USER MOD reduce.3.24.130724 H: found=0, std=0, add=1160, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1155 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 59 GLN : amide:sc= 0.644 K(o=0.61,f=-4.8!) USER MOD Set 1.2: A 132 LYS NZ :NH3+ -166:sc= -0.029 (180deg=-0.247) USER MOD Set 2.1: A 66 MET CE :methyl -164:sc= -0.115 (180deg=-0.468) USER MOD Set 2.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 4 HIS : no HD1:sc= -2.82 K(o=-3.9,f=-0.19) USER MOD Set 3.2: A 70 ASN : amide:sc= -1.06 K(o=-3.9,f=-0.34) USER MOD Set 3.3: A 71 LYS NZ :NH3+ -167:sc= -0.0284 (180deg=-0.189) USER MOD Set 4.1: A 43 SER OG : rot 180:sc= 0.0588 USER MOD Set 4.2: A 46 GLN : amide:sc= 0.812 K(o=0.87,f=-5.5!) USER MOD Single : A 1 ARG N :NH3+ -102:sc= 0.0808 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.077 K(o=-0.077,f=-5.7!) USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= -0.012 (180deg=-0.15) USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= -0.935 (180deg=-0.964) USER MOD Single : A 22 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.17) USER MOD Single : A 33 LYS NZ :NH3+ -169:sc=-0.00995 (180deg=-0.166) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= -0.0277 (180deg=-0.262) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0178 K(o=-0.018,f=-3!) USER MOD Single : A 57 TYR OH : rot 0:sc= 0 USER MOD Single : A 58 MET CE :methyl -138:sc= 0 (180deg=-1.05) USER MOD Single : A 60 THR OG1 : rot -81:sc= 0.801 USER MOD Single : A 61 HIS : no HD1:sc= -0.0634 X(o=-0.063,f=-0.0011) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 110:sc= -0.0773 USER MOD Single : A 72 LYS NZ :NH3+ -167:sc= -0.0155 (180deg=-0.209) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -11:sc= 0.726 USER MOD Single : A 98 MET CE :methyl 179:sc= -1.96 (180deg=-1.98) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= -0.0622 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -0.0827 K(o=-0.083,f=-0.97) USER MOD Single : A 110 MET CE :methyl -117:sc= -0.158 (180deg=-1.02) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 150:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl -178:sc= -0.971 (180deg=-0.972) USER MOD Single : A 122 ASN : amide:sc= -0.63 K(o=-0.63,f=-1.3) USER MOD Single : A 124 MET CE :methyl -170:sc= 0 (180deg=-0.0938) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl -130:sc= -0.291 (180deg=-3.51!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.453 -5.995 -5.034 1.00999.99 N ATOM 2 CA ARG A 1 1.957 -5.108 -3.973 1.00999.99 C ATOM 3 C ARG A 1 1.175 -3.942 -4.566 1.00999.99 C ATOM 4 O ARG A 1 1.311 -3.626 -5.748 1.00999.99 O ATOM 5 CB ARG A 1 3.101 -4.543 -3.113 1.00999.99 C ATOM 6 CG ARG A 1 3.621 -5.491 -2.043 1.00999.99 C ATOM 7 CD ARG A 1 4.800 -4.893 -1.291 1.00999.99 C ATOM 8 NE ARG A 1 5.208 -5.724 -0.158 1.00999.99 N ATOM 9 CZ ARG A 1 6.027 -6.769 -0.260 1.00999.99 C ATOM 10 NH1 ARG A 1 6.538 -7.101 -1.439 1.00999.99 N1+ ATOM 11 NH2 ARG A 1 6.336 -7.477 0.818 1.00999.99 N ATOM 0 H1 ARG A 1 1.849 -6.839 -5.091 1.00999.99 H new ATOM 0 H2 ARG A 1 2.433 -5.492 -5.944 1.00999.99 H new ATOM 0 H3 ARG A 1 3.429 -6.282 -4.818 1.00999.99 H new ATOM 0 HA ARG A 1 1.307 -5.713 -3.341 1.00999.99 H new ATOM 0 HB2 ARG A 1 3.928 -4.268 -3.768 1.00999.99 H new ATOM 0 HB3 ARG A 1 2.757 -3.627 -2.632 1.00999.99 H new ATOM 0 HG2 ARG A 1 2.820 -5.722 -1.341 1.00999.99 H new ATOM 0 HG3 ARG A 1 3.922 -6.432 -2.504 1.00999.99 H new ATOM 0 HD2 ARG A 1 5.641 -4.773 -1.973 1.00999.99 H new ATOM 0 HD3 ARG A 1 4.535 -3.898 -0.933 1.00999.99 H new ATOM 0 HE ARG A 1 4.843 -5.489 0.765 1.00999.99 H new ATOM 0 HH11 ARG A 1 6.304 -6.555 -2.268 1.00999.99 H new ATOM 0 HH12 ARG A 1 7.165 -7.902 -1.516 1.00999.99 H new ATOM 0 HH21 ARG A 1 5.946 -7.221 1.725 1.00999.99 H new ATOM 0 HH22 ARG A 1 6.963 -8.277 0.740 1.00999.99 H new ATOM 25 N SER A 2 0.356 -3.307 -3.737 1.00999.99 N ATOM 26 CA SER A 2 -0.416 -2.149 -4.162 1.00999.99 C ATOM 27 C SER A 2 0.241 -0.888 -3.607 1.00999.99 C ATOM 28 O SER A 2 0.026 -0.521 -2.453 1.00999.99 O ATOM 29 CB SER A 2 -1.860 -2.259 -3.672 1.00999.99 C ATOM 30 OG SER A 2 -2.472 -3.446 -4.153 1.00999.99 O ATOM 0 H SER A 2 0.210 -3.576 -2.764 1.00999.99 H new ATOM 0 HA SER A 2 -0.434 -2.103 -5.251 1.00999.99 H new ATOM 0 HB2 SER A 2 -1.879 -2.252 -2.582 1.00999.99 H new ATOM 0 HB3 SER A 2 -2.428 -1.391 -4.007 1.00999.99 H new ATOM 0 HG SER A 2 -3.394 -3.495 -3.825 1.00999.99 H new ATOM 36 N TRP A 3 1.049 -0.236 -4.433 1.00961.25 N ATOM 37 CA TRP A 3 1.766 0.964 -4.012 1.00589.86 C ATOM 38 C TRP A 3 1.060 2.239 -4.469 1.00493.74 C ATOM 39 O TRP A 3 1.539 3.347 -4.217 1.00682.58 O ATOM 40 CB TRP A 3 3.211 0.917 -4.536 1.00641.29 C ATOM 41 CG TRP A 3 3.335 1.073 -6.024 1.00474.01 C ATOM 42 CD1 TRP A 3 3.118 0.117 -6.977 1.00334.40 C ATOM 43 CD2 TRP A 3 3.758 2.248 -6.728 1.00754.74 C ATOM 44 NE1 TRP A 3 3.342 0.641 -8.229 1.00404.94 N ATOM 45 CE2 TRP A 3 3.739 1.943 -8.102 1.00651.42 C ATOM 46 CE3 TRP A 3 4.134 3.534 -6.331 1.00999.99 C ATOM 47 CZ2 TRP A 3 4.086 2.874 -9.076 1.00999.99 C ATOM 48 CZ3 TRP A 3 4.481 4.456 -7.300 1.00999.99 C ATOM 49 CH2 TRP A 3 4.453 4.123 -8.659 1.00999.99 C ATOM 0 H TRP A 3 1.225 -0.516 -5.398 1.00961.25 H new ATOM 0 HA TRP A 3 1.782 0.985 -2.922 1.00589.86 H new ATOM 0 HB2 TRP A 3 3.787 1.705 -4.051 1.00641.29 H new ATOM 0 HB3 TRP A 3 3.660 -0.032 -4.243 1.00641.29 H new ATOM 0 HD1 TRP A 3 2.815 -0.900 -6.776 1.00334.40 H new ATOM 0 HE1 TRP A 3 3.230 0.139 -9.110 1.00404.94 H new ATOM 0 HE3 TRP A 3 4.153 3.803 -5.285 1.00999.99 H new ATOM 0 HZ2 TRP A 3 4.066 2.619 -10.125 1.00999.99 H new ATOM 0 HZ3 TRP A 3 4.779 5.451 -7.003 1.00999.99 H new ATOM 0 HH2 TRP A 3 4.727 4.867 -9.392 1.00999.99 H new ATOM 60 N HIS A 4 -0.082 2.085 -5.128 1.00485.67 N ATOM 61 CA HIS A 4 -0.836 3.230 -5.616 1.00599.86 C ATOM 62 C HIS A 4 -2.331 2.915 -5.638 1.00506.44 C ATOM 63 O HIS A 4 -2.724 1.764 -5.824 1.00750.28 O ATOM 64 CB HIS A 4 -0.350 3.630 -7.015 1.00970.13 C ATOM 65 CG HIS A 4 -0.848 4.970 -7.468 1.00999.99 C ATOM 66 ND1 HIS A 4 -0.553 6.153 -6.831 1.00999.99 N ATOM 67 CD2 HIS A 4 -1.633 5.301 -8.522 1.00999.99 C ATOM 68 CE1 HIS A 4 -1.155 7.143 -7.501 1.00999.99 C ATOM 69 NE2 HIS A 4 -1.824 6.679 -8.537 1.00999.99 N ATOM 0 H HIS A 4 -0.504 1.180 -5.336 1.00485.67 H new ATOM 0 HA HIS A 4 -0.672 4.068 -4.939 1.00599.86 H new ATOM 0 HB2 HIS A 4 0.740 3.636 -7.023 1.00970.13 H new ATOM 0 HB3 HIS A 4 -0.670 2.873 -7.731 1.00970.13 H new ATOM 0 HD2 HIS A 4 -2.045 4.605 -9.237 1.00999.99 H new ATOM 0 HE1 HIS A 4 -1.100 8.186 -7.228 1.00999.99 H new ATOM 0 HE2 HIS A 4 -2.369 7.218 -9.210 1.00999.99 H new ATOM 77 N TYR A 5 -3.151 3.945 -5.429 1.00433.07 N ATOM 78 CA TYR A 5 -4.608 3.797 -5.415 1.00537.26 C ATOM 79 C TYR A 5 -5.141 3.396 -6.790 1.00417.42 C ATOM 80 O TYR A 5 -6.090 2.621 -6.897 1.00455.89 O ATOM 81 CB TYR A 5 -5.273 5.101 -4.966 1.00863.64 C ATOM 82 CG TYR A 5 -4.951 5.493 -3.540 1.00999.99 C ATOM 83 CD1 TYR A 5 -3.919 6.380 -3.256 1.00999.99 C ATOM 84 CD2 TYR A 5 -5.679 4.973 -2.477 1.00999.99 C ATOM 85 CE1 TYR A 5 -3.623 6.738 -1.956 1.00999.99 C ATOM 86 CE2 TYR A 5 -5.389 5.328 -1.172 1.00999.99 C ATOM 87 CZ TYR A 5 -4.360 6.210 -0.918 1.00999.99 C ATOM 88 OH TYR A 5 -4.070 6.564 0.379 1.00999.99 O ATOM 0 H TYR A 5 -2.828 4.899 -5.266 1.00433.07 H new ATOM 0 HA TYR A 5 -4.851 3.004 -4.708 1.00537.26 H new ATOM 0 HB2 TYR A 5 -4.961 5.905 -5.633 1.00863.64 H new ATOM 0 HB3 TYR A 5 -6.353 5.001 -5.070 1.00863.64 H new ATOM 0 HD1 TYR A 5 -3.339 6.796 -4.066 1.00999.99 H new ATOM 0 HD2 TYR A 5 -6.484 4.280 -2.673 1.00999.99 H new ATOM 0 HE1 TYR A 5 -2.818 7.429 -1.753 1.00999.99 H new ATOM 0 HE2 TYR A 5 -5.965 4.917 -0.357 1.00999.99 H new ATOM 0 HH TYR A 5 -4.684 6.104 0.989 1.00999.99 H new ATOM 98 N VAL A 6 -4.528 3.935 -7.836 1.00334.13 N ATOM 99 CA VAL A 6 -4.941 3.638 -9.201 1.00279.07 C ATOM 100 C VAL A 6 -4.005 2.598 -9.813 1.00238.43 C ATOM 101 O VAL A 6 -2.781 2.735 -9.751 1.00244.26 O ATOM 102 CB VAL A 6 -4.956 4.914 -10.076 1.00314.05 C ATOM 103 CG1 VAL A 6 -5.407 4.603 -11.498 1.00362.37 C ATOM 104 CG2 VAL A 6 -5.845 5.981 -9.454 1.00375.52 C ATOM 0 H VAL A 6 -3.742 4.581 -7.765 1.00334.13 H new ATOM 0 HA VAL A 6 -5.955 3.240 -9.168 1.00279.07 H new ATOM 0 HB VAL A 6 -3.937 5.298 -10.124 1.00314.05 H new ATOM 0 HG11 VAL A 6 -5.407 5.519 -12.088 1.00362.37 H new ATOM 0 HG12 VAL A 6 -4.724 3.882 -11.947 1.00362.37 H new ATOM 0 HG13 VAL A 6 -6.413 4.185 -11.477 1.00362.37 H new ATOM 0 HG21 VAL A 6 -5.842 6.870 -10.085 1.00375.52 H new ATOM 0 HG22 VAL A 6 -6.863 5.601 -9.367 1.00375.52 H new ATOM 0 HG23 VAL A 6 -5.468 6.237 -8.464 1.00375.52 H new ATOM 114 N GLU A 7 -4.585 1.556 -10.396 1.00247.88 N ATOM 115 CA GLU A 7 -3.801 0.482 -10.997 1.00261.23 C ATOM 116 C GLU A 7 -3.317 0.871 -12.393 1.00258.13 C ATOM 117 O GLU A 7 -4.127 1.149 -13.280 1.00295.56 O ATOM 118 CB GLU A 7 -4.637 -0.802 -11.068 1.00329.01 C ATOM 119 CG GLU A 7 -3.885 -1.998 -11.639 1.00524.54 C ATOM 120 CD GLU A 7 -4.724 -3.261 -11.667 1.00700.51 C ATOM 121 OE1 GLU A 7 -5.877 -3.221 -11.189 1.00710.30 O ATOM 122 OE2 GLU A 7 -4.226 -4.291 -12.165 1.00999.99 O1- ATOM 0 H GLU A 7 -5.595 1.431 -10.466 1.00247.88 H new ATOM 0 HA GLU A 7 -2.926 0.307 -10.371 1.00261.23 H new ATOM 0 HB2 GLU A 7 -4.989 -1.051 -10.067 1.00329.01 H new ATOM 0 HB3 GLU A 7 -5.520 -0.615 -11.679 1.00329.01 H new ATOM 0 HG2 GLU A 7 -3.555 -1.764 -12.651 1.00524.54 H new ATOM 0 HG3 GLU A 7 -2.989 -2.176 -11.044 1.00524.54 H new ATOM 129 N PRO A 8 -1.983 0.911 -12.593 1.00283.22 N ATOM 130 CA PRO A 8 -1.377 1.246 -13.893 1.00342.38 C ATOM 131 C PRO A 8 -1.806 0.272 -14.988 1.00407.81 C ATOM 132 O PRO A 8 -1.977 -0.923 -14.736 1.00426.47 O ATOM 133 CB PRO A 8 0.127 1.125 -13.629 1.00426.65 C ATOM 134 CG PRO A 8 0.267 1.295 -12.157 1.00436.63 C ATOM 135 CD PRO A 8 -0.955 0.658 -11.565 1.00337.38 C ATOM 0 HA PRO A 8 -1.679 2.232 -14.246 1.00342.38 H new ATOM 0 HB2 PRO A 8 0.510 0.157 -13.954 1.00426.65 H new ATOM 0 HB3 PRO A 8 0.687 1.887 -14.171 1.00426.65 H new ATOM 0 HG2 PRO A 8 1.176 0.817 -11.791 1.00436.63 H new ATOM 0 HG3 PRO A 8 0.330 2.349 -11.887 1.00436.63 H new ATOM 0 HD2 PRO A 8 -0.811 -0.408 -11.390 1.00337.38 H new ATOM 0 HD3 PRO A 8 -1.221 1.105 -10.607 1.00337.38 H new ATOM 143 N LYS A 9 -1.967 0.778 -16.204 1.00517.29 N ATOM 144 CA LYS A 9 -2.393 -0.060 -17.319 1.00659.90 C ATOM 145 C LYS A 9 -1.364 -0.067 -18.446 1.00611.96 C ATOM 146 O LYS A 9 -0.621 0.898 -18.628 1.00826.27 O ATOM 147 CB LYS A 9 -3.746 0.420 -17.857 1.00999.99 C ATOM 148 CG LYS A 9 -4.877 0.322 -16.843 1.00999.99 C ATOM 149 CD LYS A 9 -6.219 0.693 -17.458 1.00999.99 C ATOM 150 CE LYS A 9 -6.300 2.178 -17.776 1.00999.99 C ATOM 151 NZ LYS A 9 -7.637 2.560 -18.308 1.00999.99 N1+ ATOM 0 H LYS A 9 -1.811 1.757 -16.443 1.00517.29 H new ATOM 0 HA LYS A 9 -2.490 -1.079 -16.944 1.00659.90 H new ATOM 0 HB2 LYS A 9 -3.651 1.456 -18.183 1.00999.99 H new ATOM 0 HB3 LYS A 9 -4.007 -0.168 -18.737 1.00999.99 H new ATOM 0 HG2 LYS A 9 -4.926 -0.693 -16.449 1.00999.99 H new ATOM 0 HG3 LYS A 9 -4.668 0.981 -16.000 1.00999.99 H new ATOM 0 HD2 LYS A 9 -6.373 0.116 -18.370 1.00999.99 H new ATOM 0 HD3 LYS A 9 -7.021 0.424 -16.771 1.00999.99 H new ATOM 0 HE2 LYS A 9 -6.090 2.754 -16.875 1.00999.99 H new ATOM 0 HE3 LYS A 9 -5.532 2.435 -18.505 1.00999.99 H new ATOM 0 HZ1 LYS A 9 -7.651 3.580 -18.512 1.00999.99 H new ATOM 0 HZ2 LYS A 9 -7.827 2.029 -19.182 1.00999.99 H new ATOM 0 HZ3 LYS A 9 -8.368 2.338 -17.602 1.00999.99 H new ATOM 165 N PHE A 10 -1.336 -1.181 -19.188 1.00593.04 N ATOM 166 CA PHE A 10 -0.427 -1.370 -20.327 1.00718.66 C ATOM 167 C PHE A 10 1.045 -1.362 -19.912 1.00444.77 C ATOM 168 O PHE A 10 1.909 -0.960 -20.694 1.00430.55 O ATOM 