41 H new ATOM 0 HD3 ARG A 67 14.049 8.742 7.120 1.00 53.41 H new ATOM 0 HE ARG A 67 15.280 9.613 4.610 1.00 22.14 H new ATOM 0 HH11 ARG A 67 15.376 10.025 8.158 1.00 40.03 H new ATOM 0 HH12 ARG A 67 16.074 11.646 8.067 1.00 40.03 H new ATOM 0 HH21 ARG A 67 16.165 11.675 4.510 1.00 63.35 H new ATOM 0 HH22 ARG A 67 16.522 12.581 5.984 1.00 63.35 H new ATOM 1138 N ILE A 68 14.467 5.637 10.962 1.00 61.22 N ATOM 1139 CA ILE A 68 13.422 5.027 11.767 1.00 42.22 C ATOM 1140 C ILE A 68 13.605 5.439 13.229 1.00 24.30 C ATOM 1141 O ILE A 68 12.654 5.416 14.008 1.00 72.30 O ATOM 1142 CB ILE A 68 13.396 3.512 11.553 1.00 41.41 C ATOM 1143 CG1 ILE A 68 14.787 2.985 11.194 1.00 51.32 C ATOM 1144 CG2 ILE A 68 12.348 3.124 10.507 1.00 5.45 C ATOM 1145 CD1 ILE A 68 14.799 1.456 11.150 1.00 40.05 C ATOM 0 H ILE A 68 15.392 5.224 11.081 1.00 61.22 H new ATOM 0 HA ILE A 68 12.441 5.386 11.455 1.00 42.22 H new ATOM 0 HB ILE A 68 13.105 3.039 12.491 1.00 41.41 H new ATOM 0 HG12 ILE A 68 15.092 3.383 10.226 1.00 51.32 H new ATOM 0 HG13 ILE A 68 15.513 3.337 11.926 1.00 51.32 H new ATOM 0 HG21 ILE A 68 12.350 2.042 10.374 1.00 5.45 H new ATOM 0 HG22 ILE A 68 11.362 3.446 10.843 1.00 5.45 H new ATOM 0 HG23 ILE A 68 12.584 3.607 9.559 1.00 5.45 H new ATOM 0 HD11 ILE A 68 15.799 1.107 10.893 1.00 40.05 H new ATOM 0 HD12 ILE A 68 14.517 1.062 12.126 1.00 40.05 H new ATOM 0 HD13 ILE A 68 14.089 1.108 10.400 1.00 40.05 H new ATOM 1157 N MET A 69 14.835 5.806 13.558 1.00 64.55 N ATOM 1158 CA MET A 69 15.156 6.222 14.912 1.00 34.45 C ATOM 1159 C MET A 69 15.195 5.021 15.860 1.00 71.21 C ATOM 1160 O MET A 69 14.911 5.154 17.049 1.00 1.53 O ATOM 1161 CB MET A 69 14.107 7.223 15.400 1.00 32.04 C ATOM 1162 CG MET A 69 13.558 8.053 14.238 1.00 61.53 C ATOM 1163 SD MET A 69 13.323 9.745 14.753 1.00 40.20 S ATOM 1164 CE MET A 69 14.945 10.404 14.403 1.00 33.10 C ATOM 0 H MET A 69 15.622 5.824 12.909 1.00 64.55 H new ATOM 0 HA MET A 69 16.141 6.688 14.905 1.00 34.45 H new ATOM 0 HB2 MET A 69 13.291 6.691 15.889 1.00 32.04 H new ATOM 0 HB3 MET A 69 14.549 7.883 16.146 1.00 32.04 H new ATOM 0 HG2 MET A 69 14.247 8.013 13.395 1.00 61.53 H new ATOM 0 HG3 MET A 69 12.612 7.634 13.896 1.00 61.53 H new ATOM 0 HE1 MET A 69 14.973 11.461 14.668 1.00 33.10 H new ATOM 0 HE2 MET A 69 15.691 9.863 14.986 1.00 33.10 H new ATOM 0 HE3 MET A 69 15.162 10.291 13.341 1.00 33.10 H new ATOM 1174 N LEU A 70 15.549 3.875 15.297 1.00 21.11 N ATOM 1175 CA LEU A 70 15.629 2.651 16.077 1.00 43.41 C ATOM 1176 C LEU A 70 16.730 2.794 17.130 1.00 15.44 C ATOM 1177 O LEU A 70 17.711 3.504 16.916 1.00 60.12 O ATOM 1178 CB LEU A 70 15.811 1.441 15.158 1.00 10.52 C ATOM 1179 CG LEU A 70 14.551 0.621 14.872 1.00 3.40 C ATOM 1180 CD1 LEU A 70 13.348 1.533 14.626 1.00 53.21 C ATOM 1181 CD2 LEU A 70 14.781 -0.350 13.712 1.00 1.15 C ATOM 0 H LEU A 70 15.784 3.768 14.310 1.00 21.11 H new ATOM 0 HA LEU A 70 14.695 2.478 16.612 1.00 43.41 H new ATOM 0 HB2 LEU A 70 16.218 1.789 14.208 1.00 10.52 H new ATOM 0 HB3 LEU A 70 16.557 0.782 15.602 1.00 10.52 H new ATOM 0 HG LEU A 70 14.325 0.022 15.754 1.00 3.40 H new ATOM 0 HD11 LEU A 70 12.466 0.925 14.425 1.00 53.21 H new ATOM 0 HD12 LEU A 70 13.172 2.148 15.508 1.00 53.21 H new ATOM 0 HD13 LEU A 70 13.548 2.176 13.769 1.00 53.21 H new ATOM 0 HD21 LEU A 70 13.870 -0.921 13.529 1.00 1.15 H new ATOM 0 HD22 LEU A 70 15.044 0.211 12.815 1.00 1.15 H new ATOM 0 HD23 LEU A 70 15.592 -1.033 13.964 1.00 1.15 H new ATOM 1193 N PRO A 71 16.523 2.091 18.276 1.00 64.32 N ATOM 1194 CA PRO A 71 17.486 2.132 19.363 1.00 2.32 C ATOM 1195 C PRO A 71 18.724 1.297 19.032 1.00 63.23 C ATOM 1196 O PRO A 71 18.751 0.593 18.024 1.00 71.25 O ATOM 1197 CB PRO A 71 16.730 1.618 20.578 1.00 44.33 C ATOM 1198 CG PRO A 71 15.522 0.874 20.033 1.00 64.14 C ATOM 1199 CD PRO A 71 15.373 1.240 18.565 1.00 73.11 C ATOM 0 HA PRO A 71 17.872 3.135 19.545 1.00 2.32 H new ATOM 0 HB2 PRO A 71 17.357 0.958 21.178 1.00 44.33 H new ATOM 0 HB3 PRO A 71 16.423 2.441 21.224 1.00 44.33 H new ATOM 0 HG2 PRO A 71 15.653 -0.202 20.147 1.00 64.14 H new ATOM 0 HG3 PRO A 71 14.624 1.146 20.587 1.00 64.14 H new ATOM 0 HD2 PRO A 71 15.370 0.351 17.934 1.00 73.11 H new ATOM 0 HD3 PRO A 71 14.436 1.765 18.381 1.00 73.11 H new ATOM 1207 N PRO A 72 19.746 1.405 19.923 1.00 42.24 N ATOM 1208 CA PRO A 72 20.984 0.668 19.735 1.00 41.01 C ATOM 1209 C PRO A 72 20.798 -0.812 20.076 1.00 42.05 C ATOM 1210 O PRO A 72 21.740 -1.598 19.981 1.00 51.52 O ATOM 1211 CB PRO A 72 21.995 1.362 20.633 1.00 62.20 C ATOM 1212 CG PRO A 72 21.181 2.163 21.636 1.00 42.32 C ATOM 1213 CD PRO A 72 19.750 2.229 21.128 1.00 41.22 C ATOM 0 HA PRO A 72 21.323 0.672 18.699 1.00 41.01 H new ATOM 0 HB2 PRO A 72 22.632 0.636 21.138 1.00 62.20 H new ATOM 0 HB3 PRO A 72 22.650 2.012 20.054 1.00 62.20 H new ATOM 0 HG2 PRO A 72 21.216 1.692 22.619 1.00 42.32 H new ATOM 0 HG3 PRO A 72 21.593 3.166 21.748 1.00 42.32 H new ATOM 0 HD2 PRO A 72 19.048 1.848 21.870 1.00 41.22 H new ATOM 0 HD3 PRO A 72 19.455 3.255 20.907 1.00 41.22 H new ATOM 1221 N GLU A 73 19.577 -1.148 20.465 1.00 41.32 N ATOM 1222 CA GLU A 73 19.255 -2.520 20.820 1.00 45.51 C ATOM 1223 C GLU A 73 18.659 -3.253 19.617 1.00 64.40 C ATOM 1224 O GLU A 73 18.898 -4.446 19.432 1.00 15.05 O ATOM 1225 CB GLU A 73 18.305 -2.567 22.018 1.00 73.45 C ATOM 1226 CG GLU A 73 16.916 -2.050 21.636 1.00 3.45 C ATOM 1227 CD GLU A 73 15.907 -2.312 22.756 1.00 31.11 C ATOM 1228 OE1 GLU A 73 14.967 -3.099 22.571 1.00 33.12 O ATOM 1229 OE2 GLU A 73 16.126 -1.665 