169 CB PHE A 10 -0.669 -0.302 -21.402 1.00999.99 C ATOM 170 CG PHE A 10 -2.065 -0.307 -21.965 1.00999.99 C ATOM 171 CD1 PHE A 10 -2.991 0.645 -21.566 1.00999.99 C ATOM 172 CD2 PHE A 10 -2.448 -1.260 -22.894 1.00999.99 C ATOM 173 CE1 PHE A 10 -4.273 0.644 -22.082 1.00999.99 C ATOM 174 CE2 PHE A 10 -3.729 -1.267 -23.413 1.00999.99 C ATOM 175 CZ PHE A 10 -4.642 -0.313 -23.007 1.00999.99 C ATOM 0 H PHE A 10 -1.946 -1.980 -19.015 1.00593.04 H new ATOM 0 HA PHE A 10 -0.648 -2.355 -20.738 1.00718.66 H new ATOM 0 HB2 PHE A 10 -0.463 0.680 -20.977 1.00999.99 H new ATOM 0 HB3 PHE A 10 0.041 -0.452 -22.216 1.00999.99 H new ATOM 0 HD1 PHE A 10 -2.707 1.396 -20.844 1.00999.99 H new ATOM 0 HD2 PHE A 10 -1.737 -2.006 -23.217 1.00999.99 H new ATOM 0 HE1 PHE A 10 -4.985 1.390 -21.762 1.00999.99 H new ATOM 0 HE2 PHE A 10 -4.016 -2.017 -24.135 1.00999.99 H new ATOM 0 HZ PHE A 10 -5.643 -0.316 -23.412 1.00999.99 H new ATOM 185 N LEU A 11 1.325 -1.786 -18.679 1.00349.73 N ATOM 186 CA LEU A 11 2.699 -1.847 -18.179 1.00235.63 C ATOM 187 C LEU A 11 3.568 -2.740 -19.066 1.00206.14 C ATOM 188 O LEU A 11 3.211 -3.886 -19.345 1.00278.24 O ATOM 189 CB LEU A 11 2.724 -2.365 -16.740 1.00330.72 C ATOM 190 CG LEU A 11 2.159 -1.407 -15.689 1.00430.08 C ATOM 191 CD1 LEU A 11 2.015 -2.111 -14.349 1.00480.09 C ATOM 192 CD2 LEU A 11 3.049 -0.179 -15.554 1.00781.60 C ATOM 0 H LEU A 11 0.620 -2.092 -18.009 1.00349.73 H new ATOM 0 HA LEU A 11 3.106 -0.836 -18.201 1.00235.63 H new ATOM 0 HB2 LEU A 11 2.161 -3.297 -16.697 1.00330.72 H new ATOM 0 HB3 LEU A 11 3.754 -2.602 -16.475 1.00330.72 H new ATOM 0 HG LEU A 11 1.171 -1.082 -16.015 1.00430.08 H new ATOM 0 HD11 LEU A 11 1.612 -1.415 -13.614 1.00480.09 H new ATOM 0 HD12 LEU A 11 1.339 -2.959 -14.454 1.00480.09 H new ATOM 0 HD13 LEU A 11 2.991 -2.464 -14.017 1.00480.09 H new ATOM 0 HD21 LEU A 11 2.632 0.492 -14.802 1.00781.60 H new ATOM 0 HD22 LEU A 11 4.050 -0.487 -15.251 1.00781.60 H new ATOM 0 HD23 LEU A 11 3.103 0.338 -16.512 1.00781.60 H new ATOM 204 N ASN A 12 4.708 -2.216 -19.502 1.00156.36 N ATOM 205 CA ASN A 12 5.617 -2.978 -20.353 1.00143.87 C ATOM 206 C ASN A 12 6.929 -3.254 -19.619 1.00134.56 C ATOM 207 O ASN A 12 7.678 -2.326 -19.302 1.00124.23 O ATOM 208 CB ASN A 12 5.877 -2.225 -21.662 1.00149.74 C ATOM 209 CG ASN A 12 6.600 -3.071 -22.700 1.00157.35 C ATOM 210 OD1 ASN A 12 7.198 -4.099 -22.384 1.00185.89 O ATOM 211 ND2 ASN A 12 6.546 -2.641 -23.953 1.00216.75 N ATOM 0 H ASN A 12 5.025 -1.272 -19.282 1.00156.36 H new ATOM 0 HA ASN A 12 5.152 -3.934 -20.593 1.00143.87 H new ATOM 0 HB2 ASN A 12 4.927 -1.886 -22.075 1.00149.74 H new ATOM 0 HB3 ASN A 12 6.469 -1.334 -21.451 1.00149.74 H new ATOM 0 HD21 ASN A 12 7.010 -3.167 -24.693 1.00216.75 H new ATOM 0 HD22 ASN A 12 6.040 -1.784 -24.177 1.00216.75 H new ATOM 218 N LYS A 13 7.195 -4.530 -19.348 1.00148.99 N ATOM 219 CA LYS A 13 8.413 -4.941 -18.650 1.00152.70 C ATOM 220 C LYS A 13 9.669 -4.588 -19.451 1.00126.31 C ATOM 221 O LYS A 13 10.679 -4.177 -18.881 1.00117.25 O ATOM 222 CB LYS A 13 8.385 -6.447 -18.373 1.00189.09 C ATOM 223 CG LYS A 13 7.360 -6.857 -17.326 1.00262.69 C ATOM 224 CD LYS A 13 7.376 -8.359 -17.088 1.00423.01 C ATOM 225 CE LYS A 13 6.395 -8.762 -15.998 1.00603.99 C ATOM 226 NZ LYS A 13 4.989 -8.444 -16.370 1.00902.90 N1+ ATOM 0 H LYS A 13 6.579 -5.302 -19.603 1.00148.99 H new ATOM 0 HA LYS A 13 8.448 -4.397 -17.706 1.00152.70 H new ATOM 0 HB2 LYS A 13 8.173 -6.975 -19.303 1.00189.09 H new ATOM 0 HB3 LYS A 13 9.374 -6.766 -18.045 1.00189.09 H new ATOM 0 HG2 LYS A 13 7.566 -6.337 -16.390 1.00262.69 H new ATOM 0 HG3 LYS A 13 6.365 -6.549 -17.649 1.00262.69 H new ATOM 0 HD2 LYS A 13 7.126 -8.878 -18.014 1.00423.01 H new ATOM 0 HD3 LYS A 13 8.381 -8.673 -16.808 1.00423.01 H new ATOM 0 HE2 LYS A 13 6.486 -9.831 -15.805 1.00603.99 H new ATOM 0 HE3 LYS A 13 6.650 -8.248 -15.072 1.00603.99 H new ATOM 0 HZ1 LYS A 13 4.342 -8.868 -15.675 1.00902.90 H new ATOM 0 HZ2 LYS A 13 4.858 -7.412 -16.381 1.00902.90 H new ATOM 0 HZ3 LYS A 13 4.784 -8.829 -17.314 1.00902.90 H new ATOM 240 N ALA A 14 9.599 -4.762 -20.770 1.00121.35 N ATOM 241 CA ALA A 14 10.728 -4.463 -21.651 1.00105.33 C ATOM 242 C ALA A 14 11.140 -2.996 -21.560 1.00 85.51 C ATOM 243 O ALA A 14 12.331 -2.673 -21.564 1.00 77.98 O ATOM 244 CB ALA A 14 10.395 -4.833 -23.089 1.00112.67 C ATOM 0 H ALA A 14 8.771 -5.109 -21.253 1.00121.35 H new ATOM 0 HA ALA A 14 11.573 -5.065 -21.319 1.00105.33 H new ATOM 0 HB1 ALA A 14 11.246 -4.604 -23.730 1.00112.67 H new ATOM 0 HB2 ALA A 14 10.173 -5.898 -23.148 1.00112.67 H new ATOM 0 HB3 ALA A 14 9.527 -4.262 -23.420 1.00112.67 H new ATOM 250 N PHE A 15 10.149 -2.116 -21.476 1.00 84.90 N ATOM 251 CA PHE A 15 10.401 -0.681 -21.377 1.00 75.82 C ATOM 252 C PHE A 15 11.038 -0.345 -20.034 1.00 70.57 C ATOM 253 O PHE A 15 11.827 0.596 -19.927 1.00 63.80 O ATOM 254 CB PHE A 15 9.103 0.112 -21.549 1.00 90.27 C ATOM 255 CG PHE A 15 8.625 0.220 -22.974 1.00101.24 C ATOM 256 CD1 PHE A 15 7.449 0.893 -23.268 1.00246.12 C ATOM 257 CD2 PHE A 15 9.344 -0.347 -24.019 1.00164.08 C ATOM 258 CE1 PHE A 15 7.000 0.998 -24.572 1.00265.05 C ATOM 259 CE2 PHE A 15 8.898 -0.246 -25.323 1.00181.35 C ATOM 260 CZ PHE A 15 7.725 0.428 -25.599 1.00136.81 C ATOM 0 H PHE A 15 9.161 -2.371 -21.474 1.00 84.90 H new ATOM 0 HA PHE A 15 11.088 -0.403 -22.176 1.00 75.82 H new ATOM 0 HB2 PHE A 15 8.322 -0.358 -20.951 1.00 90.27 H new ATOM 0 HB3 PHE A 15 9.249 1.116 -21.150 1.00 90.27 H new ATOM 0 HD1 PHE A 15 6.877 1.341 -22.469 1.00246.12 H new ATOM 0 HD2 PHE A 15 10.263 -0.874 -23.809 1.00164.08 H new ATOM 0 HE1 PHE A 15 6.082 1.526 -24.787 1.00265.05 H new ATOM 0 HE2 PHE A 15 9.466 -0.694 -26.125 1.00181.35 H new ATOM 0 HZ PHE A 15 7.375 0.509 -26.618 1.00136.81 H new ATOM 270 N GLU A 16 10.686 -1.122 -19.013 1.00 80.12 N ATOM 271 CA GLU A 16 11.220 -0.918 -17.670 1.00 82.30 C ATOM 272 C GLU A 16 12.728 -1.144 -17.650 1.00 72.09 C ATOM 273 O GLU A 16 13.461 -0.424 -16.973 1.00 70.72 O ATOM 274 CB GLU A 16 10.529 -1.850 -16.671 1.00100.14 C ATOM 275 CG GLU A 16 9.077 -1.485 -16.399 1.00165.35 C ATOM 276 CD GLU A 16 8.352 -2.530 -15.574 1.00317.63 C ATOM 277 OE1 GLU A 16 8.870 -3.661 -15.456 1.00440.18 O ATOM 278 OE2 GLU A 16 7.263 -2.218 -15.046 1.00524.44 O1- ATOM 0 H GLU A 16 10.032 -1.900 -19.091 1.00 80.12 H new ATOM 0 HA GLU A 16 11.023 0.113 -17.377 1.00 82.30 H new ATOM 0 HB2 GLU A 16 10.573 -2.871 -17.050 1.00100.14 H new ATOM 0 HB3 GLU A 16 11.081 -1.834 -15.731 1.00100.14 H new ATOM 0 HG2 GLU A 16 9.039 -0.528 -15.879 1.00165.35 H new ATOM 0 HG3 GLU A 16 8.557 -1.353 -17.348 1.00165.35 H new ATOM 285 N VAL A 17 13.183 -2.161 -18.381 1.00 72.90 N ATOM 286 CA VAL A 17 14.608 -2.477 -18.465 1.00 72.63 C ATOM 287 C VAL A 17 15.386 -1.319 -19.085 1.00 63.96 C ATOM 288 O VAL A 17 16.426 -0.904 -18.569 1.00 69.07 O ATOM 289 CB VAL A 17 14.846 -3.756 -19.302 1.00 90.30 C ATOM 290 CG1 VAL A 17 16.328 -3.943 -19.604 1.00148.72 C ATOM 291 CG2 VAL A 17 14.285 -4.972 -18.582 1.00214.56 C ATOM 0 H VAL A 17 12.583 -2.782 -18.925 1.00 72.90 H new ATOM 0 HA VAL A 17 14.964 -2.646 -17.449 1.00 72.63 H new ATOM 0 HB VAL A 17 14.323 -3.645 -20.252 1.00 90.30 H new ATOM 0 HG11 VAL A 17 16.468 -4.849 -20.193 1.00148.72 H new ATOM 0 HG12 VAL A 17 16.696 -3.084 -20.166 1.00148.72 H new ATOM 0 HG13 VAL A 17 16.882 -4.029 -18.669 1.00148.72 H new ATOM 0 HG21 VAL A 17 14.460 -5.864 -19.184 1.00214.56 H new ATOM 0 HG22 VAL A 17 14.778 -5.083 -17.616 1.00214.56 H new ATOM 0 HG23 VAL A 17 13.214 -4.842 -18.429 1.00214.56 H new ATOM 301 N ALA A 18 14.859 -0.798 -20.191 1.00 57.17 N ATOM 302 CA ALA A 18 15.482 0.314 -20.891 1.00 56.13 C ATOM 303 C ALA A 18 15.528 1.552 -19.999 1.00 56.68 C ATOM 304 O ALA A 18 16.502 2.304 -20.004 1.00 61.91 O ATOM 305 CB ALA A 18 14.732 0.593 -22.181 1.00 55.42 C ATOM 0 H ALA A 18 13.997 -1.133 -20.621 1.00 57.17 H new ATOM 0 HA ALA A 18 16.510 0.049 -21.140 1.00 56.13 H new ATOM 0 HB1 ALA A 18 15.202 1.427 -22.702 1.00 55.42 H new ATOM 0 HB2 ALA A 18 14.758 -0.293 -22.816 1.00 55.42 H new ATOM 0 HB3 ALA A 18 13.697 0.845 -21.953 1.00 55.42 H new ATOM 311 N LEU A 19 14.453 1.760 -19.252 1.00 56.75 N ATOM 312 CA LEU A 19 14.354 2.882 -18.329 1.00 63.59 C ATOM 313 C LEU A 19 15.387 2.787 -17.202 1.00 62.95 C ATOM 314 O LEU A 19 16.054 3.771 -16.878 1.00 66.21 O ATOM 315 CB LEU A 19 12.943 2.936 -17.736 1.00 74.19 C ATOM 316 CG LEU A 19 12.709 4.030 -16.693 1.00167.83 C ATOM 317 CD1 LEU A 19 12.935 5.408 -17.295 1.00321.59 C ATOM 318 CD2 LEU A 19 11.309 3.914 -16.118 1.00287.80 C ATOM 0 H LEU A 19 13.629 1.159 -19.268 1.00 56.75 H new ATOM 0 HA LEU A 19 14.559 3.795 -18.889 1.00 63.59 H new ATOM 0 HB2 LEU A 19 12.231 3.075 -18.549 1.00 74.19 H new ATOM 0 HB3 LEU A 19 12.722 1.971 -17.281 1.00 74.19 H new ATOM 0 HG LEU A 19 13.427 3.897 -15.884 1.00167.83 H new ATOM 0 HD11 LEU A 19 12.763 6.170 -16.535 1.00321.59 H new ATOM 0 HD12 LEU A 19 13.960 5.483 -17.658 1.00321.59 H new ATOM 0 HD13 LEU A 19 12.244 5.560 -18.124 1.00321.59 H new ATOM 0 HD21 LEU A 19 11.154 4.698 -15.377 1.00287.80 H new ATOM 0 HD22 LEU A 19 10.577 4.022 -16.918 1.00287.80 H new ATOM 0 HD23 LEU A 19 11.189 2.939 -15.645 1.00287.80 H new ATOM 330 N LYS A 20 15.522 1.593 -16.619 1.00 63.25 N ATOM 331 CA LYS A 20 16.450 1.381 -15.506 1.00 68.73 C ATOM 332 C LYS A 20 17.906 1.641 -15.878 1.00 68.61 C ATOM 333 O LYS A 20 18.640 2.238 -15.091 1.00 73.83 O ATOM 334 CB LYS A 20 16.318 -0.034 -14.941 1.00 77.71 C ATOM 335 CG LYS A 20 15.034 -0.268 -14.161 1.00143.96 C ATOM 336 CD LYS A 20 15.066 -1.593 -13.411 1.00144.66 C ATOM 337 CE LYS A 20 15.026 -2.784 -14.355 1.00275.98 C ATOM 338 NZ LYS A 20 13.745 -2.852 -15.108 1.00491.97 N1+ ATOM 0 H LYS A 20 15.002 0.761 -16.898 1.00 63.25 H new ATOM 0 HA LYS A 20 16.169 2.111 -14.747 1.00 68.73 H new ATOM 0 HB2 LYS A 20 16.368 -0.749 -15.762 1.00 77.71 H new ATOM 0 HB3 LYS A 20 17.169 -0.236 -14.290 1.00 77.71 H new ATOM 0 HG2 LYS A 20 14.884 0.547 -13.453 1.00143.96 H new ATOM 0 HG3 LYS A 20 14.185 -0.257 -14.845 1.00143.96 H new ATOM 0 HD2 LYS A 20 15.969 -1.643 -12.802 1.00144.66 H new ATOM 0 HD3 LYS A 20 14.218 -1.643 -12.728 1.00144.66 H new ATOM 0 HE2 LYS A 20 15.857 -2.719 -15.057 1.00275.98 H new ATOM 0 HE3 LYS A 20 15.162 -3.703 -13.785 1.00275.98 H new ATOM 0 HZ1 LYS A 20 13.715 -3.731 -15.663 1.00491.97 H new ATOM 0 HZ2 LYS A 20 12.948 -2.837 -14.440 1.00491.97 H new ATOM 0 HZ3 LYS A 20 13.675 -2.035 -15.748 1.00491.97 H new ATOM 352 N VAL A 21 18.332 1.217 -17.068 1.00 68.25 N ATOM 353 CA VAL A 21 19.724 1.421 -17.467 1.00 77.13 C ATOM 354 C VAL A 21 20.042 2.906 -17.652 1.00 72.55 C ATOM 355 O VAL A 21 21.160 3.342 -17.372 1.00 79.19 O ATOM 356 CB VAL A 21 20.101 0.624 -18.741 1.00 87.85 C ATOM 357 CG1 VAL A 21 19.936 -0.870 -18.501 1.00179.68 C ATOM 358 CG2 VAL A 21 19.283 1.065 -19.945 1.00139.80 C ATOM 0 H VAL A 21 17.750 0.742 -17.757 1.00 68.25 H new ATOM 0 HA VAL A 21 20.334 1.035 -16.650 1.00 77.13 H new ATOM 0 HB VAL A 21 21.148 0.832 -18.963 1.00 87.85 H new ATOM 0 HG11 VAL A 21 20.205 -1.416 -19.405 1.00179.68 H new ATOM 0 HG12 VAL A 21 20.586 -1.181 -17.683 1.00179.68 H new ATOM 0 HG13 VAL A 21 18.899 -1.085 -18.242 1.00179.68 H new ATOM 0 HG21 VAL A 21 19.577 0.482 -20.818 1.00139.80 H new ATOM 0 HG22 VAL A 21 18.224 0.906 -19.743 1.00139.80 H new ATOM 0 HG23 VAL A 21 19.461 2.123 -20.138 1.00139.80 H new ATOM 368 N GLN A 22 19.061 3.682 -18.118 1.00 66.64 N ATOM 369 CA GLN A 22 19.253 5.119 -18.299 1.00 67.43 C ATOM 370 C GLN A 22 19.378 5.802 -16.939 1.00 67.09 C ATOM 371 O GLN A 22 20.201 6.700 -16.752 1.00 72.47 O ATOM 372 CB GLN A 22 18.089 5.726 -19.087 1.00 68.33 C ATOM 373 CG GLN A 22 18.017 5.257 -20.536 1.00156.47 C ATOM 374 CD GLN