23.851 1.00 63.45 O ATOM 0 H GLU A 73 18.798 -0.494 20.542 1.00 41.32 H new ATOM 0 HA GLU A 73 20.176 -3.027 21.109 1.00 45.51 H new ATOM 0 HB2 GLU A 73 18.228 -3.590 22.386 1.00 73.45 H new ATOM 0 HB3 GLU A 73 18.710 -1.965 22.832 1.00 73.45 H new ATOM 0 HG2 GLU A 73 16.966 -0.981 21.429 1.00 3.45 H new ATOM 0 HG3 GLU A 73 16.582 -2.537 20.720 1.00 3.45 H new ATOM 1237 N LYS A 74 17.896 -2.510 18.830 1.00 72.13 N ATOM 1238 CA LYS A 74 17.264 -3.075 17.650 1.00 72.34 C ATOM 1239 C LYS A 74 18.340 -3.651 16.726 1.00 14.24 C ATOM 1240 O LYS A 74 19.529 -3.413 16.929 1.00 1.45 O ATOM 1241 CB LYS A 74 16.365 -2.038 16.974 1.00 11.53 C ATOM 1242 CG LYS A 74 14.892 -2.290 17.304 1.00 3.14 C ATOM 1243 CD LYS A 74 14.180 -2.981 16.140 1.00 21.21 C ATOM 1244 CE LYS A 74 13.793 -4.415 16.508 1.00 53.11 C ATOM 1245 NZ LYS A 74 12.443 -4.736 15.992 1.00 41.30 N ATOM 0 H LYS A 74 17.701 -1.521 18.986 1.00 72.13 H new ATOM 0 HA LYS A 74 16.607 -3.899 17.929 1.00 72.34 H new ATOM 0 HB2 LYS A 74 16.648 -1.038 17.301 1.00 11.53 H new ATOM 0 HB3 LYS A 74 16.511 -2.074 15.894 1.00 11.53 H new ATOM 0 HG2 LYS A 74 14.817 -2.907 18.199 1.00 3.14 H new ATOM 0 HG3 LYS A 74 14.399 -1.344 17.527 1.00 3.14 H new ATOM 0 HD2 LYS A 74 13.287 -2.418 15.869 1.00 21.21 H new ATOM 0 HD3 LYS A 74 14.830 -2.989 15.265 1.00 21.21 H new ATOM 0 HE2 LYS A 74 14.522 -5.112 16.095 1.00 53.11 H new ATOM 0 HE3 LYS A 74 13.813 -4.537 17.591 1.00 53.11 H new ATOM 0 HZ1 LYS A 74 12.196 -5.713 16.250 1.00 41.30 H new ATOM 0 HZ2 LYS A 74 11.749 -4.082 16.406 1.00 41.30 H new ATOM 0 HZ3 LYS A 74 12.435 -4.639 14.957 1.00 41.30 H new ATOM 1258 N ALA A 75 17.883 -4.397 15.732 1.00 71.43 N ATOM 1259 CA ALA A 75 18.791 -5.009 14.777 1.00 44.13 C ATOM 1260 C ALA A 75 18.153 -4.987 13.386 1.00 4.32 C ATOM 1261 O ALA A 75 17.234 -5.755 13.109 1.00 14.11 O ATOM 1262 CB ALA A 75 19.138 -6.426 15.237 1.00 72.33 C ATOM 0 H ALA A 75 16.895 -4.592 15.567 1.00 71.43 H new ATOM 0 HA ALA A 75 19.724 -4.447 14.721 1.00 44.13 H new ATOM 0 HB1 ALA A 75 19.819 -6.885 14.520 1.00 72.33 H new ATOM 0 HB2 ALA A 75 19.616 -6.384 16.216 1.00 72.33 H new ATOM 0 HB3 ALA A 75 18.227 -7.020 15.303 1.00 72.33 H new ATOM 1268 N ILE A 76 18.667 -4.098 12.549 1.00 61.04 N ATOM 1269 CA ILE A 76 18.159 -3.966 11.194 1.00 41.43 C ATOM 1270 C ILE A 76 19.153 -4.598 10.217 1.00 35.31 C ATOM 1271 O ILE A 76 20.353 -4.342 10.294 1.00 21.24 O ATOM 1272 CB ILE A 76 17.838 -2.502 10.883 1.00 72.55 C ATOM 1273 CG1 ILE A 76 16.609 -2.391 9.977 1.00 65.40 C ATOM 1274 CG2 ILE A 76 19.054 -1.788 10.289 1.00 31.40 C ATOM 1275 CD1 ILE A 76 15.979 -1.001 10.077 1.00 72.05 C ATOM 0 H ILE A 76 19.430 -3.462 12.783 1.00 61.04 H new ATOM 0 HA ILE A 76 17.218 -4.505 11.086 1.00 41.43 H new ATOM 0 HB ILE A 76 17.595 -1.999 11.819 1.00 72.55 H new ATOM 0 HG12 ILE A 76 16.895 -2.591 8.944 1.00 65.40 H new ATOM 0 HG13 ILE A 76 15.876 -3.148 10.258 1.00 65.40 H new ATOM 0 HG21 ILE A 76 18.799 -0.750 10.077 1.00 31.40 H new ATOM 0 HG22 ILE A 76 19.879 -1.821 11.001 1.00 31.40 H new ATOM 0 HG23 ILE A 76 19.352 -2.284 9.365 1.00 31.40 H new ATOM 0 HD11 ILE A 76 15.108 -0.948 9.424 1.00 72.05 H new ATOM 0 HD12 ILE A 76 15.673 -0.814 11.106 1.00 72.05 H new ATOM 0 HD13 ILE A 76 16.707 -0.249 9.772 1.00 72.05 H new ATOM 1287 N PHE A 77 18.615 -5.412 9.321 1.00 60.44 N ATOM 1288 CA PHE A 77 19.439 -6.084 8.330 1.00 43.31 C ATOM 1289 C PHE A 77 19.059 -5.648 6.914 1.00 54.24 C ATOM 1290 O PHE A 77 17.878 -5.494 6.604 1.00 42.12 O ATOM 1291 CB PHE A 77 19.181 -7.585 8.476 1.00 53.53 C ATOM 1292 CG PHE A 77 19.566 -8.152 9.843 1.00 22.42 C ATOM 1293 CD1 PHE A 77 20.877 -8.291 10.177 1.00 63.43 C ATOM 1294 CD2 PHE A 77 18.598 -8.518 10.725 1.00 34.02 C ATOM 1295 CE1 PHE A 77 21.235 -8.818 11.446 1.00 60.41 C ATOM 1296 CE2 PHE A 77 18.955 -9.045 11.994 1.00 4.03 C ATOM 1297 CZ PHE A 77 20.266 -9.184 12.328 1.00 65.01 C ATOM 0 H PHE A 77 17.619 -5.622 9.260 1.00 60.44 H new ATOM 0 HA PHE A 77 20.488 -5.835 8.488 1.00 43.31 H new ATOM 0 HB2 PHE A 77 18.124 -7.781 8.298 1.00 53.53 H new ATOM 0 HB3 PHE A 77 19.738 -8.116 7.704 1.00 53.53 H new ATOM 0 HD1 PHE A 77 21.646 -8.000 9.477 1.00 63.43 H new ATOM 0 HD2 PHE A 77 17.557 -8.408 10.460 1.00 34.02 H new ATOM 0 HE1 PHE A 77 22.276 -8.928 11.711 1.00 60.41 H new ATOM 0 HE2 PHE A 77 18.186 -9.335 12.694 1.00 4.03 H new ATOM 0 HZ PHE A 77 20.538 -9.585 13.293 1.00 65.01 H new ATOM 1307 N ILE A 78 20.081 -5.461 6.091 1.00 33.24 N ATOM 1308 CA ILE A 78 19.868 -5.046 4.715 1.00 21.12 C ATOM 1309 C ILE A 78 19.700 -6.285 3.834 1.00 72.24 C ATOM 1310 O ILE A 78 20.364 -7.298 4.047 1.00 31.21 O ATOM 1311 CB ILE A 78 20.991 -4.113 4.257 1.00 22.53 C ATOM 1312 CG1 ILE A 78 21.505 -3.262 5.420 1.00 23.11 C ATOM 1313 CG2 ILE A 78 20.542 -3.255 3.073 1.00 64.00 C ATOM 1314 CD1 ILE A 78 20.361 -2.494 6.085 1.00 22.32 C ATOM 0 H ILE A 78 21.059 -5.589 6.351 1.00 33.24 H new ATOM 0 HA ILE A 78 18.949 -4.466 4.629 1.00 21.12 H new ATOM 0 HB ILE A 78 21.825 -4.725 3.913 1.00 22.53 H new ATOM 0 HG12 ILE A 78 21.994 -3.901 6.155 1.00 23.11 H new ATOM 0 HG13 ILE A 78 22.256 -2.560 5.058 1.00 23.11 H new ATOM 0 HG21 ILE A 78 21.359 -2.601 2.767 1.00 64.00 H new ATOM 0 HG22 ILE A 78 20.263 -3.901 2.241 1.00 64.00 H new ATOM 0 HG23 ILE A 78 19.684 -2.651 3.366 1.00 64.00 H new ATOM 0 HD11 ILE A 78 20.754 -1.897 6.908 1.00 22.32 H new ATOM 0 HD12 ILE A 78 19.890 -1.838 5.353 1.00 22.32 H new ATOM 0 HD13 ILE A 78 19.623 -3.199 6.468 1.00 22.32 H new ATOM 1326 N PHE A 79 18.808 -6.164 2.861 1.00 11.44 N ATOM 1327 CA PHE A 79 18.544 -7.261 1.947 1.00 72.25 C ATOM 1328 C PHE A 79 18.483 -6.767 0.500 1.00 53.51 C ATOM 1329 O PHE A 79 17.831 -5.764 0.210 1.00 64.21 O ATOM 1330 CB PHE A 79 17.183 -7.846 2.331 1.00 65.31 C ATOM 1331 CG PHE A 79 17.121 -8.391 3.759 1.00 5.24 C ATOM 1332 CD1 PHE A 79 16.914 -7.543 4.802 1.00 13.50 C ATOM 1333 CD2 PHE A 79 17.274 -9.723 3.987 1.00 42.13 C ATOM 1334 CE1 PHE A 79 16.856 -8.048 6.128 1.00 42.22 C ATOM 1335 CE2 PHE A 79 17.217 -10.228 5.312 1.00 32.25 C ATOM 1336 CZ PHE A 79 17.009 -9.380 6.355 1.00 10.01 C ATOM 0 H PHE A 79 18.259 -5.322 2.686 1.00 11.44 H new ATOM 0 HA PHE A 79 19.340 -8.002 2.016 1.00 72.25 H new ATOM 0 HB2 PHE A 79 16.421 -7.075 2.214 1.00 65.31 H new ATOM 0 HB3 PHE A 79 16.934 -8.648 1.636 1.00 65.31 H new ATOM 0 HD1 PHE A 79 16.794 -6.485 4.622 1.00 13.50 H new ATOM 0 HD2 PHE A 79 17.439 -10.397 3.159 1.00 42.13 H new ATOM 0 HE1 PHE A 79 16.690 -7.374 6.956 1.00 42.22 H new ATOM 0 HE2 PHE A 79 17.339 -11.286 5.492 1.00 32.25 H new ATOM 0 HZ PHE A 79 16.965 -9.765 7.363 1.00 10.01 H new ATOM 1346 N VAL A 80 19.170 -7.493 -0.370 1.00 11.54 N ATOM 1347 CA VAL A 80 19.202 -7.140 -1.779 1.00 31.11 C ATOM 1348 C VAL A 80 18.980 -8.399 -2.620 1.00 50.30 C ATOM 1349 O VAL A 80 19.487 -9.469 -2.288 1.00 42.00 O ATOM 1350 CB VAL A 80 20.513 -6.424 -2.109 1.00 53.45 C ATOM 1351 CG1 VAL A 80 20.972 -5.552 -0.939 1.00 32.55 C ATOM 1352 CG2 VAL A 80 21.599 -7.424 -2.508 1.00 23.55 C ATOM 0 H VAL A 80 19.709 -8.324 -0.126 1.00 11.54 H new ATOM 0 HA VAL A 80 18.398 -6.444 -2.017 1.00 31.11 H new ATOM 0 HB VAL A 80 20.331 -5.770 -2.962 1.00 53.45 H new ATOM 0 HG11 VAL A 80 21.906 -5.055 -1.200 1.00 32.55 H new ATOM 0 HG12 VAL A 80 20.210 -4.803 -0.723 1.00 32.55 H new ATOM 0 HG13 VAL A 80 21.127 -6.176 -0.059 1.00 32.55 H new ATOM 0 HG21 VAL A 80 22.520 -6.888 -2.737 1.00 23.55 H new ATOM 0 HG22 VAL A 80 21.777 -8.116 -1.685 1.00 23.55 H new ATOM 0 HG23 VAL A 80 21.275 -7.982 -3.387 1.00 23.55 H new ATOM 1362 N ASN A 81 18.221 -8.229 -3.693 1.00 4.41 N ATOM 1363 CA ASN A 81 17.926 -9.338 -4.584 1.00 40.41 C ATOM 1364 C ASN A 81 17.626 -10.587 -3.754 1.00 65.51 C ATOM 1365 O ASN A 81 18.239 -11.634 -3.958 1.00 64.23 O ATOM 1366 CB ASN A 81 19.118 -9.647 -5.492 1.00 21.33 C ATOM 1367 CG ASN A 81 19.354 -8.514 -6.493 1.00 22.45 C ATOM 1368 OD1 ASN A 81 19.494 -7.317 -5.931 1.00 72.30 O flip ATOM 1369 ND2 ASN A 81 19.406 -8.714 -7.695 1.00 43.01 N flip ATOM 0 H ASN A 81 17.802 -7.340 -3.965 1.00 4.41 H new ATOM 0 HA ASN A 81 17.069 -9.060 -5.197 1.00 40.41 H new ATOM 0 HB2 ASN A 81 20.012 -9.794 -4.886 1.00 21.33 H new ATOM 0 HB3 ASN A 81 18.939 -10.579 -6.028 1.00 21.33 H new ATOM 0 HD21 ASN A 81 19.290 -9.659 -8.060 1.00 43.01 H new ATOM 0 HD22 ASN A 81 19.565 -7.936 -8.335 1.00 43.01 H new ATOM 1376 N ASP A 82 16.684 -10.437 -2.835 1.00 51.23 N ATOM 1377 CA ASP A 82 16.296 -11.540 -1.973 1.00 74.45 C ATOM 1378 C ASP A 82 17.548 -12.160 -1.350 1.00 11.44 C ATOM 1379 O ASP A 82 17.695 -13.381 -1.325 1.00 15.40 O ATOM 1380 CB ASP A 82 15.574 -12.631 -2.767 1.00 71.20 C ATOM 1381 CG ASP A 82 14.327 -12.165 -3.521 1.00 41.42 C ATOM 1382 OD1 ASP A 82 14.414 -11.365 -4.465 1.00 74.10 O ATOM 1383 OD2 ASP A 82 13.215 -12.664 -3.098 1.00 44.40 O ATOM 0 H ASP A 82 16.178 -9.567 -2.668 1.00 51.23 H new ATOM 0 HA ASP A 82 15.628 -11.149 -1.206 1.00 74.45 H new ATOM 0 HB2 ASP A 82 16.274 -13.061 -3.484 1.00 71.20 H new ATOM 0 HB3 ASP A 82 15.289 -13.429 -2.082 1.00 71.20 H new ATOM 1389 N THR A 83 18.419 -11.289 -0.861 1.00 31.21 N ATOM 1390 CA THR A 83 19.654 -11.735 -0.239 1.00 30.33 C ATOM 1391 C THR A 83 19.961 -10.894 1.002 1.00 54.55 C ATOM 1392 O THR A 83 19.149 -10.065 1.410 1.00 14.20 O ATOM 1393 CB THR A 83 20.760 -11.687 -1.295 1.00 12.42 C ATOM 1394 OG1 THR A 83 21.635 -12.751 -0.931 1.00 15.01 O ATOM 1395 CG2 THR A 83 21.629 -10.433 -1.175 1.00 52.14 C ATOM 0 H THR A 83 18.294 -10.277 -0.883 1.00 31.21 H new ATOM 0 HA THR A 83 19.569 -12.762 0.116 1.00 30.33 H new ATOM 0 HB THR A 83 20.314 -11.727 -2.289 1.00 12.42 H new ATOM 0 HG1 THR A 83 22.381 -12.793 -1.565 1.00 15.01 H new ATOM 0 HG21 THR A 83 22.398 -10.448 -1.947 1.00 52.14 H new ATOM 0 HG22 THR A 83 21.007 -9.546 -1.299 1.00 52.14 H new ATOM 0 HG23 THR A 83 22.101 -10.410 -0.193 1.00 52.14 H new ATOM 1403 N LEU A 84 21.135 -11.135 1.566 1.00 73.21 N ATOM 1404 CA LEU A 84 21.559 -10.410 2.751 1.00 13.33 C ATOM 1405 C LEU A 84 23.066 -10.158 2.678 1.00 50.54 C ATOM 1406 O LEU A 84 23.861 -11.003 3.085 1.00 1.44 O ATOM 1407 CB LEU A 84 21.120 -11.149 4.017 1.00 0.42 C ATOM 1408 CG LEU A 84 21.088 -10.318 5.302 1.00 53.24 C ATOM 1409 CD1 LEU A 84 19.923 -10.741 6.199 1.00 51.31 C ATOM 1410 CD2 LEU A 84 22.430 -10.387 6.033 1.00 35.14 C ATOM 0 H LEU A 84 21.806 -11.823 1.224 1.00 73.21 H new ATOM 0 HA LEU A 84 21.074 -9.435 2.794 1.00 13.33 H new ATOM 0 HB2 LEU A 84 20.124 -11.559 3.848 1.00 0.42 H new ATOM 0 HB3 LEU A 84 21.790 -11.994 4.171 1.00 0.42 H new ATOM 0 HG LEU A 84 20.923 -9.275 5.031 1.00 53.24 H new ATOM 0 HD11 LEU A 84 19.923 -10.135 7.105 1.00 51.31 H new ATOM 0 HD12 LEU A 84 18.983 -10.597 5.666 1.00 51.31 H new ATOM 0 HD13 LEU A 84 20.032 -11.792 6.465 1.00 51.31 H new ATOM 0 HD21 LEU A 84 22.380 -9.788 6.942 1.00 35.14 H new ATOM 0 HD22 LEU A 84 22.650 -11.423 6.292 1.00 35.14 H new ATOM 0 HD23 LEU A 84 23.217 -10.000 5.386 1.00 35.14 H new ATOM 1422 N PRO A 85 23.423 -8.960 2.141 1.00 73.04 N ATOM 1423 CA PRO A 85 24.820 -8.586 