A 22 19.254 5.619 -21.334 1.00187.92 C ATOM 375 OE1 GLN A 22 19.704 6.763 -21.319 1.00223.68 O ATOM 376 NE2 GLN A 22 19.810 4.643 -22.041 1.00483.12 N ATOM 0 H GLN A 22 18.134 3.342 -18.374 1.00 66.64 H new ATOM 0 HA GLN A 22 20.171 5.277 -18.865 1.00 67.43 H new ATOM 0 HB2 GLN A 22 17.154 5.475 -18.587 1.00 68.33 H new ATOM 0 HB3 GLN A 22 18.178 6.812 -19.070 1.00 68.33 H new ATOM 0 HG2 GLN A 22 17.881 4.176 -20.557 1.00156.47 H new ATOM 0 HG3 GLN A 22 17.141 5.698 -21.012 1.00156.47 H new ATOM 0 HE21 GLN A 22 19.404 3.707 -22.026 1.00483.12 H new ATOM 0 HE22 GLN A 22 20.643 4.829 -22.600 1.00483.12 H new ATOM 385 N ILE A 23 18.547 5.357 -15.996 1.00 65.18 N ATOM 386 CA ILE A 23 18.551 5.891 -14.638 1.00 70.35 C ATOM 387 C ILE A 23 19.875 5.570 -13.935 1.00 65.97 C ATOM 388 O ILE A 23 20.462 6.424 -13.268 1.00 64.17 O ATOM 389 CB ILE A 23 17.367 5.333 -13.812 1.00 77.55 C ATOM 390 CG1 ILE A 23 16.039 5.858 -14.363 1.00 84.70 C ATOM 391 CG2 ILE A 23 17.501 5.699 -12.339 1.00120.91 C ATOM 392 CD1 ILE A 23 14.824 5.186 -13.756 1.00 96.48 C ATOM 0 H ILE A 23 17.858 4.622 -16.152 1.00 65.18 H new ATOM 0 HA ILE A 23 18.440 6.973 -14.709 1.00 70.35 H new ATOM 0 HB ILE A 23 17.384 4.246 -13.896 1.00 77.55 H new ATOM 0 HG12 ILE A 23 15.979 6.931 -14.182 1.00 84.70 H new ATOM 0 HG13 ILE A 23 16.021 5.715 -15.443 1.00 84.70 H new ATOM 0 HG21 ILE A 23 16.655 5.293 -11.785 1.00120.91 H new ATOM 0 HG22 ILE A 23 18.427 5.282 -11.943 1.00120.91 H new ATOM 0 HG23 ILE A 23 17.517 6.784 -12.234 1.00120.91 H new ATOM 0 HD11 ILE A 23 13.919 5.608 -14.193 1.00 96.48 H new ATOM 0 HD12 ILE A 23 14.861 4.116 -13.959 1.00 96.48 H new ATOM 0 HD13 ILE A 23 14.817 5.351 -12.679 1.00 96.48 H new ATOM 404 N ILE A 24 20.340 4.331 -14.108 1.00 66.14 N ATOM 405 CA ILE A 24 21.587 3.878 -13.497 1.00 64.17 C ATOM 406 C ILE A 24 22.777 4.708 -13.983 1.00 62.01 C ATOM 407 O ILE A 24 23.631 5.093 -13.184 1.00 60.43 O ATOM 408 CB ILE A 24 21.847 2.375 -13.781 1.00 70.10 C ATOM 409 CG1 ILE A 24 20.827 1.513 -13.034 1.00179.04 C ATOM 410 CG2 ILE A 24 23.266 1.978 -13.379 1.00158.26 C ATOM 411 CD1 ILE A 24 20.829 0.059 -13.457 1.00324.41 C ATOM 0 H ILE A 24 19.868 3.622 -14.669 1.00 66.14 H new ATOM 0 HA ILE A 24 21.480 4.014 -12.421 1.00 64.17 H new ATOM 0 HB ILE A 24 21.738 2.208 -14.853 1.00 70.10 H new ATOM 0 HG12 ILE A 24 21.030 1.571 -11.965 1.00179.04 H new ATOM 0 HG13 ILE A 24 19.831 1.926 -13.192 1.00179.04 H new ATOM 0 HG21 ILE A 24 23.421 0.920 -13.589 1.00158.26 H new ATOM 0 HG22 ILE A 24 23.984 2.570 -13.947 1.00158.26 H new ATOM 0 HG23 ILE A 24 23.407 2.161 -12.314 1.00158.26 H new ATOM 0 HD11 ILE A 24 20.080 -0.488 -12.884 1.00324.41 H new ATOM 0 HD12 ILE A 24 20.595 -0.011 -14.519 1.00324.41 H new ATOM 0 HD13 ILE A 24 21.813 -0.372 -13.273 1.00324.41 H new ATOM 423 N ALA A 25 22.830 4.986 -15.286 1.00 65.20 N ATOM 424 CA ALA A 25 23.927 5.768 -15.856 1.00 67.36 C ATOM 425 C ALA A 25 23.993 7.172 -15.250 1.00 61.38 C ATOM 426 O ALA A 25 25.077 7.661 -14.926 1.00 61.83 O ATOM 427 CB ALA A 25 23.784 5.852 -17.369 1.00 76.38 C ATOM 0 H ALA A 25 22.130 4.683 -15.963 1.00 65.20 H new ATOM 0 HA ALA A 25 24.859 5.258 -15.613 1.00 67.36 H new ATOM 0 HB1 ALA A 25 24.607 6.437 -17.780 1.00 76.38 H new ATOM 0 HB2 ALA A 25 23.805 4.848 -17.793 1.00 76.38 H new ATOM 0 HB3 ALA A 25 22.838 6.332 -17.619 1.00 76.38 H new ATOM 433 N GLY A 26 22.835 7.816 -15.097 1.00 59.56 N ATOM 434 CA GLY A 26 22.793 9.151 -14.515 1.00 59.27 C ATOM 435 C GLY A 26 23.253 9.175 -13.066 1.00 53.55 C ATOM 436 O GLY A 26 23.998 10.064 -12.654 1.00 56.28 O ATOM 0 H GLY A 26 21.926 7.438 -15.365 1.00 59.56 H new ATOM 0 HA2 GLY A 26 23.423 9.819 -15.103 1.00 59.27 H new ATOM 0 HA3 GLY A 26 21.775 9.537 -14.575 1.00 59.27 H new ATOM 440 N PHE A 27 22.811 8.180 -12.301 1.00 49.22 N ATOM 441 CA PHE A 27 23.172 8.065 -10.887 1.00 46.57 C ATOM 442 C PHE A 27 24.611 7.585 -10.714 1.00 45.25 C ATOM 443 O PHE A 27 25.207 7.749 -9.648 1.00 45.52 O ATOM 444 CB PHE A 27 22.204 7.147 -10.137 1.00 47.23 C ATOM 445 CG PHE A 27 20.913 7.824 -9.772 1.00 52.02 C ATOM 446 CD1 PHE A 27 19.706 7.372 -10.276 1.00 90.91 C ATOM 447 CD2 PHE A 27 20.909 8.923 -8.926 1.00148.84 C ATOM 448 CE1 PHE A 27 18.521 8.001 -9.944 1.00 91.85 C ATOM 449 CE2 PHE A 27 19.728 9.555 -8.591 1.00169.43 C ATOM 450 CZ PHE A 27 18.532 9.093 -9.100 1.00 73.18 C ATOM 0 H PHE A 27 22.199 7.437 -12.637 1.00 49.22 H new ATOM 0 HA PHE A 27 23.096 9.063 -10.454 1.00 46.57 H new ATOM 0 HB2 PHE A 27 21.988 6.275 -10.754 1.00 47.23 H new ATOM 0 HB3 PHE A 27 22.686 6.784 -9.229 1.00 47.23 H new ATOM 0 HD1 PHE A 27 19.690 6.518 -10.937 1.00 90.91 H new ATOM 0 HD2 PHE A 27 21.842 9.289 -8.524 1.00148.84 H new ATOM 0 HE1 PHE A 27 17.586 7.638 -10.345 1.00 91.85 H new ATOM 0 HE2 PHE A 27 19.741 10.410 -7.931 1.00169.43 H new ATOM 0 HZ PHE A 27 17.607 9.585 -8.839 1.00 73.18 H new ATOM 460 N ASP A 28 25.169 7.000 -11.770 1.00 48.20 N ATOM 461 CA ASP A 28 26.528 6.472 -11.728 1.00 52.32 C ATOM 462 C ASP A 28 27.551 7.598 -11.797 1.00 58.31 C ATOM 463 O ASP A 28 28.636 7.485 -11.228 1.00 58.86 O ATOM 464 CB ASP A 28 26.759 5.494 -12.881 1.00 60.63 C ATOM 465 CG ASP A 28 27.985 4.627 -12.674 1.00 90.22 C ATOM 466 OD1 ASP A 28 28.293 4.301 -11.509 1.00143.57 O ATOM 467 OD2 ASP A 28 28.637 4.271 -13.679 1.00145.09 O1- ATOM 0 H ASP A 28 24.699 6.880 -12.667 1.00 48.20 H new ATOM 0 HA ASP A 28 26.652 5.944 -10.782 1.00 52.32 H new ATOM 0 HB2 ASP A 28 25.882 4.856 -12.992 1.00 60.63 H new ATOM 0 HB3 ASP A 28 26.867 6.053 -13.811 1.00 60.63 H new ATOM 472 N ARG A 29 27.211 8.682 -12.499 1.00 69.25 N ATOM 473 CA ARG A 29 28.108 9.831 -12.599 1.00 83.67 C ATOM 474 C ARG A 29 28.366 10.399 -11.203 1.00 77.32 C ATOM 475 O ARG A 29 29.503 10.691 -10.836 1.00 85.27 O ATOM 476 CB ARG A 29 27.504 10.906 -13.507 1.00105.83 C ATOM 477 CG ARG A 29 28.393 12.128 -13.691 1.00176.78 C ATOM 478 CD ARG A 29 27.813 13.096 -14.711 1.00290.98 C ATOM 479 NE ARG A 29 27.822 12.539 -16.062 1.00325.38 N ATOM 480 CZ ARG A 29 27.313 13.164 -17.120 1.00514.29 C ATOM 481 NH1 ARG A 29 26.757 14.361 -16.983 1.00733.68 N1+ ATOM 482 NH2 ARG A 29 27.362 12.590 -18.315 1.00779.77 N ATOM 0 H ARG A 29 26.329 8.786 -13.001 1.00 69.25 H new ATOM 0 HA ARG A 29 29.053 9.508 -13.036 1.00 83.67 H new ATOM 0 HB2 ARG A 29 27.297 10.469 -14.484 1.00105.83 H new ATOM 0 HB3 ARG A 29 26.548 11.224 -13.091 1.00105.83 H new ATOM 0 HG2 ARG A 29 28.515 12.637 -12.735 1.00176.78 H new ATOM 0 HG3 ARG A 29 29.385 11.811 -14.013 1.00176.78 H new ATOM 0 HD2 ARG A 29 26.791 13.349 -14.430 1.00290.98 H new ATOM 0 HD3 ARG A 29 28.386 14.023 -14.697 1.00290.98 H new ATOM 0 HE ARG A 29 28.242 11.620 -16.201 1.00325.38 H new ATOM 0 HH11 ARG A 29 26.719 14.804 -16.065 1.00733.68 H new ATOM 0 HH12 ARG A 29 26.367 14.838 -17.796 1.00733.68 H new ATOM 0 HH21 ARG A 29 27.790 11.670 -18.422 1.00779.77 H new ATOM 0 HH22 ARG A 29 26.972 13.068 -19.127 1.00779.77 H new ATOM 496 N GLY A 30 27.290 10.552 -10.437 1.00 70.34 N ATOM 497 CA GLY A 30 27.397 11.048 -9.074 1.00 72.33 C ATOM 498 C GLY A 30 28.139 10.073 -8.177 1.00 62.03 C ATOM 499 O GLY A 30 28.913 10.476 -7.306 1.00 70.42 O ATOM 0 H GLY A 30 26.339 10.340 -10.738 1.00 70.34 H new ATOM 0 HA2 GLY A 30 27.915 12.007 -9.076 1.00 72.33 H new ATOM 0 HA3 GLY A 30 26.399 11.225 -8.672 1.00 72.33 H new ATOM 503 N LEU A 31 27.888 8.784 -8.402 1.00 51.43 N ATOM 504 CA LEU A 31 28.504 7.712 -7.620 1.00 49.34 C ATOM 505 C LEU A 31 30.029 7.725 -7.747 1.00 53.91 C ATOM 506 O LEU A 31 30.739 7.666 -6.742 1.00 57.97 O ATOM 507 CB LEU A 31 27.946 6.356 -8.072 1.00 49.86 C ATOM 508 CG LEU A 31 28.545 5.124 -7.380 1.00 84.61 C ATOM 509 CD1 LEU A 31 27.445 4.191 -6.892 1.00213.67 C ATOM 510 CD2 LEU A 31 29.478 4.386 -8.328 1.00175.88 C ATOM 0 H LEU A 31 27.254 8.454 -9.129 1.00 51.43 H new ATOM 0 HA LEU A 31 28.260 7.876 -6.570 1.00 49.34 H new ATOM 0 HB2 LEU A 31 26.869 6.354 -7.907 1.00 49.86 H new ATOM 0 HB3 LEU A 31 28.104 6.259 -9.146 1.00 49.86 H new ATOM 0 HG LEU A 31 29.117 5.462 -6.516 1.00 84.61 H new ATOM 0 HD11 LEU A 31 27.892 3.325 -6.405 1.00213.67 H new ATOM 0 HD12 LEU A 31 26.809 4.719 -6.181 1.00213.67 H new ATOM 0 HD13 LEU A 31 26.845 3.861 -7.740 1.00213.67 H new ATOM 0 HD21 LEU A 31 29.895 3.515 -7.823 1.00175.88 H new ATOM 0 HD22 LEU A 31 28.922 4.064 -9.208 1.00175.88 H new ATOM 0 HD23 LEU A 31 30.287 5.050 -8.633 1.00175.88 H new ATOM 522 N VAL A 32 30.532 7.815 -8.980 1.00 60.45 N ATOM 523 CA VAL A 32 31.977 7.829 -9.203 1.00 75.53 C ATOM 524 C VAL A 32 32.590 9.162 -8.774 1.00 82.56 C ATOM 525 O VAL A 32 33.752 9.215 -8.368 1.00 89.50 O ATOM 526 CB VAL A 32 32.348 7.526 -10.674 1.00 97.76 C ATOM 527 CG1 VAL A 32 31.914 6.117 -11.054 1.00275.82 C ATOM 528 CG2 VAL A 32 31.738 8.545 -11.627 1.00173.47 C ATOM 0 H VAL A 32 29.968 7.878 -9.828 1.00 60.45 H new ATOM 0 HA VAL A 32 32.392 7.033 -8.585 1.00 75.53 H new ATOM 0 HB VAL A 32 33.432 7.597 -10.762 1.00 97.76 H new ATOM 0 HG11 VAL A 32 32.183 5.921 -12.092 1.00275.82 H new ATOM 0 HG12 VAL A 32 32.413 5.396 -10.407 1.00275.82 H new ATOM 0 HG13 VAL A 32 30.834 6.024 -10.935 1.00275.82 H new ATOM 0 HG21 VAL A 32 32.020 8.300 -12.651 1.00173.47 H new ATOM 0 HG22 VAL A 32 30.652 8.525 -11.535 1.00173.47 H new ATOM 0 HG23 VAL A 32 32.105 9.541 -11.378 1.00173.47 H new ATOM 538 N LYS A 33 31.801 10.233 -8.865 1.00 88.78 N ATOM 539 CA LYS A 33 32.258 11.563 -8.467 1.00105.88 C ATOM 540 C LYS A 33 32.596 11.587 -6.976 1.00 97.11 C ATOM 541 O LYS A 33 33.607 12.152 -6.566 1.00110.76 O ATOM 542 CB LYS A 33 31.183 12.609 -8.783 1.00123.44 C ATOM 543 CG LYS A 33 31.589 14.036 -8.444 1.00171.90 C ATOM 544 CD LYS A 33 30.496 15.028 -8.811 1.00268.72 C ATOM 545 CE LYS A 33 30.913 16.457 -8.498 1.00399.61 C ATOM 546 NZ LYS A 33 31.143 16.665 -7.042 1.00545.00 N1+ ATOM 0 H LYS A 33 30.842 10.204 -9.211 1.00 88.78 H new ATOM 0 HA LYS A 33 33.159 11.804 -9.031 1.00105.88 H new ATOM 0 HB2 LYS A 33 30.938 12.554 -9.844 1.00123.44 H new ATOM 0 HB3 LYS A 33 30.276 12.360 -8.233 1.00123.44 H new ATOM 0 HG2 LYS A 33 31.807 14.110 -7.379 1.00171.90 H new ATOM 0 HG3 LYS A 33 32.506 14.290 -8.975 1.00171.90 H new ATOM 0 HD2 LYS A 33 30.264 14.940 -9.872 1.00268.72 H new ATOM 0 HD3 LYS A 33 29.585 14.786 -8.264 1.00268.72 H new ATOM 0 HE2 LYS A 33 31.824 16.697 -9.047 1.00399.61 H new ATOM 0 HE3 LYS A 33 30.141 17.144 -8.845 1.00399.61 H new ATOM 0 HZ1 LYS A 33 31.241 17.682 -6.848 1.00545.00 H new ATOM 0 HZ2 LYS A 33 30.336 16.287 -6.506 1.00545.00 H new ATOM 0 HZ3 LYS A 33 32.012 16.172 -6.754 1.00545.00 H new ATOM 560 N TRP A 34 31.732 10.981 -6.170 1.00 83.08 N ATOM 561 CA TRP A 34 31.945 10.922 -4.728 1.00 84.80 C ATOM 562 C TRP A 34 33.116 9.986 -4.404 1.00 77.06 C ATOM 563 O TRP A 34 33.929 10.269 -3.519 1.00 88.78 O ATOM 564 CB TRP A 34 30.664 10.463 -4.024 1.00 87.86 C ATOM 565 CG TRP A 34 30.630 10.792 -2.559 1.00139.00 C ATOM 566 CD1 TRP A 34 30.180 11.957 -2.007 1.00136.46 C ATOM 567 CD2 TRP A 34 31.031 9.960 -1.463 1.00409.53 C ATOM 568 NE1 TRP A 34 30.288 11.908 -0.639 1.00289.99 N ATOM 569 CE2 TRP A 34 30.806 10.693 -0.279 1.00536.36 C ATOM 570 CE3 TRP A 34 31.562 8.671 -1.363 1.00753.70 C ATOM 571 CZ2 TRP A 34 31.092 10.179 0.983 1.00999.99 C ATOM 572 CZ3 TRP A 34 31.844 8.165 -0.108 1.00999.99 C ATOM 573 CH2 TRP A 34 31.608 8.916 1.048 1.00999.99 C ATOM 0 H TRP A 34 30.878 10.524 -6.490 1.00 83.08 H new ATOM 0 HA TRP A 34 32.196 11.918 -4.364 1.00 84.80 H new ATOM 0 HB2 TRP A 34 29.806 10.926 -4.511 1.00 87.86 H new ATOM 0 HB3 TRP A 34 30.558 9.385 -4.148 1.00 87.86 H new ATOM 0 HD1 TRP A 34 29.794 12.797 -2.566 1.00136.46 H new ATOM 0 HE1 TRP A 34 30.025 12.655 0.004 1.00289.99 H new ATOM 0 HE3 TRP A 34 31.748 8.082 -2.249 1.00753.70 H new ATOM 0 HZ2 TRP A 34 30.913 10.757 1.877 1.00999.99 H new ATOM 0 HZ3 TRP A 34 32.255 7.170 -0.018 1.00999.99 H new ATOM 0 HH2 TRP A 34 31.839 8.488 2.012 1.00999.99 H new ATOM 584 N LEU A 35 33.193 8.872 -5.138 1.00 67.65 N ATOM 585 CA LEU A 35 34.252 7.876 -4.946 1.00 72.29 C ATOM 586 C LEU A 35 35.644 8.433 -5.244 1.00 90.96 C ATOM 587 O LEU A 35 36.605 8.087 -4.568 1.00102.65 O ATOM 588 CB LEU A 35 34.002 6.635 -5.808 1.00 75.67 C ATOM 589 CG LEU A 35 32.825 5.760 -5.368 1.00107.58 C ATOM 590 CD1 LEU A 35 32.547 4.683 -6.405 1.00205.93 C ATOM 591 CD2 LEU A 35 33.102 5.133 -4.009 1.00169.22 C ATOM 0 H LEU A 35 32.529 8.636 -5.876 1.00 67.65 H new ATOM 0 HA LEU A 35 34.222 7.599 -3.892 1.00 72.29 H new ATOM 0 HB2 LEU A 35 33.831 6.955 -6.836 1.00 75.67 H new ATOM 0 HB3 LEU A 35 34.906 6.026 -5.810 1.00 75.67 H new ATOM 0 HG LEU A 35 31.941 6.392 -5.280 1.00107.58 H new ATOM 0 HD11 LEU A 35 31.708 4.070 -6.077 1.00205.93 H new ATOM 0 HD12 LEU A 35 32.304 5.151 -7.359 1.00205.93 H new ATOM 0 HD13 LEU A 35 33.430 4.055 -6.523 1.00205.93 H new ATOM 0 HD21 LEU A 35 32.254 4.515 -3.714 1.00169.22 H new ATOM 0 HD22 LEU A 35 33.998 4.515 -4.069 1.00169.22 H new ATOM 0 HD23 LEU A 35 33.253 5.919 -3.269 1.00169.22 H new ATOM 603 N ARG A 36 35.771 9.270 -6.267 1.00104.16 N ATOM 604 CA ARG A 36 37.077 9.837 -6.603 1.00135.85 C ATOM 605 C ARG A 36 37.581 10.775 -5.500 1.00142.78 C ATOM 606 O ARG A 36 38.774 11.068 -5.423 1.00164.88 O ATOM 607 CB ARG A 36 37.036 10.567 -7.954 1.00166.93 C ATOM 608 CG ARG A 36 36.258 11.872 -7.939 1.00178.27 C ATOM 609 CD ARG A 36 36.360 12.598 -9.272 1.00195.26 C ATOM 610 NE ARG A 36 37.723 13.050 -9.546 1.00253.66 N ATOM 611 CZ ARG A 36 38.091 13.645 -10.677 1.00294.34 C ATOM 612 NH1 ARG A 36 37.198 13.864 -11.634 1.00307.82 N1+ ATOM 613 NH2 ARG A 36 39.351 14.021 -10.849 1.00557.46 N ATOM 0 H ARG A 36 35.004 9.568 -6.869 1.00104.16 H new ATOM 0 HA ARG A 36 37.778 9.007 -6.686 1.00135.85 H new ATOM 0 HB2 ARG A 36 38.058 10.771 -8.274 1.00166.93 H new ATOM 0 HB3 ARG A 36 36.595 9.904 -8.698 1.00166.93 H new ATOM 0 HG2 ARG A 36 35.211 11.670 -7.713 1.00178.27 H new ATOM 0 HG3 ARG A 36 36.638 12.514 -7.144 1.00178.27 H new ATOM 0 HD2 ARG A 36 36.030 11.935 -10.072 1.00195.26 H new ATOM 0 HD3 ARG A 36 35.687 13.455 -9.270 1.00195.26 H new ATOM 0 HE ARG A 36 38.432 12.900 -8.829 1.00253.66 H new ATOM 0 HH11 ARG A 36 36.228 13.576 -11.502 1.00307.82 H new ATOM 0 HH12 ARG A 36 37.481 14.320 -12.501 1.00307.82 H new ATOM 0 HH21 ARG A 36 40.038 13.854 -10.114 1.00557.46 H new ATOM 0 HH22 ARG A 36 39.633 14.477 -11.716 1.00557.46 H new ATOM 627 N VAL A 37 36.667 11.246 -4.648 1.00136.12 N ATOM 628 CA VAL A 37 37.032 12.156 -3.565 1.00154.88 C ATOM 629 C VAL A 37 37.212 11.431 -2.221 1.00143.45 C ATOM 630 O VAL A 37 38.249 11.573 -1.573 1.00169.85 O ATOM 631 CB VAL A 37 35.975 13.272 -3.401 1.00178.07 C ATOM 632 CG1 VAL A 37 36.388 14.263 -2.320 1.00242.50 C ATOM 633 CG2 VAL A 37 35.741 13.990 -4.723 1.00284.57 C ATOM 0 H VAL A 37 35.675 11.013 -4.688 1.00136.12 H new ATOM 0 HA VAL A 37 37.990 12.593 -3.845 1.00154.88 H new ATOM 0 HB VAL A 37 35.040 12.805 -3.092 1.00178.07 H new ATOM 0 HG11 VAL A 37 35.626 15.037 -2.226 1.00242.50 H new ATOM 0 HG12 VAL A 37 36.494 13.741 -1.369 1.00242.50 H new ATOM 0 HG13 VAL A 37 37.339 14.721 -2.591 1.00242.50 H new ATOM 0 HG21 VAL A 37 34.994 14.771 -4.585 1.00284.57 H new ATOM 0 HG22 VAL A 37 36.675 14.437 -5.065 1.00284.57 H new ATOM 0 HG23 VAL A 37 35.387 13.276 -5.467 1.00284.57 H new ATOM 643 N HIS A 38 36.213 10.648 -1.806 1.00121.32 N ATOM 644 CA HIS A 38 36.287 9.949 -0.514 1.00129.78 C ATOM 645 C HIS A 38 36.410 8.431 -0.663 1.00120.66 C ATOM 646 O HIS A 38 36.634 7.724 0.320 1.00116.64 O ATOM 647 CB HIS A 38 35.056 10.276 0.337 1.00157.70 C ATOM 648 CG HIS A 38 34.900 11.734 0.651 1.00198.72 C ATOM 649 ND1 HIS A 38 35.729 12.429 1.503 1.00348.77 N ATOM 650 CD2 HIS A 38 33.981 12.630 0.207 1.00293.18 C ATOM 651 CE1 HIS A 38 35.297 13.698 1.552 1.00350.44 C ATOM 652 NE2 HIS A 38 34.240 13.871 0.784 1.00300.00 N ATOM 0 H HIS A 38 35.356 10.482 -2.333 1.00121.32 H new ATOM 0 HA HIS A 38 37.193 10.304 -0.022 1.00129.78 H new ATOM 0 HB2 HIS A 38 34.164 9.930 -0.185 1.00157.70 H new ATOM 0 HB3 HIS A 38 35.115 9.718 1.272 1.00157.70 H new ATOM 0 HD2 HIS A 38 33.178 12.415 -0.483 1.00293.18 H new ATOM 0 HE1 HIS A 38 35.756 14.476 2.144 1.00350.44 H new ATOM 0 HE2 HIS A 38 33.719 14.736 0.641 1.00300.00 H new ATOM 660 N GLY A 39 36.268 7.937 -1.886 1.00146.01 N ATOM 661 CA GLY A 39 36.356 6.502 -2.138 1.00174.62 C ATOM 662 C GLY A 39 37.745 5.933 -1.924 1.00178.59 C ATOM 663 O GLY A 39 37.905 4.722 -1.783 1.00199.70 O ATOM 0 H GLY A 39 36.092 8.504 -2.716 1.00146.01 H new ATOM 0 HA2 GLY A 39 35.655 5.983 -1.484 1.00174.62 H new ATOM 0 HA3 GLY A 39 36.044 6.302 -3.163 1.00174.62 H new ATOM 667 N ARG A 40 38.747 6.806 -1.906 1.00182.39 N ATOM 668 CA ARG A 40 40.133 6.391 -1.705 1.00216.75 C ATOM 669 C ARG A 40 40.323 5.712 -0.348 1.00196.87 C ATOM 670 O ARG A 40 41.059 4.733 -0.232 1.00235.83 O ATOM 671 CB ARG A 40 41.066 7.604 -1.822 1.00256.63 C ATOM 672 CG ARG A 40 42.540 7.264 -1.658 1.00454.12 C ATOM 673 CD ARG A 40 43.428 8.462 -1.951 1.00632.70 C ATOM 674 NE ARG A 40 43.392 8.839 -3.361 1.00929.04 N ATOM 675 CZ ARG A 40 44.040 9.886 -3.864 1.00999.99 C ATOM 676 NH1 ARG A 40 44.778 10.653 -3.073 1.00999.99 N1+ ATOM 677 NH2 ARG A 40 43.951 10.163 -5.158 1.00999.99 N ATOM 0 H ARG A 40 38.625 7.811 -2.029 1.00182.39 H new ATOM 0 HA ARG A 40 40.382 5.666 -2.480 1.00216.75 H new ATOM 0 HB2 ARG A 40 40.917 8.073 -2.795 1.00256.63 H new ATOM 0 HB3 ARG A 40 40.786 8.340 -1.068 1.00256.63 H new ATOM 0 HG2 ARG A 40 42.722 6.916 -0.641 1.00454.12 H new ATOM 0 HG3 ARG A 40 42.801 6.445 -2.328 1.00454.12 H new ATOM 0 HD2 ARG A 40 43.109 9.307 -1.342 1.00632.70 H new ATOM 0 HD3 ARG A 40 44.454 8.232 -1.664 1.00632.70 H new ATOM 0 HE ARG A 40 42.838 8.266 -3.997 1.00929.04 H new ATOM 0 HH11 ARG A 40 44.849 10.440 -2.078 1.00999.99 H new ATOM 0 HH12 ARG A 40 45.275 11.456 -3.460 1.00999.99 H new ATOM 0 HH21 ARG A 40 43.385 9.573 -5.768 1.00999.99 H new ATOM 0 HH22 ARG A 40 44.448 10.966 -5.543 1.00999.99 H new ATOM 691 N THR A 41 39.659 6.237 0.678 1.00164.55 N ATOM 692 CA THR A 41 39.778 5.683 2.022 1.00180.03 C ATOM 693 C THR A 41 38.717 4.623 2.319 1.00143.11 C ATOM 694 O THR A 41 38.769 3.962 3.357 1.00157.45 O ATOM 695 CB THR A 41 39.707 6.794 3.087 1.00225.23 C ATOM 696 OG1 THR A 41 38.476 7.517 2.968 1.00193.89 O ATOM 697 CG2 THR A 41 40.878 7.757 2.941 1.00302.80 C ATOM 0 H THR A 41 39.036 7.041 0.605 1.00164.55 H new ATOM 0 HA THR A 41 40.754 5.199 2.065 1.00180.03 H new ATOM 0 HB THR A 41 39.757 6.325 4.069 1.00225.23 H new ATOM 0 HG1 THR A 41 38.442 8.219 3.651 1.00193.89 H new ATOM 0 HG21 THR A 41 40.808 8.533 3.703 1.00302.80 H new ATOM 0 HG22 THR A 41 41.814 7.212 3.063 1.00302.80 H new ATOM 0 HG23 THR A 41 40.851 8.215 1.952 1.00302.80 H new ATOM 705 N LEU A 42 37.756 4.473 1.418 1.00124.95 N ATOM 706 CA LEU A 42 36.691 3.484 1.597 1.00116.90 C ATOM 707 C LEU A 42 37.205 2.064 1.384 1.00113.15 C ATOM 708 O LEU A 42 38.035 1.817 0.509 1.00123.92 O ATOM 709 CB LEU A 42 35.521 3.742 0.645 1.00142.95 C ATOM 710 CG LEU A 42 34.764 5.054 0.860 1.00251.09 C ATOM 711 CD1 LEU A 42 33.694 5.218 -0.207 1.00184.69 C ATOM 712 CD2 LEU A 42 34.144 5.098 2.248 1.00581.97 C ATOM 0 H LEU A 42 37.688 5.018 0.559 1.00124.95 H new ATOM 0 HA LEU A 42 36.343 3.585 2.625 1.00116.90 H new ATOM 0 HB2 LEU A 42 35.899 3.726 -0.377 1.00142.95 H new ATOM 0 HB3 LEU A 42 34.814 2.917 0.737 1.00142.95 H new ATOM 0 HG LEU A 42 35.471 5.880 0.780 1.00251.09 H new ATOM 0 HD11 LEU A 42 33.160 6.155 -0.046 1.00184.69 H new ATOM 0 HD12 LEU A 42 34.161 5.231 -1.192 1.00184.69 H new ATOM 0 HD13 LEU A 42 32.992 4.386 -0.149 1.00184.69 H new ATOM 0 HD21 LEU A 42 33.611 6.040 2.379 1.00581.97 H new ATOM 0 HD22 LEU A 42 33.447 4.268 2.362 1.00581.97 H new ATOM 0 HD23 LEU A 42 34.929 5.018 3.000 1.00581.97 H new ATOM 724 N SER A 43 36.709 1.137 2.193 1.00110.08 N ATOM 725 CA SER A 43 37.095 -0.264 2.076 1.00115.78 C ATOM 726 C SER A 43 36.366 -0.921 0.903 1.00104.58 C ATOM 727 O SER A 43 35.423 -0.349 0.348 1.00 88.16 O ATOM 728 CB SER A 43 36.797 -1.016 3.378 1.00123.68 C ATOM 729 OG SER A 43 35.402 -1.140 3.593 1.00239.07 O ATOM 0 H SER A 43 36.039 1.329 2.937 1.00110.08 H new ATOM 0 HA SER A 43 38.168 -0.311 1.889 1.00115.78 H new ATOM 0 HB2 SER A 43 37.251 -2.006 3.341 1.00123.68 H new ATOM 0 HB3 SER A 43 37.251 -0.489 4.217 1.00123.68 H new ATOM 0 HG SER A 43 35.242 -1.625 4.429 1.00239.07 H new ATOM 735 N THR A 44 36.799 -2.124 0.536 1.00124.16 N ATOM 736 CA THR A 44 36.187 -2.864 -0.566 1.00127.73 C ATOM 737 C THR A 44 34.712 -3.148 -0.274 1.00110.92 C ATOM 738 O THR A 44 33.859 -3.040 -1.159 1.00105.30 O ATOM 739 CB THR A 44 36.928 -4.195 -0.822 1.00167.62 C ATOM 740 OG1 THR A 44 38.303 -3.931 -1.129 1.00188.24 O ATOM 741 CG2 THR A 44 36.297 -4.969 -1.973 1.00192.01 C ATOM 0 H THR A 44 37.574 -2.610 0.987 1.00124.16 H new ATOM 0 HA THR A 44 36.262 -2.244 -1.459 1.00127.73 H new ATOM 0 HB THR A 44 36.854 -4.800 0.082 1.00167.62 H new ATOM 0 HG1 THR A 44 38.771 -4.777 -1.289 1.00188.24 H new ATOM 0 HG21 THR A 44 36.842 -5.900 -2.127 1.00192.01 H new ATOM 0 HG22 THR A 44 35.257 -5.192 -1.734 1.00192.01 H new ATOM 0 HG23 THR A 44 36.340 -4.369 -2.882 1.00192.01 H new ATOM 749 N VAL A 45 34.421 -3.497 0.979 1.00112.05 N ATOM 750 CA VAL A 45 33.056 -3.794 1.397 1.00108.03 C ATOM 751 C VAL A 45 32.175 -2.547 1.313 1.00 83.86 C ATOM 752 O VAL A 45 31.051 -2.606 0.814 1.00 73.11 O ATOM 753 CB VAL A 45 33.030 -4.349 2.842 1.00130.87 C ATOM 754 CG1 VAL A 45 31.605 -4.459 3.369 1.00278.45 C ATOM 755 CG2 VAL A 45 33.732 -5.698 2.906 1.00128.50 C ATOM 0 H VAL A 45 35.115 -3.580 1.722 1.00112.05 H new ATOM 0 HA VAL A 45 32.663 -4.551 0.719 1.00108.03 H new ATOM 0 HB VAL A 45 33.566 -3.646 3.481 1.00130.87 H new ATOM 0 HG11 VAL A 45 31.622 -4.852 4.386 1.00278.45 H new ATOM 0 HG12 VAL A 45 31.140 -3.473 3.369 1.00278.45 H new ATOM 0 HG13 VAL A 45 31.032 -5.131 2.730 1.00278.45 H new ATOM 0 HG21 VAL A 45 33.705 -6.074 3.929 1.00128.50 H new ATOM 0 HG22 VAL A 45 33.226 -6.403 2.246 1.00128.50 H new ATOM 0 HG23 VAL A 45 34.769 -5.584 2.589 1.00128.50 H new ATOM 765 N GLN A 46 32.700 -1.417 1.786 1.00 84.69 N ATOM 766 CA GLN A 46 31.959 -0.157 1.761 1.00 73.08 C ATOM 767 C GLN A 46 31.676 0.290 0.328 1.00 62.50 C ATOM 768 O GLN A 46 30.581 0.768 0.027 1.00 57.12 O ATOM 769 CB GLN A 46 32.741 0.928 2.503 1.00 83.39 C ATOM 770 CG GLN A 46 32.788 0.724 4.008 1.00132.44 C ATOM 771 CD GLN A 46 33.761 1.666 4.690 1.00203.35 C ATOM 772 OE1 GLN A 46 34.780 2.045 4.112 1.00316.42 O ATOM 773 NE2 GLN A 46 33.456 2.047 5.924 1.00302.94 N ATOM 0 H GLN A 46 33.634 -1.349 2.190 1.00 84.69 H new ATOM 0 HA GLN A 46 31.004 -0.318 2.261 1.00 73.08 H new ATOM 0 HB2 GLN A 46 33.760 0.958 2.117 1.00 83.39 H new ATOM 0 HB3 GLN A 46 32.291 1.898 2.290 1.00 83.39 H new ATOM 0 HG2 GLN A 46 31.791 0.873 4.423 1.00132.44 H new ATOM 0 HG3 GLN A 46 33.072 -0.306 4.223 1.00132.44 H new ATOM 0 HE21 GLN A 46 32.601 1.709 6.366 1.00302.94 H new ATOM 0 HE22 GLN A 46 34.077 2.678 6.431 1.00302.94 H new ATOM 782 N LYS A 47 32.670 0.141 -0.548 1.00 68.99 N ATOM 783 CA LYS A 47 32.517 0.517 -1.951 1.00 69.16 C ATOM 784 C LYS A 47 31.435 -0.327 -2.625 1.00 64.72 C ATOM 785 O LYS A 47 30.575 0.199 -3.333 1.00 64.19 O ATOM 786 CB LYS A 47 33.852 0.362 -2.691 1.00 90.60 C ATOM 787 CG LYS A 47 33.798 0.776 -4.155 1.00150.76 C ATOM 788 CD LYS A 47 35.180 0.779 -4.791 1.00204.08 C ATOM 789 CE LYS A 47 35.717 -0.632 -4.981 1.00309.70 C ATOM 