2.008 1.00 4.11 C ATOM 1424 C PRO A 85 25.414 -8.194 3.363 1.00 60.31 C ATOM 1425 O PRO A 85 24.688 -7.791 4.270 1.00 75.51 O ATOM 1426 CB PRO A 85 24.829 -7.445 1.004 1.00 52.02 C ATOM 1427 CG PRO A 85 23.405 -6.915 0.963 1.00 33.10 C ATOM 1428 CD PRO A 85 22.508 -7.934 1.647 1.00 24.40 C ATOM 0 HA PRO A 85 25.444 -9.409 1.660 1.00 4.11 H new ATOM 0 HB2 PRO A 85 25.528 -6.665 1.306 1.00 52.02 H new ATOM 0 HB3 PRO A 85 25.145 -7.793 0.020 1.00 52.02 H new ATOM 0 HG2 PRO A 85 23.342 -5.951 1.468 1.00 33.10 H new ATOM 0 HG3 PRO A 85 23.086 -6.757 -0.067 1.00 33.10 H new ATOM 0 HD2 PRO A 85 21.944 -7.481 2.462 1.00 24.40 H new ATOM 0 HD3 PRO A 85 21.782 -8.353 0.951 1.00 24.40 H new ATOM 1436 N PRO A 86 26.764 -8.330 3.460 1.00 52.23 N ATOM 1437 CA PRO A 86 27.463 -7.995 4.688 1.00 4.33 C ATOM 1438 C PRO A 86 27.568 -6.478 4.863 1.00 22.35 C ATOM 1439 O PRO A 86 27.293 -5.722 3.933 1.00 5.13 O ATOM 1440 CB PRO A 86 28.818 -8.674 4.568 1.00 52.25 C ATOM 1441 CG PRO A 86 29.004 -8.973 3.089 1.00 52.12 C ATOM 1442 CD PRO A 86 27.656 -8.804 2.406 1.00 4.21 C ATOM 0 HA PRO A 86 26.937 -8.340 5.578 1.00 4.33 H new ATOM 0 HB2 PRO A 86 29.613 -8.027 4.939 1.00 52.25 H new ATOM 0 HB3 PRO A 86 28.850 -9.589 5.159 1.00 52.25 H new ATOM 0 HG2 PRO A 86 29.740 -8.298 2.653 1.00 52.12 H new ATOM 0 HG3 PRO A 86 29.379 -9.987 2.949 1.00 52.12 H new ATOM 0 HD2 PRO A 86 27.715 -8.089 1.585 1.00 4.21 H new ATOM 0 HD3 PRO A 86 27.305 -9.746 1.984 1.00 4.21 H new ATOM 1450 N THR A 87 27.967 -6.079 6.063 1.00 75.55 N ATOM 1451 CA THR A 87 28.111 -4.667 6.372 1.00 63.14 C ATOM 1452 C THR A 87 29.445 -4.139 5.839 1.00 14.40 C ATOM 1453 O THR A 87 29.652 -2.928 5.766 1.00 60.45 O ATOM 1454 CB THR A 87 27.950 -4.495 7.883 1.00 14.12 C ATOM 1455 OG1 THR A 87 28.461 -3.190 8.141 1.00 53.14 O ATOM 1456 CG2 THR A 87 28.872 -5.420 8.680 1.00 73.01 C ATOM 0 H THR A 87 28.195 -6.709 6.832 1.00 75.55 H new ATOM 0 HA THR A 87 27.341 -4.073 5.879 1.00 63.14 H new ATOM 0 HB THR A 87 26.914 -4.688 8.161 1.00 14.12 H new ATOM 0 HG1 THR A 87 28.393 -2.996 9.099 1.00 53.14 H new ATOM 0 HG21 THR A 87 28.717 -5.257 9.747 1.00 73.01 H new ATOM 0 HG22 THR A 87 28.646 -6.458 8.435 1.00 73.01 H new ATOM 0 HG23 THR A 87 29.910 -5.205 8.427 1.00 73.01 H new ATOM 1464 N ALA A 88 30.314 -5.072 5.481 1.00 20.01 N ATOM 1465 CA ALA A 88 31.622 -4.716 4.957 1.00 13.55 C ATOM 1466 C ALA A 88 31.521 -4.508 3.445 1.00 43.20 C ATOM 1467 O ALA A 88 32.306 -3.759 2.864 1.00 15.02 O ATOM 1468 CB ALA A 88 32.634 -5.800 5.331 1.00 4.11 C ATOM 0 H ALA A 88 30.138 -6.075 5.543 1.00 20.01 H new ATOM 0 HA ALA A 88 31.970 -3.781 5.396 1.00 13.55 H new ATOM 0 HB1 ALA A 88 33.615 -5.533 4.938 1.00 4.11 H new ATOM 0 HB2 ALA A 88 32.689 -5.887 6.416 1.00 4.11 H new ATOM 0 HB3 ALA A 88 32.320 -6.753 4.906 1.00 4.11 H new ATOM 1474 N ALA A 89 30.550 -5.184 2.850 1.00 34.12 N ATOM 1475 CA ALA A 89 30.336 -5.083 1.416 1.00 25.14 C ATOM 1476 C ALA A 89 30.356 -3.610 1.005 1.00 41.42 C ATOM 1477 O ALA A 89 29.812 -2.758 1.706 1.00 32.21 O ATOM 1478 CB ALA A 89 29.023 -5.775 1.045 1.00 1.44 C ATOM 0 H ALA A 89 29.902 -5.805 3.335 1.00 34.12 H new ATOM 0 HA ALA A 89 31.134 -5.588 0.872 1.00 25.14 H new ATOM 0 HB1 ALA A 89 28.863 -5.699 -0.030 1.00 1.44 H new ATOM 0 HB2 ALA A 89 29.072 -6.826 1.331 1.00 1.44 H new ATOM 0 HB3 ALA A 89 28.197 -5.294 1.570 1.00 1.44 H new ATOM 1484 N LEU A 90 30.989 -3.354 -0.131 1.00 2.24 N ATOM 1485 CA LEU A 90 31.087 -1.998 -0.644 1.00 0.01 C ATOM 1486 C LEU A 90 29.876 -1.705 -1.533 1.00 25.24 C ATOM 1487 O LEU A 90 29.533 -2.504 -2.403 1.00 31.14 O ATOM 1488 CB LEU A 90 32.430 -1.786 -1.345 1.00 63.11 C ATOM 1489 CG LEU A 90 33.087 -0.420 -1.137 1.00 63.11 C ATOM 1490 CD1 LEU A 90 33.328 -0.148 0.349 1.00 63.20 C ATOM 1491 CD2 LEU A 90 34.373 -0.299 -1.958 1.00 20.52 C ATOM 0 H LEU A 90 31.439 -4.063 -0.710 1.00 2.24 H new ATOM 0 HA LEU A 90 31.064 -1.278 0.174 1.00 0.01 H new ATOM 0 HB2 LEU A 90 33.122 -2.556 -1.002 1.00 63.11 H new ATOM 0 HB3 LEU A 90 32.287 -1.939 -2.415 1.00 63.11 H new ATOM 0 HG LEU A 90 32.402 0.347 -1.498 1.00 63.11 H new ATOM 0 HD11 LEU A 90 33.796 0.829 0.469 1.00 63.20 H new ATOM 0 HD12 LEU A 90 32.376 -0.162 0.881 1.00 63.20 H new ATOM 0 HD13 LEU A 90 33.984 -0.917 0.758 1.00 63.20 H new ATOM 0 HD21 LEU A 90 34.820 0.681 -1.792 1.00 20.52 H new ATOM 0 HD22 LEU A 90 35.075 -1.074 -1.651 1.00 20.52 H new ATOM 0 HD23 LEU A 90 34.141 -0.418 -3.016 1.00 20.52 H new ATOM 1503 N MET A 91 29.263 -0.558 -1.283 1.00 41.31 N ATOM 1504 CA MET A 91 28.098 -0.150 -2.050 1.00 2.53 C ATOM 1505 C MET A 91 28.452 0.037 -3.527 1.00 13.44 C ATOM 1506 O MET A 91 27.565 0.160 -4.370 1.00 51.21 O ATOM 1507 CB MET A 91 27.550 1.163 -1.486 1.00 31.22 C ATOM 1508 CG MET A 91 27.273 1.042 0.014 1.00 20.31 C ATOM 1509 SD MET A 91 26.251 -0.387 0.333 1.00 42.21 S ATOM 1510 CE MET A 91 24.884 -0.041 -0.762 1.00 4.44 C ATOM 0 H MET A 91 29.551 0.102 -0.560 1.00 41.31 H new ATOM 0 HA MET A 91 27.343 -0.932 -1.973 1.00 2.53 H new ATOM 0 HB2 MET A 91 28.265 1.966 -1.664 1.00 31.22 H new ATOM 0 HB3 MET A 91 26.632 1.432 -2.008 1.00 31.22 H new ATOM 0 HG2 MET A 91 28.213 0.957 0.560 1.00 20.31 H new ATOM 0 HG3 MET A 91 26.776 1.943 0.374 1.00 20.31 H new ATOM 0 HE1 MET A 91 24.012 -0.614 -0.447 1.00 4.44 H new ATOM 0 HE2 MET A 91 24.651 1.023 -0.728 1.00 4.44 H new ATOM 0 HE3 MET A 91 25.154 -0.321 -1.780 1.00 4.44 H new ATOM 1520 N SER A 92 29.749 0.053 -3.794 1.00 43.21 N ATOM 1521 CA SER A 92 30.231 0.223 -5.154 1.00 51.14 C