790 NZ LYS A 47 34.922 -1.400 -5.980 1.00470.35 N1+ ATOM 0 H LYS A 47 33.587 -0.237 -0.310 1.00 68.99 H new ATOM 0 HA LYS A 47 32.210 1.562 -1.994 1.00 69.16 H new ATOM 0 HB2 LYS A 47 34.609 0.959 -2.183 1.00 90.60 H new ATOM 0 HB3 LYS A 47 34.172 -0.678 -2.629 1.00 90.60 H new ATOM 0 HG2 LYS A 47 33.147 0.094 -4.702 1.00150.76 H new ATOM 0 HG3 LYS A 47 33.358 1.770 -4.236 1.00150.76 H new ATOM 0 HD2 LYS A 47 35.135 1.284 -5.756 1.00204.08 H new ATOM 0 HD3 LYS A 47 35.867 1.348 -4.165 1.00204.08 H new ATOM 0 HE2 LYS A 47 36.757 -0.584 -5.304 1.00309.70 H new ATOM 0 HE3 LYS A 47 35.704 -1.157 -4.026 1.00309.70 H new ATOM 0 HZ1 LYS A 47 35.453 -2.246 -6.270 1.00470.35 H new ATOM 0 HZ2 LYS A 47 34.017 -1.687 -5.556 1.00470.35 H new ATOM 0 HZ3 LYS A 47 34.741 -0.803 -6.812 1.00470.35 H new ATOM 804 N LYS A 48 31.486 -1.639 -2.395 1.00 67.82 N ATOM 805 CA LYS A 48 30.509 -2.564 -2.970 1.00 69.90 C ATOM 806 C LYS A 48 29.108 -2.295 -2.413 1.00 62.02 C ATOM 807 O LYS A 48 28.118 -2.332 -3.146 1.00 68.08 O ATOM 808 CB LYS A 48 30.924 -4.015 -2.694 1.00 78.57 C ATOM 809 CG LYS A 48 30.079 -5.053 -3.422 1.00114.97 C ATOM 810 CD LYS A 48 30.195 -4.924 -4.935 1.00200.36 C ATOM 811 CE LYS A 48 31.584 -5.308 -5.426 1.00259.67 C ATOM 812 NZ LYS A 48 31.683 -5.258 -6.911 1.00369.78 N1+ ATOM 0 H LYS A 48 32.195 -2.086 -1.813 1.00 67.82 H new ATOM 0 HA LYS A 48 30.482 -2.405 -4.048 1.00 69.90 H new ATOM 0 HB2 LYS A 48 31.967 -4.144 -2.982 1.00 78.57 H new ATOM 0 HB3 LYS A 48 30.864 -4.201 -1.622 1.00 78.57 H new ATOM 0 HG2 LYS A 48 30.391 -6.052 -3.118 1.00114.97 H new ATOM 0 HG3 LYS A 48 29.035 -4.942 -3.128 1.00114.97 H new ATOM 0 HD2 LYS A 48 29.451 -5.561 -5.413 1.00200.36 H new ATOM 0 HD3 LYS A 48 29.975 -3.898 -5.231 1.00200.36 H new ATOM 0 HE2 LYS A 48 32.322 -4.634 -4.990 1.00259.67 H new ATOM 0 HE3 LYS A 48 31.826 -6.313 -5.080 1.00259.67 H new ATOM 0 HZ1 LYS A 48 32.644 -5.526 -7.204 1.00369.78 H new ATOM 0 HZ2 LYS A 48 30.997 -5.920 -7.327 1.00369.78 H new ATOM 0 HZ3 LYS A 48 31.477 -4.293 -7.240 1.00369.78 H new ATOM 826 N ALA A 49 29.043 -2.021 -1.109 1.00 57.48 N ATOM 827 CA ALA A 49 27.781 -1.734 -0.427 1.00 60.42 C ATOM 828 C ALA A 49 27.101 -0.495 -1.006 1.00 61.38 C ATOM 829 O ALA A 49 25.874 -0.436 -1.097 1.00 66.37 O ATOM 830 CB ALA A 49 28.012 -1.558 1.068 1.00 66.79 C ATOM 0 H ALA A 49 29.860 -1.992 -0.499 1.00 57.48 H new ATOM 0 HA ALA A 49 27.118 -2.585 -0.586 1.00 60.42 H new ATOM 0 HB1 ALA A 49 27.063 -1.345 1.560 1.00 66.79 H new ATOM 0 HB2 ALA A 49 28.438 -2.473 1.481 1.00 66.79 H new ATOM 0 HB3 ALA A 49 28.701 -0.730 1.235 1.00 66.79 H new ATOM 836 N LEU A 50 27.911 0.491 -1.391 1.00 62.68 N ATOM 837 CA LEU A 50 27.407 1.741 -1.959 1.00 69.31 C ATOM 838 C LEU A 50 26.586 1.486 -3.224 1.00 70.74 C ATOM 839 O LEU A 50 25.566 2.143 -3.447 1.00 73.63 O ATOM 840 CB LEU A 50 28.565 2.694 -2.266 1.00 82.39 C ATOM 841 CG LEU A 50 28.155 4.048 -2.852 1.00116.72 C ATOM 842 CD1 LEU A 50 27.252 4.799 -1.883 1.00238.30 C ATOM 843 CD2 LEU A 50 29.383 4.880 -3.187 1.00212.40 C ATOM 0 H LEU A 50 28.927 0.447 -1.319 1.00 62.68 H new ATOM 0 HA LEU A 50 26.754 2.203 -1.219 1.00 69.31 H new ATOM 0 HB2 LEU A 50 29.125 2.868 -1.347 1.00 82.39 H new ATOM 0 HB3 LEU A 50 29.243 2.204 -2.965 1.00 82.39 H new ATOM 0 HG LEU A 50 27.599 3.868 -3.772 1.00116.72 H new ATOM 0 HD11 LEU A 50 26.971 5.759 -2.317 1.00238.30 H new ATOM 0 HD12 LEU A 50 26.355 4.211 -1.692 1.00238.30 H new ATOM 0 HD13 LEU A 50 27.783 4.966 -0.946 1.00238.30 H new ATOM 0 HD21 LEU A 50 29.071 5.838 -3.602 1.00212.40 H new ATOM 0 HD22 LEU A 50 29.966 5.049 -2.282 1.00212.40 H new ATOM 0 HD23 LEU A 50 29.994 4.350 -3.918 1.00212.40 H new ATOM 855 N TYR A 51 27.034 0.542 -4.050 1.00 75.10 N ATOM 856 CA TYR A 51 26.322 0.208 -5.284 1.00 85.35 C ATOM 857 C TYR A 51 24.911 -0.288 -4.971 1.00 79.83 C ATOM 858 O TYR A 51 23.956 0.048 -5.673 1.00 87.67 O ATOM 859 CB TYR A 51 27.086 -0.855 -6.080 1.00 99.89 C ATOM 860 CG TYR A 51 28.280 -0.314 -6.836 1.00148.88 C ATOM 861 CD1 TYR A 51 29.515 -0.165 -6.217 1.00210.99 C ATOM 862 CD2 TYR A 51 28.173 0.043 -8.175 1.00198.78 C ATOM 863 CE1 TYR A 51 30.606 0.325 -6.908 1.00319.60 C ATOM 864 CE2 TYR A 51 29.260 0.534 -8.873 1.00303.12 C ATOM 865 CZ TYR A 51 30.474 0.673 -8.235 1.00362.33 C ATOM 866 OH TYR A 51 31.559 1.160 -8.925 1.00526.93 O ATOM 0 H TYR A 51 27.881 -0.003 -3.889 1.00 75.10 H new ATOM 0 HA TYR A 51 26.251 1.112 -5.889 1.00 85.35 H new ATOM 0 HB2 TYR A 51 27.424 -1.634 -5.396 1.00 99.89 H new ATOM 0 HB3 TYR A 51 26.403 -1.326 -6.787 1.00 99.89 H new ATOM 0 HD1 TYR A 51 29.624 -0.437 -5.178 1.00210.99 H new ATOM 0 HD2 TYR A 51 27.224 -0.065 -8.679 1.00198.78 H new ATOM 0 HE1 TYR A 51 31.558 0.435 -6.411 1.00319.60 H new ATOM 0 HE2 TYR A 51 29.159 0.807 -9.913 1.00303.12 H new ATOM 0 HH TYR A 51 31.298 1.356 -9.849 1.00526.93 H new ATOM 876 N PHE A 52 24.790 -1.091 -3.914 1.00 73.80 N ATOM 877 CA PHE A 52 23.493 -1.611 -3.487 1.00 78.52 C ATOM 878 C PHE A 52 22.613 -0.467 -2.990 1.00 77.09 C ATOM 879 O PHE A 52 21.408 -0.436 -3.246 1.00 86.78 O ATOM 880 CB PHE A 52 23.665 -2.665 -2.390 1.00 81.58 C ATOM 881 CG PHE A 52 22.393 -3.393 -2.046 1.00 88.24 C ATOM 882 CD1 PHE A 52 21.858 -4.328 -2.919 1.00 96.73 C ATOM 883 CD2 PHE A 52 21.739 -3.145 -0.849 1.00114.33 C ATOM 884 CE1 PHE A 52 20.693 -5.003 -2.604 1.00134.05 C ATOM 885 CE2 PHE A 52 20.575 -3.818 -0.529 1.00151.49 C ATOM 886 CZ PHE A 52 20.051 -4.748 -1.408 1.00162.88 C ATOM 0 H PHE A 52 25.575 -1.395 -3.338 1.00 73.80 H new ATOM 0 HA PHE A 52 23.011 -2.086 -4.341 1.00 78.52 H new ATOM 0 HB2 PHE A 52 24.413 -3.390 -2.709 1.00 81.58 H new ATOM 0 HB3 PHE A 52 24.051 -2.183 -1.492 1.00 81.58 H new ATOM 0 HD1 PHE A 52 22.357 -4.531 -3.855 1.00 96.73 H new ATOM 0 HD2 PHE A 52 22.143 -2.419 -0.160 1.00114.33 H new ATOM 0 HE1 PHE A 52 20.286 -5.729 -3.292 1.00134.05 H new ATOM 0 HE2 PHE A 52 20.075 -3.618 0.407 1.00151.49 H new ATOM 0 HZ PHE A 52 19.141 -5.274 -1.160 1.00162.88 H new ATOM 896 N VAL A 53 23.233 0.469 -2.268 1.00 72.38 N ATOM 897 CA VAL A 53 22.532 1.635 -1.741 1.00 78.11 C ATOM 898 C VAL A 53 21.954 2.460 -2.888 1.00 78.26 C ATOM 899 O VAL A 53 20.809 2.909 -2.828 1.00 82.85 O ATOM 900 CB VAL A 53 23.472 2.517 -0.889 1.00 88.71 C ATOM 901 CG1 VAL A 53 22.806 3.837 -0.519 1.00139.01 C ATOM 902 CG2 VAL A 53 23.916 1.771 0.361 1.00 99.39 C ATOM 0 H VAL A 53 24.226 0.439 -2.035 1.00 72.38 H new ATOM 0 HA VAL A 53 21.723 1.280 -1.102 1.00 78.11 H new ATOM 0 HB VAL A 53 24.353 2.745 -1.489 1.00 88.71 H new ATOM 0 HG11 VAL A 53 23.492 4.435 0.080 1.00139.01 H new ATOM 0 HG12 VAL A 53 22.548 4.382 -1.427 1.00139.01 H new ATOM 0 HG13 VAL A 53 21.901 3.639 0.055 1.00139.01 H new ATOM 0 HG21 VAL A 53 24.577 2.407 0.949 1.00 99.39 H new ATOM 0 HG22 VAL A 53 23.042 1.507 0.957 1.00 99.39 H new ATOM 0 HG23 VAL A 53 24.447 0.863 0.074 1.00 99.39 H new ATOM 912 N ASN A 54 22.761 2.650 -3.934 1.00 78.13 N ATOM 913 CA ASN A 54 22.333 3.399 -5.113 1.00 83.25 C ATOM 914 C ASN A 54 21.128 2.715 -5.757 1.00 84.63 C ATOM 915 O ASN A 54 20.187 3.377 -6.195 1.00 86.92 O ATOM 916 CB ASN A 54 23.481 3.503 -6.122 1.00 91.85 C ATOM 917 CG ASN A 54 23.190 4.489 -7.236 1.00 96.19 C ATOM 918 OD1 ASN A 54 22.582 5.535 -7.013 1.00198.61 O ATOM 919 ND2 ASN A 54 23.628 4.164 -8.446 1.00192.41 N ATOM 0 H ASN A 54 23.715 2.294 -3.987 1.00 78.13 H new ATOM 0 HA ASN A 54 22.047 4.405 -4.805 1.00 83.25 H new ATOM 0 HB2 ASN A 54 24.390 3.805 -5.602 1.00 91.85 H new ATOM 0 HB3 ASN A 54 23.672 2.520 -6.552 1.00 91.85 H new ATOM 0 HD21 ASN A 54 23.464 4.792 -9.233 1.00192.41 H new ATOM 0 HD22 ASN A 54 24.128 3.287 -8.589 1.00192.41 H new ATOM 926 N ARG A 55 21.171 1.383 -5.800 1.00 88.50 N ATOM 927 CA ARG A 55 20.082 0.584 -6.359 1.00 98.75 C ATOM 928 C ARG A 55 18.782 0.826 -5.590 1.00 97.79 C ATOM 929 O ARG A 55 17.727 1.053 -6.185 1.00101.21 O ATOM 930 CB ARG A 55 20.458 -0.901 -6.308 1.00116.41 C ATOM 931 CG ARG A 55 19.346 -1.844 -6.743 1.00288.25 C ATOM 932 CD ARG A 55 19.806 -3.293 -6.702 1.00341.30 C ATOM 933 NE ARG A 55 18.716 -4.219 -7.002 1.00604.73 N ATOM 934 CZ ARG A 55 17.851 -4.659 -6.091 1.00899.45 C ATOM 935 NH1 ARG A 55 17.966 -4.278 -4.825 1.00985.87 N1+ ATOM 936 NH2 ARG A 55 16.873 -5.480 -6.444 1.00999.99 N ATOM 0 H ARG A 55 21.955 0.832 -5.451 1.00 88.50 H new ATOM 0 HA ARG A 55 19.924 0.882 -7.395 1.00 98.75 H new ATOM 0 HB2 ARG A 55 21.328 -1.066 -6.944 1.00116.41 H new ATOM 0 HB3 ARG A 55 20.755 -1.154 -5.290 1.00116.41 H new ATOM 0 HG2 ARG A 55 18.481 -1.716 -6.092 1.00288.25 H new ATOM 0 HG3 ARG A 55 19.025 -1.590 -7.753 1.00288.25 H new ATOM 0 HD2 ARG A 55 20.614 -3.438 -7.420 1.00341.30 H new ATOM 0 HD3 ARG A 55 20.212 -3.517 -5.716 1.00341.30 H new ATOM 0 HE ARG A 55 18.612 -4.546 -7.963 1.00604.73 H new ATOM 0 HH11 ARG A 55 18.718 -3.647 -4.549 1.00985.87 H new ATOM 0 HH12 ARG A 55 17.302 -4.616 -4.128 1.00985.87 H new ATOM 0 HH21 ARG A 55 16.782 -5.776 -7.416 1.00999.99 H new ATOM 0 HH22 ARG A 55 16.211 -5.816 -5.744 1.00999.99 H new ATOM 950 N ARG A 56 18.865 0.772 -4.263 1.00 98.41 N ATOM 951 CA ARG A 56 17.702 1.006 -3.412 1.00106.42 C ATOM 952 C ARG A 56 17.201 2.445 -3.560 1.00100.09 C ATOM 953 O ARG A 56 15.996 2.699 -3.593 1.00108.57 O ATOM 954 CB ARG A 56 18.054 0.727 -1.949 1.00116.55 C ATOM 955 CG ARG A 56 18.310 -0.743 -1.646 1.00185.66 C ATOM 956 CD ARG A 56 17.035 -1.569 -1.730 1.00266.48 C ATOM 957 NE ARG A 56 16.031 -1.133 -0.759 1.00347.92 N ATOM 958 CZ ARG A 56 16.005 -1.528 0.511 1.00504.69 C ATOM 959 NH1 ARG A 56 16.920 -2.377 0.964 1.00659.58 N1+ ATOM 960 NH2 ARG A 56 15.063 -1.075 1.329 1.00799.65 N ATOM 0 H ARG A 56 19.725 0.568 -3.754 1.00 98.41 H new ATOM 0 HA ARG A 56 16.908 0.328 -3.726 1.00106.42 H new ATOM 0 HB2 ARG A 56 18.940 1.303 -1.683 1.00116.55 H new ATOM 0 HB3 ARG A 56 17.241 1.082 -1.316 1.00116.55 H new ATOM 0 HG2 ARG A 56 19.044 -1.136 -2.349 1.00185.66 H new ATOM 0 HG3 ARG A 56 18.740 -0.839 -0.649 1.00185.66 H new ATOM 0 HD2 ARG A 56 16.622 -1.495 -2.736 1.00266.48 H new ATOM 0 HD3 ARG A 56 17.272 -2.619 -1.559 1.00266.48 H new ATOM 0 HE ARG A 56 15.307 -0.487 -1.075 1.00347.92 H new ATOM 0 HH11 ARG A 56 17.645 -2.728 0.338 1.00659.58 H new ATOM 0 HH12 ARG A 56 16.898 -2.678 1.938 1.00659.58 H new ATOM 0 HH21 ARG A 56 14.358 -0.423 0.984 1.00799.65 H new ATOM 0 HH22 ARG A 56 15.044 -1.378 2.303 1.00799.65 H new ATOM 974 N TYR A 57 18.144 3.378 -3.632 1.00 92.07 N ATOM 975 CA TYR A 57 17.834 4.798 -3.772 1.00 93.10 C ATOM 976 C TYR A 57 17.093 5.110 -5.076 1.00 88.78 C ATOM 977 O TYR A 57 16.075 5.802 -5.062 1.00 94.67 O ATOM 978 CB TYR A 57 19.121 5.629 -3.686 1.00 97.74 C ATOM 979 CG TYR A 57 18.903 7.122 -3.817 1.00101.00 C ATOM 980 CD1 TYR A 57 18.338 7.853 -2.779 1.00118.80 C ATOM 981 CD2 TYR A 57 19.265 7.800 -4.976 1.00 98.55 C ATOM 982 CE1 TYR A 57 18.140 9.216 -2.891 1.00134.59 C ATOM 983 CE2 TYR A 57 19.070 9.164 -5.093 1.00109.80 C ATOM 984 CZ TYR A 57 18.508 9.866 -4.050 1.00127.99 C ATOM 985 OH TYR A 57 18.315 11.222 -4.163 1.00151.58 O ATOM 0 H TYR A 57 19.143 3.173 -3.595 1.00 92.07 H new ATOM 0 HA TYR A 57 17.168 5.065 -2.951 1.00 93.10 H new ATOM 0 HB2 TYR A 57 19.609 5.426 -2.733 1.00 97.74 H new ATOM 0 HB3 TYR A 57 19.805 5.302 -4.470 1.00 97.74 H new ATOM 0 HD1 TYR A 57 18.049 7.347 -1.870 1.00118.80 H new ATOM 0 HD2 TYR A 57 19.705 7.253 -5.797 1.00 98.55 H new ATOM 0 HE1 TYR A 57 17.699 9.769 -2.075 1.00134.59 H new ATOM 0 HE2 TYR A 57 19.357 9.677 -5.999 1.00109.80 H new ATOM 0 HH TYR A 57 17.912 11.565 -3.338 1.00151.58 H new ATOM 995 N MET A 58 17.597 4.595 -6.199 1.00 85.58 N ATOM 996 CA MET A 58 16.987 4.870 -7.503 1.00 88.65 C ATOM 997 C MET A 58 15.570 4.309 -7.635 1.00 92.75 C ATOM 998 O MET A 58 14.707 4.961 -8.220 1.00 94.75 O ATOM 999 CB MET A 58 17.874 4.351 -8.649 1.00 98.54 C ATOM 1000 CG MET A 58 18.123 2.848 -8.636 1.00121.45 C ATOM 1001 SD MET A 58 16.893 1.915 -9.574 1.00168.43 S ATOM 1002 CE MET A 58 17.429 2.213 -11.255 1.00126.04 C ATOM 0 H MET A 58 18.418 3.991 -6.234 1.00 85.58 H new ATOM 0 HA MET A 58 16.907 5.955 -7.575 1.00 88.65 H new ATOM 0 HB2 MET A 58 17.410 4.620 -9.598 1.00 98.54 H new ATOM 0 HB3 MET A 58 18.835 4.864 -8.607 1.00 98.54 H new ATOM 0 HG2 MET A 58 19.113 2.647 -9.046 1.00121.45 H new ATOM 0 HG3 MET A 58 18.128 2.496 -7.604 1.00121.45 H new ATOM 0 HE1 MET A 58 16.560 2.403 -11.885 1.00126.04 H new ATOM 0 HE2 MET A 58 18.091 3.079 -11.278 1.00126.04 H new ATOM 0 HE3 MET A 58 17.963 1.338 -11.627 1.00126.04 H new ATOM 1012 N GLN A 59 15.316 3.120 -7.089 1.00100.87 N ATOM 1013 CA GLN A 59 13.985 2.523 -7.197 1.00116.67 C ATOM 1014 C GLN A 59 12.963 3.255 -6.328 1.00119.74 C ATOM 1015 O GLN A 59 11.820 3.454 -6.743 1.00129.32 O ATOM 1016 CB GLN A 59 14.017 1.026 -6.851 1.00136.14 C ATOM 1017 CG GLN A 59 14.390 0.721 -5.407 1.00224.10 C ATOM 1018 CD GLN A 59 14.341 -0.761 -5.087 1.00331.95 C ATOM 1019 OE1 GLN A 59 14.287 -1.604 -5.984 1.00419.53 O ATOM 1020 NE2 GLN A 59 14.354 -1.087 -3.803 1.00530.56 N ATOM 0 H GLN A 59 15.999 2.561 -6.577 1.00100.87 H new ATOM 0 HA GLN A 59 13.671 2.627 -8.236 1.00116.67 H new ATOM 0 HB2 GLN A 59 13.037 0.597 -7.058 1.00136.14 H new ATOM 0 HB3 GLN A 59 14.729 0.529 -7.510 1.00136.14 H new ATOM 0 HG2 GLN A 59 15.393 1.098 -5.209 1.00224.10 H new ATOM 0 HG3 GLN A 59 13.712 1.254 -4.741 1.00224.10 H new ATOM 0 HE21 GLN A 59 14.399 -0.357 -3.092 1.00530.56 H new ATOM 0 HE22 GLN A 59 14.319 -2.068 -3.525 1.00530.56 H new ATOM 1029 N THR A 60 13.374 3.668 -5.130 1.00119.28 N ATOM 1030 CA THR A 60 12.475 4.377 -4.227 1.00133.33 C ATOM 1031 C THR A 60 12.227 5.813 -4.688 1.00123.04 C ATOM 1032 O THR A 60 11.097 6.302 -4.631 1.00131.40 O ATOM 1033 CB THR A 60 13.013 4.378 -2.781 1.00155.64 C ATOM 1034 OG1 THR A 60 14.347 4.902 -2.745 1.00210.19 O ATOM 1035 CG2 THR A 60 12.999 2.973 -2.195 1.00293.49 C ATOM 0 H THR A 60 14.316 3.525 -4.766 1.00119.28 H new ATOM 0 HA THR A 60 11.526 3.841 -4.246 1.00133.33 H new ATOM 0 HB THR A 60 12.361 5.013 -2.181 1.00155.64 H new ATOM 0 HG1 THR A 60 14.981 4.202 -3.007 1.00210.19 H new ATOM 0 HG21 THR A 60 13.383 3.000 -1.175 1.00293.49 H new ATOM 0 HG22 THR A 60 11.978 2.592 -2.188 1.00293.49 H new ATOM 0 HG23 THR A 60 13.626 2.320 -2.801 1.00293.49 H new ATOM 1043 N HIS A 61 13.284 6.479 -5.147 1.00113.35 N ATOM 1044 CA HIS A 61 13.177 7.856 -5.628 1.00115.98 C ATOM 1045 C HIS A 61 12.275 7.922 -6.862 1.00107.49 C ATOM 1046 O HIS A 61 11.399 8.784 -6.959 1.00114.22 O ATOM 1047 CB HIS A 61 14.574 8.410 -5.950 1.00122.87 C ATOM 1048 CG HIS A 61 14.619 9.891 -6.204 1.00131.92 C ATOM 1049 ND1 HIS A 61 15.720 10.547 -6.707 1.00275.05 N ATOM 1050 CD2 HIS A 61 13.674 10.847 -6.003 1.00279.92 C ATOM 1051 CE1 HIS A 61 15.418 11.850 -6.795 1.00359.22 C ATOM 1052 NE2 HIS A 61 14.188 12.084 -6.380 1.00383.72 N ATOM 0 H HIS A 61 14.225 6.088 -5.196 1.00113.35 H new ATOM 0 HA HIS A 61 12.730 8.469 -4.845 1.00115.98 H new ATOM 0 HB2 HIS A 61 15.242 8.177 -5.121 1.00122.87 H new ATOM 0 HB3 HIS A 61 14.962 7.893 -6.828 1.00122.87 H new ATOM 0 HD2 HIS A 61 12.682 10.674 -5.613 1.00279.92 H new ATOM 0 HE1 HIS A 61 16.094 12.610 -7.159 1.00359.22 H new ATOM 0 HE2 HIS A 61 13.712 12.985 -6.343 1.00383.72 H new ATOM 1060 N TRP A 62 12.498 6.998 -7.796 1.00103.09 N ATOM 1061 CA TRP A 62 11.717 6.940 -9.029 1.00108.22 C ATOM 1062 C TRP A 62 10.238 6.674 -8.750 1.00109.99 C ATOM 1063 O TRP A 62 9.369 7.360 -9.287 1.00109.87 O ATOM 1064 CB TRP A 62 12.280 5.860 -9.959 1.00127.48 C ATOM 1065 CG TRP A 62 11.553 5.751 -11.265 1.00133.67 C ATOM 1066 CD1 TRP A 62 10.773 4.714 -11.684 1.00247.58 C ATOM 1067 CD2 TRP A 62 11.533 6.721 -12.317 1.00179.60 C ATOM 1068 NE1 TRP A 62 10.273 4.977 -12.936 1.00312.83 N ATOM 1069 CE2 TRP A 62 10.724 6.205 -13.345 1.00226.72 C ATOM 1070 CE3 TRP A 62 12.121 7.977 -12.490 1.00343.23 C ATOM 1071 CZ2 TRP A 62 10.489 6.900 -14.528 1.00315.75 C ATOM 1072 CZ3 TRP A 62 11.886 8.666 -13.663 1.00497.00 C ATOM 1073 CH2 TRP A 62 11.077 8.127 -14.668 1.00423.30 C ATOM 0 H TRP A 62 13.216 6.277 -7.721 1.00103.09 H new ATOM 0 HA TRP A 62 11.793 7.912 -9.515 1.00108.22 H new ATOM 0 HB2 TRP A 62 13.331 6.073 -10.155 1.00127.48 H new ATOM 0 HB3 TRP A 62 12.240 4.897 -9.449 1.00127.48 H new ATOM 0 HD1 TRP A 62 10.577 3.817 -11.115 1.00247.58 H new ATOM 0 HE1 TRP A 62 9.665 4.359 -13.474 1.00312.83 H new ATOM 0 HE3 TRP A 62 12.748 8.401 -11.720 1.00343.23 H new ATOM 0 HZ2 TRP A 62 9.865 6.486 -15.306 1.00315.75 H new ATOM 0 HZ3 TRP A 62 12.335 9.638 -13.807 1.00497.00 H new ATOM 0 HH2 TRP A 62 10.913 8.691 -15.574 1.00423.30 H new ATOM 1084 N ALA A 63 9.961 5.681 -7.902 1.00122.59 N ATOM 1085 CA ALA A 63 8.584 5.322 -7.561 1.00140.54 C ATOM 1086 C ALA A 63 7.835 6.493 -6.929 1.00132.51 C ATOM 1087 O ALA A 63 6.660 6.712 -7.223 1.00138.48 O ATOM 1088 CB ALA A 63 8.558 4.114 -6.637 1.00177.00 C ATOM 0 H ALA A 63 10.671 5.113 -7.440 1.00122.59 H new ATOM 0 HA ALA A 63 8.074 5.065 -8.489 1.00140.54 H new ATOM 0 HB1 ALA A 63 7.525 3.863 -6.395 1.00177.00 H new ATOM 0 HB2 ALA A 63 9.031 3.266 -7.133 1.00177.00 H new ATOM 0 HB3 ALA A 63 9.099 4.346 -5.720 1.00177.00 H new ATOM 1094 N ASN A 64 8.516 7.234 -6.055 1.00130.71 N ATOM 1095 CA ASN A 64 7.905 8.386 -5.394 1.00142.85 C ATOM 1096 C ASN A 64 7.485 9.439 -6.421 1.00123.82 C ATOM 1097 O ASN A 64 6.372 9.964 -6.368 1.00135.07 O ATOM 1098 CB ASN A 64 8.883 8.999 -4.385 1.00164.43 C ATOM 1099 CG ASN A 64 8.274 10.149 -3.606 1.00265.68 C ATOM 1100 OD1 ASN A 64 7.269 9.984 -2.921 1.00385.44 O ATOM 1101 ND2 ASN A 64 8.885 11.324 -3.706 1.00478.76 N ATOM 0 H ASN A 64 9.485 7.058 -5.790 1.00130.71 H new ATOM 0 HA ASN A 64 7.016 8.044 -4.864 1.00142.85 H new ATOM 0 HB2 ASN A 64 9.212 8.227 -3.689 1.00164.43 H new ATOM 0 HB3 ASN A 64 9.770 9.351 -4.912 1.00164.43 H new ATOM 0 HD21 ASN A 64 8.521 12.133 -3.202 1.00478.76 H new ATOM 0 HD22 ASN A 64 9.718 11.418 -4.287 1.00478.76 H new ATOM 1108 N TYR A 65 8.388 9.744 -7.350 1.00107.76 N ATOM 1109 CA TYR A 65 8.114 10.717 -8.405 1.00105.48 C ATOM 1110 C TYR A 65 6.975 10.236 -9.308 1.00 96.64 C ATOM 1111 O TYR A 65 6.061 10.994 -9.637 1.00 99.98 O ATOM 1112 CB TYR A 65 9.378 10.975 -9.234 1.00113.05 C ATOM 1113 CG TYR A 65 9.192 12.006 -10.327 1.00145.73 C ATOM 1114 CD1 TYR A 65 9.096 13.358 -10.018 1.00232.85 C ATOM 1115 CD2 TYR A 65 9.116 11.633 -11.663 1.00235.47 C ATOM 1116 CE1 TYR A 65 8.930 14.306 -11.007 1.00386.18 C ATOM 1117 CE2 TYR A 65 8.950 12.577 -12.659 1.00391.55 C ATOM 1118 CZ TYR A 65 8.857 13.912 -12.324 1.00454.97 C ATOM 1119 OH TYR A 65 8.690 14.857 -13.312 1.00727.09 O ATOM 0 H TYR A 65 9.319 9.330 -7.394 1.00107.76 H new ATOM 0 HA TYR A 65 7.806 11.651 -7.935 1.00105.48 H new ATOM 0 HB2 TYR A 65 10.176 11.304 -8.569 1.00113.05 H new ATOM 0 HB3 TYR A 65 9.704 10.037 -9.684 1.00113.05 H new ATOM 0 HD1 TYR A 65 9.152 13.672 -8.986 1.00232.85 H new ATOM 0 HD2 TYR A 65 9.188 10.588 -11.928 1.00235.47 H new ATOM 0 HE1 TYR A 65 8.858 15.352 -10.749 1.00386.18 H new ATOM 0 HE2 TYR A 65 8.893 12.271 -13.693 1.00391.55 H new ATOM 0 HH TYR A 65 9.515 14.932 -13.836 1.00727.09 H new ATOM 1129 N MET A 66 7.064 8.965 -9.713 1.00100.31 N ATOM 1130 CA MET A 66 6.074 8.327 -10.587 1.00109.39 C ATOM 1131 C MET A 66 4.631 8.464 -10.103 1.00 98.69 C ATOM 1132 O MET A 66 3.710 8.294 -10.896 1.00 95.47 O ATOM 1133 CB MET A 66 6.400 6.846 -10.784 1.00145.18 C ATOM 1134 CG MET A 66 7.481 6.598 -11.822 1.00219.57 C ATOM 1135 SD MET A 66 7.039 7.242 -13.450 1.00467.34 S ATOM 1136 CE MET A 66 5.587 6.264 -13.828 1.00664.46 C ATOM 0 H MET A 66 7.829 8.347 -9.442 1.00100.31 H new ATOM 0 HA MET A 66 6.142 8.863 -11.534 1.00109.39 H new ATOM 0 HB2 MET A 66 6.718 6.422 -9.831 1.00145.18 H new ATOM 0 HB3 MET A 66 5.494 6.319 -11.081 1.00145.18 H new ATOM 0 HG2 MET A 66 8.410 7.062 -11.492 1.00219.57 H new ATOM 0 HG3 MET A 66 7.669 5.527 -11.897 1.00219.57 H new ATOM 0 HE1 MET A 66 5.368 6.335 -14.893 1.00664.46 H new ATOM 0 HE2 MET A 66 5.771 5.223 -13.564 1.00664.46 H new ATOM 0 HE3 MET A 66 4.737 6.639 -13.257 1.00664.46 H new ATOM 1146 N LEU A 67 4.421 8.756 -8.820 1.00106.10 N ATOM 1147 CA LEU A 67 3.061 8.890 -8.292 1.00116.66 C ATOM 1148 C LEU A 67 2.307 10.001 -9.024 1.00108.80 C ATOM 1149 O LEU A 67 1.141 9.839 -9.384 1.00118.57 O ATOM 1150 CB LEU A 67 3.105 9.206 -6.792 1.00148.14 C ATOM 1151 CG LEU A 67 3.572 8.060 -5.889 1.00211.08 C ATOM 1152 CD1 LEU A 67 3.831 8.568 -4.479 1.00447.74 C ATOM 1153 CD2 LEU A 67 2.539 6.945 -5.866 1.00275.63 C ATOM 0 H LEU A 67 5.162 8.903 -8.135 1.00106.10 H new ATOM 0 HA LEU A 67 2.540 7.945 -8.448 1.00116.66 H new ATOM 0 HB2 LEU A 67 3.766 10.059 -6.638 1.00148.14 H new ATOM 0 HB3 LEU A 67 2.109 9.513 -6.474 1.00148.14 H new ATOM 0 HG LEU A 67 4.503 7.661 -6.292 1.00211.08 H new ATOM 0 HD11 LEU A 67 4.162 7.742 -3.850 1.00447.74 H new ATOM 0 HD12 LEU A 67 4.604 9.336 -4.505 1.00447.74 H new ATOM 0 HD13 LEU A 67 2.913 8.990 -4.070 1.00447.74 H new ATOM 0 HD21 LEU A 67 2.887 6.139 -5.220 1.00275.63 H new ATOM 0 HD22 LEU A 67 1.594 7.332 -5.486 1.00275.63 H new ATOM 0 HD23 LEU A 67 2.394 6.563 -6.876 1.00275.63 H new ATOM 1165 N TRP A 68 2.985 11.122 -9.238 1.00106.53 N ATOM 1166 CA TRP A 68 2.407 12.261 -9.945 1.00124.45 C ATOM 1167 C TRP A 68 2.183 11.940 -11.428 1.00115.98 C ATOM 1168 O TRP A 68 1.123 12.222 -11.989 1.00137.68 O ATOM 1169 CB TRP A 68 3.331 13.476 -9.794 1.00141.87 C ATOM 1170 CG TRP A 68 2.833 14.717 -10.473 1.00235.50 C ATOM 1171 CD1 TRP A 68 1.583 15.264 -10.381 1.00490.24 C ATOM 1172 CD2 TRP A 68 3.582 15.573 -11.345 1.00400.41 C ATOM 1173 NE1 TRP A 68 1.511 16.404 -11.144 1.00738.82 N ATOM 1174 CE2 TRP A 68 2.725 16.614 -11.746 1.00651.44 C ATOM 1175 CE3 TRP A 68 4.895 15.557 -11.824 1.00657.26 C ATOM 1176 CZ2 TRP A 68 3.140 17.631 -12.604 1.00999.99 C ATOM 1177 CZ3 TRP A 68 5.306 16.567 -12.676 1.00999.99 C ATOM 1178 CH2 TRP A 68 4.431 17.590 -13.058 1.00999.99 C ATOM 0 H TRP A 68 3.946 11.268 -8.929 1.00106.53 H new ATOM 0 HA TRP A 68 1.435 12.486 -9.507 1.00124.45 H new ATOM 0 HB2 TRP A 68 3.466 13.686 -8.733 1.00141.87 H new ATOM 0 HB3 TRP A 68 4.312 13.224 -10.197 1.00141.87 H new ATOM 0 HD1 TRP A 68 0.772 14.859 -9.795 1.00490.24 H new ATOM 0 HE1 TRP A 68 0.688 16.998 -11.246 1.00738.82 H new ATOM 0 HE3 TRP A 68 5.576 14.771 -11.534 1.00657.26 H new ATOM 0 HZ2 TRP A 68 2.468 18.423 -12.900 1.00999.99 H new ATOM 0 HZ3 TRP A 68 6.318 16.566 -13.052 1.00999.99 H new ATOM 0 HH2 TRP A 68 4.781 18.364 -13.725 1.00999.99 H new ATOM 1189 N ILE A 69 3.197 11.334 -12.042 1.00100.14 N ATOM 1190 CA ILE A 69 3.171 10.986 -13.465 1.00109.34 C ATOM 1191 C ILE A 69 2.153 9.883 -13.789 1.00 98.52 C ATOM 1192 O ILE A 69 1.447 9.961 -14.799 1.00102.48 O ATOM 1193 CB ILE A 69 4.577 10.540 -13.939 1.00126.71 C ATOM 1194 CG1 ILE A 69 5.594 11.665 -13.722 1.00180.43 C ATOM 1195 CG2 ILE A 69 4.553 10.128 -15.407 1.00229.70 C ATOM 1196 CD1 ILE A 69 5.262 12.946 -14.464 1.00398.95 C ATOM 0 H ILE A 69 4.061 11.069 -11.569 1.00100.14 H new ATOM 0 HA ILE A 69 2.864 11.886 -13.997 1.00109.34 H new ATOM 0 HB ILE A 69 4.875 9.675 -13.347 1.00126.71 H new ATOM 0 HG12 ILE A 69 5.660 11.881 -12.656 1.00180.43 H new ATOM 0 HG13 ILE A 69 6.578 11.318 -14.038 1.00180.43 H new ATOM 0 HG21 ILE A 69 5.552 9.819 -15.715 1.00229.70 H new ATOM 0 HG22 ILE A 69 3.860 9.298 -15.541 1.00229.70 H new ATOM 0 HG23 ILE A 69 4.230 10.972 -16.017 1.00229.70 H new ATOM 0 HD11 ILE A 69 6.028 13.694 -14.260 1.00398.95 H new