ATOM 1522 C SER A 92 30.244 -1.125 -5.877 1.00 70.32 C ATOM 1523 O SER A 92 29.868 -1.211 -7.045 1.00 63.33 O ATOM 1524 CB SER A 92 31.628 0.847 -5.170 1.00 53.32 C ATOM 1525 OG SER A 92 32.056 1.165 -6.492 1.00 34.12 O ATOM 0 H SER A 92 30.481 -0.049 -3.092 1.00 43.21 H new ATOM 0 HA SER A 92 29.554 0.901 -5.674 1.00 51.14 H new ATOM 0 HB2 SER A 92 31.628 1.751 -4.562 1.00 53.32 H new ATOM 0 HB3 SER A 92 32.339 0.157 -4.715 1.00 53.32 H new ATOM 0 HG SER A 92 32.056 0.353 -7.040 1.00 34.12 H new ATOM 1531 N ALA A 93 30.681 -2.145 -5.152 1.00 55.23 N ATOM 1532 CA ALA A 93 30.748 -3.485 -5.710 1.00 35.13 C ATOM 1533 C ALA A 93 29.341 -4.086 -5.752 1.00 61.00 C ATOM 1534 O ALA A 93 29.000 -4.812 -6.685 1.00 1.32 O ATOM 1535 CB ALA A 93 31.719 -4.333 -4.886 1.00 42.31 C ATOM 0 H ALA A 93 30.992 -2.070 -4.183 1.00 55.23 H new ATOM 0 HA ALA A 93 31.126 -3.457 -6.732 1.00 35.13 H new ATOM 0 HB1 ALA A 93 31.769 -5.338 -5.304 1.00 42.31 H new ATOM 0 HB2 ALA A 93 32.710 -3.879 -4.911 1.00 42.31 H new ATOM 0 HB3 ALA A 93 31.370 -4.386 -3.855 1.00 42.31 H new ATOM 1541 N ILE A 94 28.563 -3.761 -4.730 1.00 74.53 N ATOM 1542 CA ILE A 94 27.201 -4.260 -4.639 1.00 72.21 C ATOM 1543 C ILE A 94 26.369 -3.672 -5.781 1.00 24.21 C ATOM 1544 O ILE A 94 25.850 -4.408 -6.619 1.00 24.34 O ATOM 1545 CB ILE A 94 26.621 -3.984 -3.250 1.00 51.25 C ATOM 1546 CG1 ILE A 94 27.397 -4.742 -2.171 1.00 52.14 C ATOM 1547 CG2 ILE A 94 25.124 -4.299 -3.209 1.00 23.04 C ATOM 1548 CD1 ILE A 94 27.029 -6.227 -2.173 1.00 11.02 C ATOM 0 H ILE A 94 28.849 -3.159 -3.958 1.00 74.53 H new ATOM 0 HA ILE A 94 27.184 -5.343 -4.757 1.00 72.21 H new ATOM 0 HB ILE A 94 26.732 -2.921 -3.038 1.00 51.25 H new ATOM 0 HG12 ILE A 94 28.468 -4.629 -2.341 1.00 52.14 H new ATOM 0 HG13 ILE A 94 27.182 -4.312 -1.193 1.00 52.14 H new ATOM 0 HG21 ILE A 94 24.736 -4.094 -2.211 1.00 23.04 H new ATOM 0 HG22 ILE A 94 24.601 -3.677 -3.936 1.00 23.04 H new ATOM 0 HG23 ILE A 94 24.967 -5.350 -3.451 1.00 23.04 H new ATOM 0 HD11 ILE A 94 27.594 -6.743 -1.397 1.00 11.02 H new ATOM 0 HD12 ILE A 94 25.962 -6.338 -1.979 1.00 11.02 H new ATOM 0 HD13 ILE A 94 27.268 -6.660 -3.144 1.00 11.02 H new ATOM 1560 N TYR A 95 26.269 -2.351 -5.778 1.00 32.14 N ATOM 1561 CA TYR A 95 25.509 -1.656 -6.803 1.00 2.22 C ATOM 1562 C TYR A 95 26.046 -1.981 -8.198 1.00 73.43 C ATOM 1563 O TYR A 95 25.321 -1.873 -9.187 1.00 5.25 O ATOM 1564 CB TYR A 95 25.702 -0.163 -6.531 1.00 3.32 C ATOM 1565 CG TYR A 95 25.139 0.747 -7.624 1.00 71.14 C ATOM 1566 CD1 TYR A 95 25.744 0.792 -8.864 1.00 4.51 C ATOM 1567 CD2 TYR A 95 24.025 1.522 -7.372 1.00 24.04 C ATOM 1568 CE1 TYR A 95 25.214 1.649 -9.893 1.00 61.43 C ATOM 1569 CE2 TYR A 95 23.495 2.378 -8.401 1.00 2.11 C ATOM 1570 CZ TYR A 95 24.116 2.399 -9.611 1.00 13.11 C ATOM 1571 OH TYR A 95 23.615 3.208 -10.583 1.00 71.31 O ATOM 0 H TYR A 95 26.702 -1.744 -5.082 1.00 32.14 H new ATOM 0 HA TYR A 95 24.461 -1.955 -6.773 1.00 2.22 H new ATOM 0 HB2 TYR A 95 25.226 0.088 -5.583 1.00 3.32 H new ATOM 0 HB3 TYR A 95 26.767 0.040 -6.416 1.00 3.32 H new ATOM 0 HD1 TYR A 95 26.615 0.185 -9.062 1.00 4.51 H new ATOM 0 HD2 TYR A 95 23.551 1.486 -6.402 1.00 24.04 H new ATOM 0 HE1 TYR A 95 25.679 1.695 -10.867 1.00 61.43 H new ATOM 0 HE2 TYR A 95 22.624 2.990 -8.216 1.00 2.11 H new ATOM 0 HH TYR A 95 22.914 2.732 -11.075 1.00 71.31 H new ATOM 1581 N GLN A 96 27.311 -2.374 -8.234 1.00 74.13 N ATOM 1582 CA GLN A 96 27.952 -2.716 -9.492 1.00 64.22 C ATOM 1583 C GLN A 96 27.294 -3.954 -10.105 1.00 13.21 C ATOM 1584 O GLN A 96 27.140 -4.041 -11.322 1.00 64.22 O ATOM 1585 CB GLN A 96 29.455 -2.933 -9.300 1.00 33.20 C ATOM 1586 CG GLN A 96 30.248 -1.704 -9.749 1.00 21.40 C ATOM 1587 CD GLN A 96 31.665 -1.726 -9.173 1.00 23.42 C ATOM 1588 OE1 GLN A 96 32.150 -0.758 -8.611 1.00 50.33 O ATOM 1589 NE2 GLN A 96 32.300 -2.883 -9.343 1.00 5.55 N ATOM 0 H GLN A 96 27.909 -2.463 -7.412 1.00 74.13 H new ATOM 0 HA GLN A 96 27.823 -1.881 -10.181 1.00 64.22 H new ATOM 0 HB2 GLN A 96 29.665 -3.142 -8.251 1.00 33.20 H new ATOM 0 HB3 GLN A 96 29.776 -3.805 -9.869 1.00 33.20 H new ATOM 0 HG2 GLN A 96 30.294 -1.674 -10.838 1.00 21.40 H new ATOM 0 HG3 GLN A 96 29.735 -0.798 -9.427 1.00 21.40 H new ATOM 0 HE21 GLN A 96 31.836 -3.654 -9.823 1.00 5.55 H new ATOM 0 HE22 GLN A 96 33.251 -2.999 -8.993 1.00 5.55 H new ATOM 1598 N GLU A 97 26.922 -4.880 -9.233 1.00 53.43 N ATOM 1599 CA GLU A 97 26.283 -6.108 -9.673 1.00 70.34 C ATOM 1600 C GLU A 97 24.812 -6.121 -9.254 1.00 33.41 C ATOM 1601 O GLU A 97 24.088 -7.073 -9.544 1.00 24.23 O ATOM 1602 CB GLU A 97 27.019 -7.334 -9.129 1.00 61.34 C ATOM 1603 CG GLU A 97 28.332 -7.564 -9.881 1.00 75.24 C ATOM 1604 CD GLU A 97 28.805 -9.011 -9.728 1.00 72.23 C ATOM 1605 OE1 GLU A 97 28.468 -9.865 -10.562 1.00 45.03 O ATOM 1606 OE2 GLU A 97 29.549 -9.235 -8.699 1.00 24.30 O ATOM 0 H GLU A 97 27.051 -4.804 -8.224 1.00 53.43 H new ATOM 0 HA GLU A 97 26.331 -6.150 -10.761 1.00 70.34 H new ATOM 0 HB2 GLU A 97 27.223 -7.198 -8.067 1.00 61.34 H new ATOM 0 HB3 GLU A 97 26.384 -8.215 -9.222 1.00 61.34 H new ATOM 0 HG2 GLU A 97 28.196 -7.332 -10.937 1.00 75.24 H new ATOM 0 HG3 GLU A 97 29.096 -6.886 -9.502 1.00 75.24 H new ATOM 1614 N HIS A 98 24.412 -5.054 -8.578 1.00 45.13 N ATOM 1615 CA HIS A 98 23.040 -4.931 -8.116 1.00 44.31 C ATOM 1616 C HIS A 98 22.348 -3.790 -8.864 1.00 15.21 C ATOM 1617 O HIS A 98 21.134 -3.621 -8.759 1.00 13.53 O ATOM 1618 CB HIS A 98 22.992 -4.759 -6.597 1.00 24.14 C ATOM 1619 CG HIS A 98 23.283 -6.025 -5.826 1.00 72.01 C ATOM 1620 ND1 HIS A 98 24.396 -6.417 -5.143 1.00 33.11 N flip ATOM 1621 CD2 HIS A 98 22.366 -7.054 -5.702 1.00 23.00 C flip ATOM 1622 CE1 HIS A 98 24.171 -7.619 -4.628 1.00 71.41 C flip ATOM 1623 NE2 HIS A 98 22.913 -8.016 -4.974 1.00 62.52 N flip ATOM 0 H HIS A 98 25.014 -4.266 -8.339 1.00 45.13 H new ATOM 0 HA HIS A 98 22.494 -5.848 -8.337 1.00 44.31 H new ATOM 0 HB2 HIS A 98 23.712 -3.994 -6.305 1.00 24.14 H new ATOM 0 HB3 HIS A 98 22.005 -4.392 -6.314 1.00 24.14 H new ATOM 0 HD2 HIS A 98 21.373 -7.070 -6.127 1.00 23.00 H new ATOM 0 HE1 HIS A 98 24.869 -8.189 -4.033 1.00 71.41 H new ATOM 0 HE2 HIS A 98 22.471 -8.899 -4.717 1.00 62.52 H new ATOM 1631 N LYS A 99 23.149 -3.037 -9.602 1.00 40.55 N ATOM 1632 CA LYS A 99 22.628 -1.916 -10.368 1.00 23.43 C ATOM 1633 C LYS A 99 21.428 -2.383 -11.193 1.00 54.34 C ATOM 1634 O LYS A 99 21.411 -3.507 -11.692 1.00 24.13 O ATOM 1635 CB LYS A 99 23.738 -1.276 -11.204 1.00 24.43 C ATOM 1636 CG LYS A 99 23.164 -0.590 -12.444 1.00 52.34 C ATOM 1637 CD LYS A 99 23.156 -1.540 -13.643 1.00 64.33 C ATOM 1638 CE LYS A 99 24.581 -1.836 -14.117 1.00 52.13 C ATOM 1639 NZ LYS A 99 24.946 -0.950 -15.245 1.00 41.21 N ATOM 0 H LYS A 99 24.155 -3.180 -9.687 1.00 40.55 H new ATOM 0 HA LYS A 99 22.271 -1.131 -9.701 1.00 23.43 H new ATOM 0 HB2 LYS A 99 24.280 -0.549 -10.600 1.00 24.43 H new ATOM 0 HB3 LYS A 99 24.456 -2.038 -11.506 1.00 24.43 H new ATOM 0 HG2 LYS A 99 22.149 -0.250 -12.239 1.00 52.34 H new ATOM 0 HG3 LYS A 99 23.755 0.295 -12.681 1.00 52.34 H new ATOM 0 HD2 LYS A 99 22.659 -2.471 -13.371 1.00 64.33 H new ATOM 0 HD3 LYS A 99 22.582 -1.098 -14.458 1.00 64.33 H new ATOM 0 HE2 LYS A 99 25.281 -1.694 -13.294 1.00 52.13 H new ATOM 0 HE3 LYS A 99 24.659 -2.878 -14.426 1.00 52.13 H new ATOM 0 HZ1 LYS A 99 25.916 -1.164 -15.555 1.00 41.21 H new ATOM 0 HZ2 LYS A 99 24.288 -1.105 -16.035 1.00 41.21 H new ATOM 0 HZ3 LYS A 99 24.891 0.042 -14.939 1.00 41.21 H new ATOM 1652 N ASP A 100 20.451 -1.495 -11.313 1.00 4.12 N ATOM 1653 CA ASP A 100 19.249 -1.801 -12.070 1.00 24.45 C ATOM 1654 C ASP A 100 19.363 -1.191 -13.468 1.00 61.41 C ATOM 1655 O ASP A 100 20.366 -0.558 -13.793 1.00 62.13 O ATOM 1656 CB ASP A 100 18.009 -1.211 -11.396 1.00 20.32 C ATOM 1657 CG ASP A 100 16.716 -1.998 -11.619 1.00 71.11 C ATOM 1658 OD1 ASP A 100 16.154 -2.003 -12.725 1.00 22.14 O ATOM 1659 OD2 ASP A 100 16.279 -2.634 -10.585 1.00 63.02 O ATOM 0 H ASP A 100 20.468 -0.563 -10.898 1.00 4.12 H new ATOM 0 HA ASP A 100 19.150 -2.885 -12.122 1.00 24.45 H new ATOM 0 HB2 ASP A 100 18.195 -1.142 -10.324 1.00 20.32 H new ATOM 0 HB3 ASP A 100 17.865 -0.194 -11.760 1.00 20.32 H new ATOM 1665 N LYS A 101 18.321 -1.404 -14.258 1.00 11.20 N ATOM 1666 CA LYS A 101 18.291 -0.883 -15.614 1.00 41.21 C ATOM 1667 C LYS A 101 17.974 0.613 -15.574 1.00 42.51 C ATOM 1668 O LYS A 101 18.188 1.323 -16.556 1.00 3.45 O ATOM 1669 CB LYS A 101 17.323 -1.694 -16.478 1.00 44.44 C ATOM 1670 CG LYS A 101 18.000 -2.952 -17.026 1.00 50.23 C ATOM 1671 CD LYS A 101 17.503 -3.271 -18.438 1.00 4.11 C ATOM 1672 CE LYS A 101 18.403 -2.626 -19.494 1.00 54.13 C ATOM 1673 NZ LYS A 101 19.638 -3.420 -19.678 1.00 41.10 N ATOM 0 H LYS A 101 17.491 -1.930 -13.985 1.00 11.20 H new ATOM 0 HA LYS A 101 19.268 -0.990 -16.085 1.00 41.21 H new ATOM 0 HB2 LYS A 101 16.450 -1.974 -15.888 1.00 44.44 H new ATOM 0 HB3 LYS A 101 16.965 -1.080 -17.304 1.00 44.44 H new ATOM 0 HG2 LYS A 101 19.081 -2.811 -17.040 1.00 50.23 H new ATOM 0 HG3 LYS A 101 17.797 -3.795 -16.366 1.00 50.23 H new ATOM 0 HD2 LYS A 101 17.481 -4.351 -18.584 1.00 4.11 H new ATOM 0 HD3 LYS A 101 16.481 -2.912 -18.558 1.00 4.11 H new ATOM 0 HE2 LYS A 101 17.867 -2.551 -20.440 1.00 54.13 H new ATOM 0 HE3 LYS A 101 18.658 -1.610 -19.191 1.00 54.13 H new ATOM 0 HZ1 LYS A 101 20.380 -2.817 -20.087 1.00 41.10 H new ATOM 0 HZ2 LYS A 101 19.956 -3.785 -18.758 1.00 41.10 H new ATOM 0 HZ3 LYS A 101 19.446 -4.216 -20.319 1.00 41.10 H new ATOM 1686 N ASP A 102 17.469 1.048 -14.429 1.00 40.41 N ATOM 1687 CA ASP A 102 17.120 2.447 -14.248 1.00 45.44 C ATOM 1688 C ASP A 102 18.317 3.194 -13.656 1.00 43.33 C ATOM 1689 O ASP A 102 18.355 4.424 -13.669 1.00 75.33 O ATOM 1690 CB ASP A 102 15.943 2.601 -13.284 1.00 11.42 C ATOM 1691 CG ASP A 102 15.143 3.896 -13.442 1.00 32.14 C ATOM 1692 OD1 ASP A 102 15.482 4.932 -12.851 1.00 14.14 O ATOM 1693 OD2 ASP A 102 14.118 3.812 -14.220 1.00 73.22 O ATOM 0 H ASP A 102 17.293 0.456 -13.617 1.00 40.41 H new ATOM 0 HA ASP A 102 16.845 2.854 -15.221 1.00 45.44 H new ATOM 0 HB2 ASP A 102 15.268 1.756 -13.420 1.00 11.42 H new ATOM 0 HB3 ASP A 102 16.320 2.547 -12.263 1.00 11.42 H new ATOM 1699 N GLY A 103 19.266 2.420 -13.151 1.00 45.13 N ATOM 1700 CA GLY A 103 20.462 2.993 -12.556 1.00 14.03 C ATOM 1701 C GLY A 103 20.451 2.825 -11.035 1.00 12.11 C ATOM 1702 O GLY A 103 21.349 2.203 -10.469 1.00 75.02 O ATOM 0 H GLY A 103 19.231 1.401 -13.141 1.00 45.13 H new ATOM 0 HA2 GLY A 103 21.347 2.511 -12.972 1.00 14.03 H new ATOM 0 HA3 GLY A 103 20.527 4.051 -12.808 1.00 14.03 H new ATOM 1706 N PHE A 104 19.425 3.391 -10.416 1.00 72.24 N ATOM 1707 CA PHE A 104 19.285 3.312 -8.972 1.00 63.42 C ATOM 1708 C PHE A 104 19.452 1.871 -8.483 1.00 42.34 C ATOM 1709 O PHE A 104 19.627 0.956 -9.286 1.00 62.02 O ATOM 1710 CB PHE A 104 17.873 3.793 -8.632 1.00 64.42 C ATOM 1711 CG PHE A 104 17.809 5.245 -8.154 1.00 20.53 C ATOM 1712 CD1 PHE A 104 18.076 5.545 -6.854 1.00 73.33 C ATOM 1713 CD2 PHE A 104 17.485 6.235 -9.028 1.00 22.12 C ATOM 1714 CE1 PHE A 104 18.016 