ATOM 0 HD12 ILE A 69 5.225 12.747 -15.535 1.00398.95 H new ATOM 0 HD13 ILE A 69 4.293 13.319 -14.131 1.00398.95 H new ATOM 1208 N ASN A 70 2.074 8.871 -12.927 1.00 98.70 N ATOM 1209 CA ASN A 70 1.171 7.734 -13.136 1.00108.34 C ATOM 1210 C ASN A 70 -0.288 8.171 -13.231 1.00120.06 C ATOM 1211 O ASN A 70 -1.046 7.633 -14.040 1.00131.59 O ATOM 1212 CB ASN A 70 1.326 6.710 -12.010 1.00133.91 C ATOM 1213 CG ASN A 70 0.616 5.405 -12.316 1.00223.62 C ATOM 1214 OD1 ASN A 70 0.802 4.821 -13.382 1.00293.89 O ATOM 1215 ND2 ASN A 70 -0.205 4.943 -11.382 1.00366.97 N ATOM 0 H ASN A 70 2.627 8.813 -12.072 1.00 98.70 H new ATOM 0 HA ASN A 70 1.449 7.278 -14.086 1.00108.34 H new ATOM 0 HB2 ASN A 70 2.385 6.514 -11.843 1.00133.91 H new ATOM 0 HB3 ASN A 70 0.930 7.128 -11.085 1.00133.91 H new ATOM 0 HD21 ASN A 70 -0.711 4.071 -11.534 1.00366.97 H new ATOM 0 HD22 ASN A 70 -0.330 5.460 -10.512 1.00366.97 H new ATOM 1222 N LYS A 71 -0.680 9.142 -12.407 1.00128.99 N ATOM 1223 CA LYS A 71 -2.057 9.629 -12.418 1.00158.88 C ATOM 1224 C LYS A 71 -2.420 10.210 -13.783 1.00165.29 C ATOM 1225 O LYS A 71 -3.513 9.966 -14.296 1.00199.45 O ATOM 1226 CB LYS A 71 -2.258 10.697 -11.340 1.00176.32 C ATOM 1227 CG LYS A 71 -2.224 10.159 -9.917 1.00189.37 C ATOM 1228 CD LYS A 71 -2.425 11.271 -8.901 1.00297.71 C ATOM 1229 CE LYS A 71 -2.386 10.742 -7.476 1.00468.76 C ATOM 1230 NZ LYS A 71 -3.491 9.779 -7.211 1.00709.01 N1+ ATOM 0 H LYS A 71 -0.071 9.602 -11.731 1.00128.99 H new ATOM 0 HA LYS A 71 -2.710 8.781 -12.211 1.00158.88 H new ATOM 0 HB2 LYS A 71 -1.484 11.457 -11.448 1.00176.32 H new ATOM 0 HB3 LYS A 71 -3.215 11.191 -11.507 1.00176.32 H new ATOM 0 HG2 LYS A 71 -3.001 9.405 -9.792 1.00189.37 H new ATOM 0 HG3 LYS A 71 -1.269 9.666 -9.735 1.00189.37 H new ATOM 0 HD2 LYS A 71 -1.650 12.027 -9.030 1.00297.71 H new ATOM 0 HD3 LYS A 71 -3.382 11.761 -9.082 1.00297.71 H new ATOM 0 HE2 LYS A 71 -1.428 10.254 -7.296 1.00468.76 H new ATOM 0 HE3 LYS A 71 -2.455 11.576 -6.777 1.00468.76 H new ATOM 0 HZ1 LYS A 71 -3.567 9.611 -6.188 1.00709.01 H new ATOM 0 HZ2 LYS A 71 -4.386 10.172 -7.565 1.00709.01 H new ATOM 0 HZ3 LYS A 71 -3.292 8.881 -7.696 1.00709.01 H new ATOM 1244 N LYS A 72 -1.499 10.971 -14.369 1.00147.67 N ATOM 1245 CA LYS A 72 -1.729 11.574 -15.680 1.00167.79 C ATOM 1246 C LYS A 72 -1.782 10.519 -16.784 1.00155.98 C ATOM 1247 O LYS A 72 -2.632 10.586 -17.670 1.00185.51 O ATOM 1248 CB LYS A 72 -0.636 12.598 -15.994 1.00170.64 C ATOM 1249 CG LYS A 72 -0.704 13.847 -15.129 1.00316.84 C ATOM 1250 CD LYS A 72 0.398 14.830 -15.483 1.00381.24 C ATOM 1251 CE LYS A 72 0.331 16.078 -14.615 1.00594.12 C ATOM 1252 NZ LYS A 72 -0.936 16.832 -14.828 1.00931.14 N1+ ATOM 0 H LYS A 72 -0.590 11.184 -13.959 1.00147.67 H new ATOM 0 HA LYS A 72 -2.696 12.075 -15.645 1.00167.79 H new ATOM 0 HB2 LYS A 72 0.339 12.128 -15.863 1.00170.64 H new ATOM 0 HB3 LYS A 72 -0.712 12.888 -17.042 1.00170.64 H new ATOM 0 HG2 LYS A 72 -1.675 14.326 -15.256 1.00316.84 H new ATOM 0 HG3 LYS A 72 -0.621 13.568 -14.079 1.00316.84 H new ATOM 0 HD2 LYS A 72 1.369 14.350 -15.358 1.00381.24 H new ATOM 0 HD3 LYS A 72 0.313 15.111 -16.533 1.00381.24 H new ATOM 0 HE2 LYS A 72 0.414 15.796 -13.565 1.00594.12 H new ATOM 0 HE3 LYS A 72 1.180 16.723 -14.840 1.00594.12 H new ATOM 0 HZ1 LYS A 72 -0.856 17.775 -14.397 1.00931.14 H new ATOM 0 HZ2 LYS A 72 -1.113 16.932 -15.848 1.00931.14 H new ATOM 0 HZ3 LYS A 72 -1.725 16.316 -14.388 1.00931.14 H new ATOM 1266 N ILE A 73 -0.875 9.542 -16.719 1.00124.40 N ATOM 1267 CA ILE A 73 -0.822 8.477 -17.723 1.00120.21 C ATOM 1268 C ILE A 73 -2.097 7.633 -17.705 1.00146.29 C ATOM 1269 O ILE A 73 -2.697 7.376 -18.751 1.00164.56 O ATOM 1270 CB ILE A 73 0.407 7.560 -17.508 1.00101.39 C ATOM 1271 CG1 ILE A 73 1.699 8.333 -17.792 1.00 92.06 C ATOM 1272 CG2 ILE A 73 0.329 6.322 -18.397 1.00111.59 C ATOM 1273 CD1 ILE A 73 2.951 7.596 -17.366 1.00175.26 C ATOM 0 H ILE A 73 -0.170 9.466 -15.985 1.00124.40 H new ATOM 0 HA ILE A 73 -0.733 8.962 -18.695 1.00120.21 H new ATOM 0 HB ILE A 73 0.409 7.233 -16.468 1.00101.39 H new ATOM 0 HG12 ILE A 73 1.758 8.546 -18.859 1.00 92.06 H new ATOM 0 HG13 ILE A 73 1.659 9.293 -17.277 1.00 92.06 H new ATOM 0 HG21 ILE A 73 1.204 5.695 -18.226 1.00111.59 H new ATOM 0 HG22 ILE A 73 -0.573 5.759 -18.158 1.00111.59 H new ATOM 0 HG23 ILE A 73 0.300 6.627 -19.443 1.00111.59 H new ATOM 0 HD11 ILE A 73 3.827 8.202 -17.597 1.00175.26 H new ATOM 0 HD12 ILE A 73 2.914 7.406 -16.293 1.00175.26 H new ATOM 0 HD13 ILE A 73 3.015 6.648 -17.900 1.00175.26 H new ATOM 1285 N ASP A 74 -2.510 7.216 -16.509 1.00158.55 N ATOM 1286 CA ASP A 74 -3.713 6.400 -16.357 1.00202.00 C ATOM 1287 C ASP A 74 -4.961 7.155 -16.804 1.00242.74 C ATOM 1288 O ASP A 74 -5.850 6.576 -17.425 1.00281.70 O ATOM 1289 CB ASP A 74 -3.871 5.929 -14.908 1.00220.79 C ATOM 1290 CG ASP A 74 -2.873 4.849 -14.532 1.00329.98 C ATOM 1291 OD1 ASP A 74 -2.260 4.257 -15.448 1.00443.19 O ATOM 1292 OD2 ASP A 74 -2.704 4.593 -13.322 1.00427.10 O1- ATOM 0 H ASP A 74 -2.031 7.429 -15.634 1.00158.55 H new ATOM 0 HA ASP A 74 -3.598 5.527 -17.000 1.00202.00 H new ATOM 0 HB2 ASP A 74 -3.749 6.780 -14.238 1.00220.79 H new ATOM 0 HB3 ASP A 74 -4.883 5.550 -14.761 1.00220.79 H new ATOM 1297 N ALA A 75 -5.029 8.443 -16.468 1.00246.88 N ATOM 1298 CA ALA A 75 -6.170 9.273 -16.849 1.00303.14 C ATOM 1299 C ALA A 75 -6.272 9.423 -18.367 1.00309.74 C ATOM 1300 O ALA A 75 -7.367 9.394 -18.927 1.00366.44 O ATOM 1301 CB ALA A 75 -6.075 10.639 -16.185 1.00317.77 C ATOM 0 H ALA A 75 -4.310 8.932 -15.935 1.00246.88 H new ATOM 0 HA ALA A 75 -7.076 8.774 -16.504 1.00303.14 H new ATOM 0 HB1 ALA A 75 -6.931 11.246 -16.478 1.00317.77 H new ATOM 0 HB2 ALA A 75 -6.070 10.517 -15.102 1.00317.77 H new ATOM 0 HB3 ALA A 75 -5.156 11.133 -16.499 1.00317.77 H new ATOM 1307 N LEU A 76 -5.124 9.599 -19.026 1.00262.22 N ATOM 1308 CA LEU A 76 -5.088 9.740 -20.481 1.00269.91 C ATOM 1309 C LEU A 76 -5.445 8.427 -21.174 1.00268.22 C ATOM 1310 O LEU A 76 -6.148 8.418 -22.183 1.00302.70 O ATOM 1311 CB LEU A 76 -3.705 10.211 -20.943 1.00232.17 C ATOM 1312 CG LEU A 76 -3.344 11.651 -20.567 1.00295.01 C ATOM 1313 CD1 LEU A 76 -1.881 11.930 -20.875 1.00354.50 C ATOM 1314 CD2 LEU A 76 -4.241 12.637 -21.299 1.00386.93 C ATOM 0 H LEU A 76 -4.210 9.647 -18.575 1.00262.22 H new ATOM 0 HA LEU A 76 -5.831 10.488 -20.757 1.00269.91 H new ATOM 0 HB2 LEU A 76 -2.953 9.544 -20.522 1.00232.17 H new ATOM 0 HB3 LEU A 76 -3.649 10.111 -22.027 1.00232.17 H new ATOM 0 HG LEU A 76 -3.501 11.776 -19.496 1.00295.01 H new ATOM 0 HD11 LEU A 76 -1.641 12.958 -20.602 1.00354.50 H new ATOM 0 HD12 LEU A 76 -1.252 11.247 -20.304 1.00354.50 H new ATOM 0 HD13 LEU A 76 -1.700 11.786 -21.940 1.00354.50 H new ATOM 0 HD21 LEU A 76 -3.969 13.654 -21.018 1.00386.93 H new ATOM 0 HD22 LEU A 76 -4.117 12.512 -22.375 1.00386.93 H new ATOM 0 HD23 LEU A 76 -5.281 12.452 -21.029 1.00386.93 H new ATOM 1326 N GLY A 77 -4.943 7.322 -20.628 1.00237.46 N ATOM 1327 CA GLY A 77 -5.214 6.014 -21.202 1.00244.67 C ATOM 1328 C GLY A 77 -4.185 5.603 -22.240 1.00214.25 C ATOM 1329 O GLY A 77 -4.186 4.463 -22.706 1.00215.50 O ATOM 0 H GLY A 77 -4.352 7.309 -19.797 1.00237.46 H new ATOM 0 HA2 GLY A 77 -5.237 5.270 -20.405 1.00244.67 H new ATOM 0 HA3 GLY A 77 -6.203 6.021 -21.660 1.00244.67 H new ATOM 1333 N ARG A 78 -3.309 6.535 -22.602 1.00197.65 N ATOM 1334 CA ARG A 78 -2.267 6.276 -23.591 1.00177.49 C ATOM 1335 C ARG A 78 -1.152 5.414 -23.001 1.00145.33 C ATOM 1336 O ARG A 78 -0.829 5.530 -21.819 1.00130.99 O ATOM 1337 CB ARG A 78 -1.685 7.594 -24.110 1.00186.05 C ATOM 1338 CG ARG A 78 -2.707 8.486 -24.802 1.00259.99 C ATOM 1339 CD ARG A 78 -3.195 7.872 -26.105 1.00444.33 C ATOM 1340 NE ARG A 78 -4.065 8.784 -26.843 1.00529.49 N ATOM 1341 CZ ARG A 78 -4.658 8.471 -27.993 1.00845.06 C ATOM 1342 NH1 ARG A 78 -4.476 7.272 -28.531 1.00999.99 N1+ ATOM 1343 NH2 ARG A 78 -5.432 9.360 -28.602 1.00999.99 N ATOM 0 H ARG A 78 -3.300 7.482 -22.223 1.00197.65 H new ATOM 0 HA ARG A 78 -2.720 5.734 -24.421 1.00177.49 H new ATOM 0 HB2 ARG A 78 -1.246 8.140 -23.275 1.00186.05 H new ATOM 0 HB3 ARG A 78 -0.877 7.374 -24.808 1.00186.05 H new ATOM 0 HG2 ARG A 78 -3.555 8.652 -24.137 1.00259.99 H new ATOM 0 HG3 ARG A 78 -2.263 9.461 -25.002 1.00259.99 H new ATOM 0 HD2 ARG A 78 -2.338 7.606 -26.724 1.00444.33 H new ATOM 0 HD3 ARG A 78 -3.734 6.949 -25.892 1.00444.33 H new ATOM 0 HE ARG A 78 -4.227 9.713 -26.455 1.00529.49 H new ATOM 0 HH11 ARG A 78 -3.881 6.588 -28.063 1.00999.99 H new ATOM 0 HH12 ARG A 78 -4.931 7.034 -29.412 1.00999.99 H new ATOM 0 HH21 ARG A 78 -5.572 10.282 -28.189 1.00999.99 H new ATOM 0 HH22 ARG A 78 -5.887 9.121 -29.483 1.00999.99 H new ATOM 1357 N THR A 79 -0.569 4.552 -23.829 1.00147.30 N ATOM 1358 CA THR A 79 0.511 3.680 -23.385 1.00129.07 C ATOM 1359 C THR A 79 1.799 4.477 -23.165 1.00107.84 C ATOM 1360 O THR A 79 2.131 5.351 -23.968 1.00121.55 O ATOM 1361 CB THR A 79 0.776 2.562 -24.412 1.00153.24 C ATOM 1362 OG1 THR A 79 1.179 3.134 -25.664 1.00174.15 O ATOM 1363 CG2 THR A 79 -0.466 1.710 -24.622 1.00263.29 C ATOM 0 H THR A 79 -0.827 4.440 -24.809 1.00147.30 H new ATOM 0 HA THR A 79 0.200 3.231 -22.442 1.00129.07 H new ATOM 0 HB THR A 79 1.573 1.927 -24.024 1.00153.24 H new ATOM 0 HG1 THR A 79 1.347 2.418 -26.312 1.00174.15 H new ATOM 0 HG21 THR A 79 -0.252 0.929 -25.351 1.00263.29 H new ATOM 0 HG22 THR A 79 -0.758 1.254 -23.676 1.00263.29 H new ATOM 0 HG23 THR A 79 -1.279 2.336 -24.989 1.00263.29 H new ATOM 1371 N PRO A 80 2.540 4.188 -22.076 1.00105.89 N ATOM 1372 CA PRO A 80 3.803 4.882 -21.770 1.00 99.27 C ATOM 1373 C PRO A 80 4.866 4.685 -22.852 1.00 71.39 C ATOM 1374 O PRO A 80 5.075 3.570 -23.334 1.00 73.88 O ATOM 1375 CB PRO A 80 4.261 4.225 -20.461 1.00135.47 C ATOM 1376 CG PRO A 80 3.021 3.647 -19.873 1.00173.89 C ATOM 1377 CD PRO A 80 2.203 3.189 -21.043 1.00146.19 C ATOM 0 HA PRO A 80 3.660 5.961 -21.705 1.00 99.27 H new ATOM 0 HB2 PRO A 80 5.008 3.453 -20.646 1.00135.47 H new ATOM 0 HB3 PRO A 80 4.715 4.954 -19.790 1.00135.47 H new ATOM 0 HG2 PRO A 80 3.252 2.817 -19.206 1.00173.89 H new ATOM 0 HG3 PRO A 80 2.483 4.389 -19.283 1.00173.89 H new ATOM 0 HD2 PRO A 80 2.468 2.178 -21.353 1.00146.19 H new ATOM 0 HD3 PRO A 80 1.137 3.183 -20.816 1.00146.19 H new ATOM 1385 N VAL A 81 5.539 5.768 -23.225 1.00 74.50 N ATOM 1386 CA VAL A 81 6.593 5.702 -24.230 1.00 73.51 C ATOM 1387 C VAL A 81 7.973 5.783 -23.559 1.00 58.31 C ATOM 1388 O VAL A 81 8.119 6.399 -22.501 1.00 53.72 O ATOM 1389 CB VAL A 81 6.425 6.816 -25.296 1.00118.66 C ATOM 1390 CG1 VAL A 81 6.623 8.197 -24.691 1.00201.66 C ATOM 1391 CG2 VAL A 81 7.367 6.600 -26.474 1.00126.19 C ATOM 0 H VAL A 81 5.374 6.701 -22.847 1.00 74.50 H new ATOM 0 HA VAL A 81 6.515 4.744 -24.745 1.00 73.51 H new ATOM 0 HB VAL A 81 5.402 6.759 -25.669 1.00118.66 H new ATOM 0 HG11 VAL A 81 6.498 8.954 -25.465 1.00201.66 H new ATOM 0 HG12 VAL A 81 5.887 8.358 -23.904 1.00201.66 H new ATOM 0 HG13 VAL A 81 7.626 8.270 -24.270 1.00201.66 H new ATOM 0 HG21 VAL A 81 7.225 7.397 -27.204 1.00126.19 H new ATOM 0 HG22 VAL A 81 8.398 6.610 -26.122 1.00126.19 H new ATOM 0 HG23 VAL A 81 7.152 5.638 -26.940 1.00126.19 H new ATOM 1401 N VAL A 82 8.977 5.160 -24.180 1.00 61.16 N ATOM 1402 CA VAL A 82 10.338 5.149 -23.641 1.00 54.41 C ATOM 1403 C VAL A 82 10.937 6.560 -23.565 1.00 57.95 C ATOM 1404 O VAL A 82 11.573 6.912 -22.571 1.00 54.39 O ATOM 1405 CB VAL A 82 11.265 4.237 -24.484 1.00 69.04 C ATOM 1406 CG1 VAL A 82 12.721 4.373 -24.055 1.00 67.92 C ATOM 1407 CG2 VAL A 82 10.820 2.788 -24.383 1.00 81.09 C ATOM 0 H VAL A 82 8.872 4.655 -25.060 1.00 61.16 H new ATOM 0 HA VAL A 82 10.269 4.752 -22.628 1.00 54.41 H new ATOM 0 HB VAL A 82 11.190 4.559 -25.523 1.00 69.04 H