6.892 -6.410 1.00 41.23 C ATOM 1715 CE2 PHE A 104 17.426 7.582 -8.584 1.00 15.33 C ATOM 1716 CZ PHE A 104 17.692 7.883 -7.284 1.00 62.54 C ATOM 0 H PHE A 104 18.682 3.906 -10.889 1.00 72.24 H new ATOM 0 HA PHE A 104 20.049 3.922 -8.490 1.00 63.42 H new ATOM 0 HB2 PHE A 104 17.241 3.683 -9.513 1.00 64.42 H new ATOM 0 HB3 PHE A 104 17.457 3.148 -7.858 1.00 64.42 H new ATOM 0 HD1 PHE A 104 18.334 4.759 -6.160 1.00 73.33 H new ATOM 0 HD2 PHE A 104 17.273 5.997 -10.060 1.00 22.12 H new ATOM 0 HE1 PHE A 104 18.228 7.130 -5.378 1.00 41.23 H new ATOM 0 HE2 PHE A 104 17.170 8.368 -9.278 1.00 15.33 H new ATOM 0 HZ PHE A 104 17.646 8.908 -6.946 1.00 62.54 H new ATOM 1726 N LEU A 105 19.392 1.716 -7.169 1.00 61.41 N ATOM 1727 CA LEU A 105 19.534 0.402 -6.564 1.00 3.32 C ATOM 1728 C LEU A 105 18.233 0.031 -5.849 1.00 42.15 C ATOM 1729 O LEU A 105 17.456 0.907 -5.473 1.00 73.13 O ATOM 1730 CB LEU A 105 20.767 0.360 -5.658 1.00 53.40 C ATOM 1731 CG LEU A 105 21.456 -0.999 -5.525 1.00 74.32 C ATOM 1732 CD1 LEU A 105 21.652 -1.651 -6.896 1.00 11.54 C ATOM 1733 CD2 LEU A 105 22.772 -0.874 -4.756 1.00 44.03 C ATOM 0 H LEU A 105 19.247 2.478 -6.506 1.00 61.41 H new ATOM 0 HA LEU A 105 19.704 -0.354 -7.331 1.00 3.32 H new ATOM 0 HB2 LEU A 105 21.495 1.079 -6.035 1.00 53.40 H new ATOM 0 HB3 LEU A 105 20.474 0.695 -4.663 1.00 53.40 H new ATOM 0 HG LEU A 105 20.807 -1.656 -4.946 1.00 74.32 H new ATOM 0 HD11 LEU A 105 22.144 -2.616 -6.773 1.00 11.54 H new ATOM 0 HD12 LEU A 105 20.682 -1.796 -7.372 1.00 11.54 H new ATOM 0 HD13 LEU A 105 22.270 -1.006 -7.521 1.00 11.54 H new ATOM 0 HD21 LEU A 105 23.241 -1.855 -4.676 1.00 44.03 H new ATOM 0 HD22 LEU A 105 23.440 -0.194 -5.286 1.00 44.03 H new ATOM 0 HD23 LEU A 105 22.574 -0.484 -3.758 1.00 44.03 H new ATOM 1745 N TYR A 106 18.036 -1.269 -5.684 1.00 44.41 N ATOM 1746 CA TYR A 106 16.843 -1.766 -5.022 1.00 32.54 C ATOM 1747 C TYR A 106 17.207 -2.677 -3.847 1.00 70.12 C ATOM 1748 O TYR A 106 17.619 -3.819 -4.047 1.00 2.31 O ATOM 1749 CB TYR A 106 16.088 -2.585 -6.071 1.00 43.12 C ATOM 1750 CG TYR A 106 16.997 -3.356 -7.031 1.00 2.34 C ATOM 1751 CD1 TYR A 106 17.741 -2.675 -7.973 1.00 71.14 C ATOM 1752 CD2 TYR A 106 17.074 -4.731 -6.953 1.00 75.55 C ATOM 1753 CE1 TYR A 106 18.596 -3.401 -8.876 1.00 44.54 C ATOM 1754 CE2 TYR A 106 17.929 -5.457 -7.856 1.00 40.15 C ATOM 1755 CZ TYR A 106 18.648 -4.756 -8.773 1.00 43.43 C ATOM 1756 OH TYR A 106 19.456 -5.441 -9.626 1.00 42.32 O ATOM 0 H TYR A 106 18.683 -1.993 -5.998 1.00 44.41 H new ATOM 0 HA TYR A 106 16.250 -0.940 -4.630 1.00 32.54 H new ATOM 0 HB2 TYR A 106 15.432 -3.291 -5.562 1.00 43.12 H new ATOM 0 HB3 TYR A 106 15.450 -1.916 -6.649 1.00 43.12 H new ATOM 0 HD1 TYR A 106 17.682 -1.598 -8.033 1.00 71.14 H new ATOM 0 HD2 TYR A 106 16.493 -5.263 -6.214 1.00 75.55 H new ATOM 0 HE1 TYR A 106 19.183 -2.881 -9.619 1.00 44.54 H new ATOM 0 HE2 TYR A 106 17.998 -6.534 -7.806 1.00 40.15 H new ATOM 0 HH TYR A 106 20.330 -5.000 -9.674 1.00 42.32 H new ATOM 1766 N VAL A 107 17.042 -2.138 -2.648 1.00 55.14 N ATOM 1767 CA VAL A 107 17.348 -2.888 -1.442 1.00 13.41 C ATOM 1768 C VAL A 107 16.225 -2.685 -0.422 1.00 43.20 C ATOM 1769 O VAL A 107 15.431 -1.754 -0.545 1.00 10.32 O ATOM 1770 CB VAL A 107 18.722 -2.480 -0.907 1.00 61.12 C ATOM 1771 CG1 VAL A 107 19.006 -1.004 -1.193 1.00 32.14 C ATOM 1772 CG2 VAL A 107 18.840 -2.782 0.588 1.00 22.21 C ATOM 0 H VAL A 107 16.700 -1.191 -2.486 1.00 55.14 H new ATOM 0 HA VAL A 107 17.402 -3.955 -1.659 1.00 13.41 H new ATOM 0 HB VAL A 107 19.474 -3.072 -1.428 1.00 61.12 H new ATOM 0 HG11 VAL A 107 19.989 -0.740 -0.802 1.00 32.14 H new ATOM 0 HG12 VAL A 107 18.985 -0.831 -2.269 1.00 32.14 H new ATOM 0 HG13 VAL A 107 18.247 -0.387 -0.712 1.00 32.14 H new ATOM 0 HG21 VAL A 107 19.826 -2.482 0.943 1.00 22.21 H new ATOM 0 HG22 VAL A 107 18.075 -2.229 1.132 1.00 22.21 H new ATOM 0 HG23 VAL A 107 18.703 -3.850 0.755 1.00 22.21 H new ATOM 1782 N THR A 108 16.196 -3.572 0.562 1.00 53.23 N ATOM 1783 CA THR A 108 15.184 -3.502 1.602 1.00 12.12 C ATOM 1784 C THR A 108 15.765 -3.955 2.943 1.00 43.31 C ATOM 1785 O THR A 108 16.494 -4.944 3.005 1.00 13.03 O ATOM 1786 CB THR A 108 13.982 -4.333 1.149 1.00 32.14 C ATOM 1787 OG1 THR A 108 13.340 -3.514 0.176 1.00 10.21 O ATOM 1788 CG2 THR A 108 12.933 -4.494 2.251 1.00 14.03 C ATOM 0 H THR A 108 16.857 -4.343 0.661 1.00 53.23 H new ATOM 0 HA THR A 108 14.848 -2.477 1.759 1.00 12.12 H new ATOM 0 HB THR A 108 14.322 -5.317 0.825 1.00 32.14 H new ATOM 0 HG1 THR A 108 12.528 -3.124 0.561 1.00 10.21 H new ATOM 0 HG21 THR A 108 12.101 -5.092 1.877 1.00 14.03 H new ATOM 0 HG22 THR A 108 13.381 -4.993 3.110 1.00 14.03 H new ATOM 0 HG23 THR A 108 12.568 -3.512 2.552 1.00 14.03 H new ATOM 1796 N TYR A 109 15.422 -3.209 3.983 1.00 52.03 N ATOM 1797 CA TYR A 109 15.901 -3.521 5.319 1.00 74.35 C ATOM 1798 C TYR A 109 14.784 -4.122 6.175 1.00 60.33 C ATOM 1799 O TYR A 109 13.614 -3.783 6.003 1.00 62.34 O ATOM 1800 CB TYR A 109 16.337 -2.190 5.932 1.00 10.52 C ATOM 1801 CG TYR A 109 15.225 -1.140 5.997 1.00 64.24 C ATOM 1802 CD1 TYR A 109 14.152 -1.324 6.844 1.00 55.43 C ATOM 1803 CD2 TYR A 109 15.297 -0.010 5.207 1.00 34.15 C ATOM 1804 CE1 TYR A 109 13.105 -0.336 6.904 1.00 23.13 C ATOM 1805 CE2 TYR A 109 14.250 0.978 5.268 1.00 24.50 C ATOM 1806 CZ TYR A 109 13.206 0.766 6.113 1.00 24.25 C ATOM 1807 OH TYR A 109 12.218 1.699 6.171 1.00 63.53 O ATOM 0 H TYR A 109 14.818 -2.389 3.927 1.00 52.03 H new ATOM 0 HA TYR A 109 16.713 -4.247 5.276 1.00 74.35 H new ATOM 0 HB2 TYR A 109 16.711 -2.371 6.940 1.00 10.52 H new ATOM 0 HB3 TYR A 109 17.168 -1.789 5.351 1.00 10.52 H new ATOM 0 HD1 TYR A 109 14.097 -2.208 7.462 1.00 55.43 H new ATOM 0 HD2 TYR A 109 16.137 0.133 4.544 1.00 34.15 H new ATOM 0 HE1 TYR A 109 12.259 -0.467 7.562 1.00 23.13 H new ATOM 0 HE2 TYR A 109 14.293 1.867 4.656 1.00 24.50 H new ATOM 0 HH TYR A 109 12.153 2.050 7.084 1.00 63.53 H new ATOM 1817 N SER A 110 15.185 -5.004 7.079 1.00 74.01 N ATOM 1818 CA SER A 110 14.232 -5.655 7.962 1.00 23.33 C ATOM 1819 C SER A 110 14.867 -5.888 9.335 1.00 73.30 C ATOM 1820 O SER A 110 16.003 -6.349 9.427 1.00 24.13 O ATOM 1821 CB SER A 110 13.748 -6.980 7.370 1.00 62.05 C ATOM 1822 OG SER A 110 13.344 -7.901 8.379 1.00 5.14 O ATOM 0 H SER A 110 16.156 -5.283 7.219 1.00 74.01 H new ATOM 0 HA SER A 110 13.367 -5.001 8.074 1.00 23.33 H new ATOM 0 HB2 SER A 110 12.912 -6.792 6.696 1.00 62.05 H new ATOM 0 HB3 SER A 110 14.545 -7.423 6.773 1.00 62.05 H new ATOM 0 HG SER A 110 14.090 -8.499 8.593 1.00 5.14 H new ATOM 1828 N GLY A 111 14.104 -5.559 10.367 1.00 22.22 N ATOM 1829 CA GLY A 111 14.577 -5.727 11.731 1.00 44.22 C ATOM 1830 C GLY A 111 14.900 -7.194 12.023 1.00 52.31 C ATOM 1831 O GLY A 111 15.551 -7.503 13.019 1.00 24.32 O ATOM 0 H GLY A 111 13.162 -5.177 10.286 1.00 22.22 H new ATOM 0 HA2 GLY A 111 15.466 -5.117 11.889 1.00 44.22 H new ATOM 0 HA3 GLY A 111 13.819 -5.372 12.429 1.00 44.22 H new ATOM 1835 N GLU A 112 14.428 -8.058 11.136 1.00 5.11 N ATOM 1836 CA GLU A 112 14.658 -9.485 11.286 1.00 4.33 C ATOM 1837 C GLU A 112 15.615 -9.985 10.202 1.00 31.32 C ATOM 1838 O GLU A 112 15.834 -9.306 9.201 1.00 53.35 O ATOM 1839 CB GLU A 112 13.339 -10.259 11.254 1.00 62.13 C ATOM 1840 CG GLU A 112 13.419 -11.515 12.123 1.00 22.42 C ATOM 1841 CD GLU A 112 12.042 -12.164 12.278 1.00 40.14 C ATOM 1842 OE1 GLU A 112 11.580 -12.377 13.409 1.00 43.25 O ATOM 1843 OE2 GLU A 112 11.446 -12.448 11.169 1.00 30.34 O ATOM 0 H GLU A 112 13.888 -7.797 10.311 1.00 5.11 H new ATOM 0 HA GLU A 112 15.119 -9.659 12.258 1.00 4.33 H new ATOM 0 HB2 GLU A 112 12.530 -9.620 11.606 1.00 62.13 H new ATOM 0 HB3 GLU A 112 13.101 -10.537 10.227 1.00 62.13 H new ATOM 0 HG2 GLU A 112 14.112 -12.227 11.676 1.00 22.42 H new ATOM 0 HG3 GLU A 112 13.816 -11.257 13.105 1.00 22.42 H new ATOM 1851 N ASN A 113 16.159 -11.170 10.439 1.00 2.20 N ATOM 1852 CA ASN A 113 17.087 -11.769 9.495 1.00 23.22 C ATOM 1853 C ASN A 113 16.335 -12.762 8.607 1.00 33.34 C ATOM 1854 O ASN A 113 16.474 -13.974 8.768 1.00 2.34 O ATOM 1855 CB ASN A 113 18.197 -12.532 10.222 1.00 13.53 C ATOM 1856 CG ASN A 113 18.970 -13.429 9.254 1.00 23.25 C ATOM 1857 OD1 ASN A 113 19.102 -12.921 8.033 1.00 42.15 O flip ATOM 1858 ND2 ASN A 113 19.418 -14.512 9.595 1.00 52.53 N flip ATOM 0 H ASN A 113 15.975 -11.731 11.271 1.00 2.20 H new ATOM 0 HA ASN A 113 17.528 -10.968 8.902 1.00 23.22 H new ATOM 0 HB2 ASN A 113 18.880 -11.826 10.693 1.00 13.53 H new ATOM 0 HB3 ASN A 113 17.765 -13.138 11.019 1.00 13.53 H new ATOM 0 HD21 ASN A 113 19.281 -14.843 10.550 1.00 52.53 H new ATOM 0 HD22 ASN A 113 19.930 -15.086 8.925 1.00 52.53 H new ATOM 1865 N THR A 114 15.553 -12.212 7.690 1.00 62.33 N ATOM 1866 CA THR A 114 14.778 -13.035 6.776 1.00 3.32 C ATOM 1867 C THR A 114 14.707 -12.377 5.397 1.00 71.24 C ATOM 1868 O THR A 114 14.605 -11.156 5.292 1.00 42.14 O ATOM 1869 CB THR A 114 13.405 -13.276 7.406 1.00 1.02 C ATOM 1870 OG1 THR A 114 13.082 -12.032 8.021 1.00 53.21 O ATOM 1871 CG2 THR A 114 13.462 -14.264 8.573 1.00 75.42 C ATOM 0 H THR A 114 15.439 -11.207 7.560 1.00 62.33 H new ATOM 0 HA THR A 114 15.252 -14.003 6.616 1.00 3.32 H new ATOM 0 HB THR A 114 12.718 -13.650 6.647 1.00 1.02 H new ATOM 0 HG1 THR A 114 12.205 -12.099 8.453 1.00 53.21 H new ATOM 0 HG21 THR A 114 12.462 -14.400 8.984 1.00 75.42 H new ATOM 0 HG22 THR A 114 13.842 -15.223 8.220 1.00 75.42 H new ATOM 0 HG23 THR A 114 14.123 -13.875 9.347 1.00 75.42 H new ATOM 1879 N PHE A 115 14.763 -13.216 4.373 1.00 71.41 N ATOM 1880 CA PHE A 115 14.706 -12.732 3.004 1.00 11.01 C ATOM 1881 C PHE A 115 13.262 -12.683 2.500 1.00 42.53 C ATOM 1882 O PHE A 115 12.998 -12.171 1.413 1.00 12.50 O ATOM 1883 CB PHE A 115 15.500 -13.720 2.147 1.00 54.32 C ATOM 1884 CG PHE A 115 16.791 -14.215 2.802 1.00 53.42 C ATOM 1885 CD1 PHE A 115 17.947 -13.518 2.637 1.00 0.14 C ATOM 1886 CD2 PHE A 115 16.782 -15.351 3.549 1.00 70.35 C ATOM 1887 CE1 PHE A 115 19.145 -13.977 3.245 1.00 23.25 C ATOM 1888 CE2 PHE A 115 17.980 -15.811 4.157 1.00 42.45 C ATOM 1889 CZ PHE A 115 19.137 -15.114 3.992 1.00 14.22 C ATOM 0 H PHE A 115 14.847 -14.228 4.464 1.00 71.41 H new ATOM 0 HA PHE A 115 15.116 -11.724 2.948 1.00 11.01 H new ATOM 0 HB2 PHE A 115 14.868 -14.578 1.920 1.00 54.32 H new ATOM 0 HB3 PHE A 115 15.746 -13.245 1.197 1.00 54.32 H new ATOM 0 HD1 PHE A 115 17.954 -12.616 2.044 1.00 0.14 H new ATOM 0 HD2 PHE A 115 15.863 -15.904 3.680 1.00 70.35 H new ATOM 0 HE1 PHE A 115 20.063 -13.423 3.114 1.00 23.25 H new ATOM 0 HE2 PHE A 115 17.973 -16.714 4.750 1.00 42.45 H new ATOM 0 HZ PHE A 115 20.049 -15.463 4.454 1.00 14.22 H new ATOM 1899 N GLY A 116 12.366 -13.222 3.313 1.00 1.32 N ATOM 1900 CA GLY A 116 10.956 -13.245 2.963 1.00 21.40 C ATOM 1901 C GLY A 116 10.336 -14.608 3.278 1.00 33.05 C ATOM 1902 O GLY A 116 10.888 -15.379 4.062 1.00 53.10 O ATOM 0 H GLY A 116 12.589 -13.646 4.213 1.00 1.32 H new ATOM 0 HA2 GLY A 116 10.428 -12.466 3.513 1.00 21.40 H new ATOM 0 HA3 GLY A 116 10.837 -13.024 1.902 1.00 21.40 H new TER 1906 GLY A 116