new ATOM 0 HG11 VAL A 82 13.343 3.720 -24.667 1.00 67.92 H new ATOM 0 HG12 VAL A 82 13.043 5.406 -24.184 1.00 67.92 H new ATOM 0 HG13 VAL A 82 12.819 4.090 -23.007 1.00 67.92 H new ATOM 0 HG21 VAL A 82 11.482 2.162 -24.981 1.00 81.09 H new ATOM 0 HG22 VAL A 82 10.859 2.467 -23.342 1.00 81.09 H new ATOM 0 HG23 VAL A 82 9.799 2.694 -24.753 1.00 81.09 H new ATOM 1417 N GLY A 83 10.717 7.365 -24.606 1.00 75.64 N ATOM 1418 CA GLY A 83 11.272 8.712 -24.641 1.00 94.40 C ATOM 1419 C GLY A 83 10.817 9.586 -23.485 1.00 94.83 C ATOM 1420 O GLY A 83 11.626 10.302 -22.893 1.00106.63 O ATOM 0 H GLY A 83 10.165 7.109 -25.425 1.00 75.64 H new ATOM 0 HA2 GLY A 83 12.360 8.648 -24.631 1.00 94.40 H new ATOM 0 HA3 GLY A 83 10.989 9.189 -25.580 1.00 94.40 H new ATOM 1424 N ASP A 84 9.529 9.528 -23.154 1.00 92.18 N ATOM 1425 CA ASP A 84 8.994 10.316 -22.044 1.00102.40 C ATOM 1426 C ASP A 84 9.622 9.875 -20.727 1.00 86.66 C ATOM 1427 O ASP A 84 9.991 10.700 -19.893 1.00 97.33 O ATOM 1428 CB ASP A 84 7.471 10.182 -21.959 1.00115.37 C ATOM 1429 CG ASP A 84 6.871 11.068 -20.886 1.00251.00 C ATOM 1430 OD1 ASP A 84 6.928 12.306 -21.040 1.00343.77 O ATOM 1431 OD2 ASP A 84 6.340 10.523 -19.897 1.00397.23 O1- ATOM 0 H ASP A 84 8.840 8.949 -23.634 1.00 92.18 H new ATOM 0 HA ASP A 84 9.242 11.362 -22.227 1.00102.40 H new ATOM 0 HB2 ASP A 84 7.032 10.437 -22.924 1.00115.37 H new ATOM 0 HB3 ASP A 84 7.211 9.143 -21.755 1.00115.37 H new ATOM 1436 N TYR A 85 9.737 8.560 -20.558 1.00 69.93 N ATOM 1437 CA TYR A 85 10.317 7.982 -19.351 1.00 64.74 C ATOM 1438 C TYR A 85 11.790 8.351 -19.198 1.00 62.43 C ATOM 1439 O TYR A 85 12.243 8.659 -18.094 1.00 66.14 O ATOM 1440 CB TYR A 85 10.152 6.459 -19.365 1.00 61.79 C ATOM 1441 CG TYR A 85 8.844 5.968 -18.772 1.00 59.01 C ATOM 1442 CD1 TYR A 85 7.796 6.843 -18.502 1.00112.09 C ATOM 1443 CD2 TYR A 85 8.665 4.622 -18.472 1.00109.27 C ATOM 1444 CE1 TYR A 85 6.612 6.390 -17.953 1.00147.96 C ATOM 1445 CE2 TYR A 85 7.482 4.164 -17.924 1.00132.22 C ATOM 1446 CZ TYR A 85 6.461 5.051 -17.667 1.00117.15 C ATOM 1447 OH TYR A 85 5.283 4.597 -17.118 1.00176.41 O ATOM 0 H TYR A 85 9.434 7.872 -21.247 1.00 69.93 H new ATOM 0 HA TYR A 85 9.783 8.396 -18.496 1.00 64.74 H new ATOM 0 HB2 TYR A 85 10.226 6.106 -20.394 1.00 61.79 H new ATOM 0 HB3 TYR A 85 10.979 6.010 -18.814 1.00 61.79 H new ATOM 0 HD1 TYR A 85 7.910 7.893 -18.725 1.00112.09 H new ATOM 0 HD2 TYR A 85 9.464 3.923 -18.671 1.00109.27 H new ATOM 0 HE1 TYR A 85 5.809 7.082 -17.749 1.00147.96 H new ATOM 0 HE2 TYR A 85 7.359 3.115 -17.698 1.00132.22 H new ATOM 0 HH TYR A 85 5.339 3.629 -16.979 1.00176.41 H new ATOM 1457 N THR A 86 12.541 8.328 -20.302 1.00 61.53 N ATOM 1458 CA THR A 86 13.962 8.671 -20.254 1.00 68.56 C ATOM 1459 C THR A 86 14.165 10.150 -19.938 1.00 71.75 C ATOM 1460 O THR A 86 15.112 10.513 -19.236 1.00 78.21 O ATOM 1461 CB THR A 86 14.693 8.314 -21.567 1.00 77.74 C ATOM 1462 OG1 THR A 86 14.077 8.967 -22.686 1.00165.16 O ATOM 1463 CG2 THR A 86 14.694 6.810 -21.792 1.00224.32 C ATOM 0 H THR A 86 12.194 8.079 -21.228 1.00 61.53 H new ATOM 0 HA THR A 86 14.395 8.073 -19.452 1.00 68.56 H new ATOM 0 HB THR A 86 15.723 8.660 -21.478 1.00 77.74 H new ATOM 0 HG1 THR A 86 13.225 9.362 -22.406 1.00165.16 H new ATOM 0 HG21 THR A 86 15.214 6.582 -22.722 1.00224.32 H new ATOM 0 HG22 THR A 86 15.202 6.318 -20.962 1.00224.32 H new ATOM 0 HG23 THR A 86 13.667 6.451 -21.853 1.00224.32 H new ATOM 1471 N ARG A 87 13.280 11.001 -20.457 1.00 72.61 N ATOM 1472 CA ARG A 87 13.355 12.436 -20.197 1.00 82.36 C ATOM 1473 C ARG A 87 13.174 12.697 -18.704 1.00 77.36 C ATOM 1474 O ARG A 87 13.921 13.467 -18.094 1.00 84.58 O ATOM 1475 CB ARG A 87 12.282 13.180 -21.005 1.00 92.09 C ATOM 1476 CG ARG A 87 12.274 14.686 -20.787 1.00178.45 C ATOM 1477 CD ARG A 87 13.562 15.332 -21.277 1.00290.74 C ATOM 1478 NE ARG A 87 13.555 16.782 -21.088 1.00442.12 N ATOM 1479 CZ ARG A 87 13.030 17.641 -21.959 1.00719.49 C ATOM 1480 NH1 ARG A 87 12.483 17.199 -23.086 1.00915.94 N1+ ATOM 1481 NH2 ARG A 87 13.055 18.942 -21.703 1.00999.99 N ATOM 0 H ARG A 87 12.505 10.721 -21.058 1.00 72.61 H new ATOM 0 HA ARG A 87 14.333 12.804 -20.505 1.00 82.36 H new ATOM 0 HB2 ARG A 87 12.435 12.978 -22.065 1.00 92.09 H new ATOM 0 HB3 ARG A 87 11.302 12.780 -20.743 1.00 92.09 H new ATOM 0 HG2 ARG A 87 11.425 15.125 -21.310 1.00178.45 H new ATOM 0 HG3 ARG A 87 12.140 14.900 -19.727 1.00178.45 H new ATOM 0 HD2 ARG A 87 14.409 14.901 -20.743 1.00290.74 H new ATOM 0 HD3 ARG A 87 13.702 15.105 -22.334 1.00290.74 H new ATOM 0 HE ARG A 87 13.977 17.157 -20.239 1.00442.12 H new ATOM 0 HH11 ARG A 87 12.464 16.199 -23.286 1.00915.94 H new ATOM 0 HH12 ARG A 87 12.082 17.860 -23.751 1.00915.94 H new ATOM 0 HH21 ARG A 87 13.476 19.284 -20.839 1.00999.99 H new ATOM 0 HH22 ARG A 87 12.653 19.601 -22.370 1.00999.99 H new ATOM 1495 N LEU A 88 12.170 12.039 -18.126 1.00 69.60 N ATOM 1496 CA LEU A 88 11.881 12.162 -16.701 1.00 69.42 C ATOM 1497 C LEU A 88 13.023 11.581 -15.871 1.00 63.28 C ATOM 1498 O LEU A 88 13.400 12.133 -14.836 1.00 65.18 O ATOM 1499 CB LEU A 88 10.573 11.441 -16.364 1.00 73.41 C ATOM 1500 CG LEU A 88 9.308 12.072 -16.949 1.00 98.67 C ATOM 1501 CD1 LEU A 88 8.105 11.173 -16.714 1.00158.17 C ATOM 1502 CD2 LEU A 88 9.070 13.453 -16.355 1.00124.36 C ATOM 0 H LEU A 88 11.541 11.412 -18.628 1.00 69.60 H new ATOM 0 HA LEU A 88 11.777 13.220 -16.460 1.00 69.42 H new ATOM 0 HB2 LEU A 88 10.643 10.412 -16.718 1.00 73.41 H new ATOM 0 HB3 LEU A 88 10.470 11.399 -15.280 1.00 73.41 H new ATOM 0 HG LEU A 88 9.448 12.184 -18.024 1.00 98.67 H new ATOM 0 HD11 LEU A 88 7.215 11.638 -17.137 1.00158.17 H new ATOM 0 HD12 LEU A 88 8.273 10.208 -17.193 1.00158.17 H new ATOM 0 HD13 LEU A 88 7.964 11.027 -15.643 1.00158.17 H new ATOM 0 HD21 LEU A 88 8.165 13.883 -16.785 1.00124.36 H new ATOM 0 HD22 LEU A 88 8.954 13.369 -15.274 1.00124.36 H new ATOM 0 HD23 LEU A 88 9.920 14.097 -16.579 1.00124.36 H new ATOM 1514 N GLY A 89 13.566 10.457 -16.343 1.00 60.76 N ATOM 1515 CA GLY A 89 14.667 9.795 -15.659 1.00 61.97 C ATOM 1516 C GLY A 89 15.907 10.661 -15.569 1.00 64.68 C ATOM 1517 O GLY A 89 16.594 10.663 -14.547 1.00 65.71 O ATOM 0 H GLY A 89 13.258 9.990 -17.196 1.00 60.76 H new ATOM 0 HA2 GLY A 89 14.350 9.517 -14.654 1.00 61.97 H new ATOM 0 HA3 GLY A 89 14.912 8.871 -16.183 1.00 61.97 H new ATOM 1521 N ALA A 90 16.199 11.392 -16.644 1.00 70.37 N ATOM 1522 CA ALA A 90 17.360 12.275 -16.683 1.00 80.19 C ATOM 1523 C ALA A 90 17.262 13.354 -15.608 1.00 77.58 C ATOM 1524 O ALA A 90 18.253 13.685 -14.960 1.00 81.65 O ATOM 1525 CB ALA A 90 17.498 12.909 -18.059 1.00 95.38 C ATOM 0 H ALA A 90 15.645 11.389 -17.500 1.00 70.37 H new ATOM 0 HA ALA A 90 18.248 11.676 -16.483 1.00 80.19 H new ATOM 0 HB1 ALA A 90 18.369 13.565 -18.072 1.00 95.38 H new ATOM 0 HB2 ALA A 90 17.621 12.128 -18.809 1.00 95.38 H new ATOM 0 HB3 ALA A 90 16.603 13.489 -18.284 1.00 95.38 H new ATOM 1531 N GLU A 91 16.058 13.894 -15.426 1.00 75.77 N ATOM 1532 CA GLU A 91 15.822 14.928 -14.420 1.00 80.24 C ATOM 1533 C GLU A 91 16.027 14.364 -13.013 1.00 71.29 C ATOM 1534 O GLU A 91 16.596 15.020 -12.141 1.00 75.09 O ATOM 1535 CB GLU A 91 14.401 15.481 -14.553 1.00 90.01 C ATOM 1536 CG GLU A 91 14.179 16.311 -15.808 1.00140.26 C ATOM 1537 CD GLU A 91 12.720 16.675 -16.019 1.00229.56 C ATOM 1538 OE1 GLU A 91 11.853 16.060 -15.361 1.00365.35 O ATOM 1539 OE2 GLU A 91 12.447 17.577 -16.837 1.00381.14 O1- ATOM 0 H GLU A 91 15.231 13.633 -15.962 1.00 75.77 H new ATOM 0 HA GLU A 91 16.536 15.735 -14.583 1.00 80.24 H new ATOM 0 HB2 GLU A 91 13.696 14.650 -14.549 1.00 90.01 H new ATOM 0 HB3 GLU A 91 14.176 16.093 -13.680 1.00 90.01 H new ATOM 0 HG2 GLU A 91 14.771 17.224 -15.745 1.00140.26 H new ATOM 0 HG3 GLU A 91 14.540 15.756 -16.674 1.00140.26 H new ATOM 1546 N ILE A 92 15.550 13.136 -12.813 1.00 64.55 N ATOM 1547 CA ILE A 92 15.670 12.445 -11.532 1.00 63.22 C ATOM 1548 C ILE A 92 17.134 12.148 -11.198 1.00 60.78 C ATOM 1549 O ILE A 92 17.569 12.320 -10.058 1.00 63.24 O ATOM 1550 CB ILE A 92 14.849 11.132 -11.534 1.00 67.09 C ATOM 1551 CG1 ILE A 92 13.355 11.447 -11.660 1.00 78.70 C ATOM 1552 CG2 ILE A 92 15.112 10.306 -10.280 1.00 74.04 C ATOM 1553 CD1 ILE A 92 12.818 12.310 -10.535 1.00182.12 C ATOM 0 H ILE A 92 15.071 12.594 -13.533 1.00 64.55 H new ATOM 0 HA ILE A 92 15.270 13.107 -10.764 1.00 63.22 H new ATOM 0 HB ILE A 92 15.165 10.540 -12.393 1.00 67.09 H new ATOM 0 HG12 ILE A 92 13.178 11.952 -12.610 1.00 78.70 H new ATOM 0 HG13 ILE A 92 12.796 10.511 -11.687 1.00 78.70 H new ATOM 0 HG21 ILE A 92 14.519 9.392 -10.315 1.00 74.04 H new ATOM 0 HG22 ILE A 92 16.170 10.050 -10.228 1.00 74.04 H new ATOM 0 HG23 ILE A 92 14.835 10.884 -9.399 1.00 74.04 H new ATOM 0 HD11 ILE A 92 11.755 12.491 -10.691 1.00182.12 H new ATOM 0 HD12 ILE A 92 12.963 11.799 -9.583 1.00182.12 H new ATOM 0 HD13 ILE A 92 13.350 13.261 -10.520 1.00182.12 H new ATOM 1565 N GLY A 93 17.886 11.718 -12.210 1.00 61.35 N ATOM 1566 CA GLY A 93 19.293 11.387 -12.028 1.00 68.83 C ATOM 1567 C GLY A 93 20.157 12.579 -11.639 1.00 77.90 C ATOM 1568 O GLY A 93 21.277 12.402 -11.163 1.00 88.80 O ATOM 0 H GLY A 93 17.542 11.592 -13.162 1.00 61.35 H new ATOM 0 HA2 GLY A 93 19.380 10.620 -11.258 1.00 68.83 H new ATOM 0 HA3 GLY A 93 19.678 10.956 -12.952 1.00 68.83 H new ATOM 1572 N ARG A 94 19.646 13.789 -11.846 1.00 81.77 N ATOM 1573 CA ARG A 94 20.396 14.998 -11.510 1.00 96.44 C ATOM 1574 C ARG A 94 20.320 15.303 -10.012 1.00 95.13 C ATOM 1575 O ARG A 94 21.084 16.122 -9.499 1.00109.35 O ATOM 1576 CB ARG A 94 19.871 16.195 -12.306 1.00113.12 C ATOM 1577 CG ARG A 94 20.109 16.087 -13.805 1.00154.95 C ATOM 1578 CD ARG A 94 19.498 17.262 -14.552 1.00291.47 C ATOM 1579 NE ARG A 94 20.136 18.528 -14.197 1.00415.93 N ATOM 1580 CZ ARG A 94 19.699 19.716 -14.604 1.00711.23 C ATOM 1581 NH1 ARG A 94 18.633 19.800 -15.392 1.00998.79 N1+ ATOM 1582 NH2 ARG A 94 20.330 20.820 -14.228 1.00999.99 N ATOM 0 H ARG A 94 18.722 13.960 -12.242 1.00 81.77 H new ATOM 0 HA ARG A 94 21.439 14.820 -11.773 1.00 96.44 H new ATOM 0 HB2 ARG A 94 18.801 16.300 -12.124 1.00113.12 H new ATOM 0 HB3 ARG A 94 20.348 17.103 -11.936 1.00113.12 H new ATOM 0 HG2 ARG A 94 21.180 16.046 -14.002 1.00154.95 H new ATOM 0 HG3 ARG A 94 19.681 15.156 -14.176 1.00154.95 H new ATOM 0 HD2 ARG A 94 19.592 17.097 -15.625 1.00291.47 H new ATOM 0 HD3 ARG A 94 18.432 17.318 -14.330 1.00291.47 H new ATOM 0 HE ARG A 94 20.964 18.499 -13.603 1.00415.93 H new ATOM 0 HH11 ARG A 94 18.148 18.952 -15.686 1.00998.79 H new ATOM 0 HH12 ARG A 94 18.299 20.712 -15.703 1.00998.79 H new ATOM 0 HH21 ARG A 94 21.151 20.758 -13.626 1.00999.99 H new ATOM 0 HH22 ARG A 94 19.994 21.731 -14.541 1.00999.99 H new ATOM 1596 N ARG A 95 19.399 14.646 -9.315 1.00 86.45 N ATOM 1597 CA ARG A 95 19.241 14.853 -7.881 1.00 93.68 C ATOM 1598 C ARG A 95 19.735 13.631 -7.108 1.00 94.67 C ATOM 1599 O ARG A 95 19.221 12.525 -7.282 1.00 97.42 O ATOM 1600 CB ARG A 95 17.772 15.135 -7.547 1.00107.44 C ATOM 1601 CG ARG A 95 17.518 15.405 -6.072 1.00307.61 C ATOM 1602 CD ARG A 95 16.067 15.780 -5.816 1.00350.05 C ATOM 1603 NE ARG A 95 15.799 15.997 -4.397 1.00605.90 N ATOM 1604 CZ ARG A 95 16.052 17.140 -3.761 1.00806.78 C ATOM 1605 NH1 ARG A 95 16.573 18.170 -4.417 1.00845.08 N1+ ATOM 1606 NH2 ARG A 95 15.781 17.252 -2.467 1.00999.99 N ATOM 0 H ARG A 95 18.753 13.968 -9.719 1.00 86.45 H new ATOM 0 HA ARG A 95 19.840 15.714 -7.585 1.00 93.68 H new ATOM 0 HB2 ARG A 95 17.436 15.994 -8.127 1.00107.44 H new ATOM 0 HB3 ARG A 95 17.168 14.283 -7.860 1.00107.44 H new ATOM 0 HG2 ARG A 95 17.774 14.520 -5.490 1.00307.61 H new ATOM 0 HG3 ARG A 95 18.169 16.210 -5.731 1.00307.61 H new ATOM 0 HD2 ARG A 95 15.823 16.684 -6.373 1.00350.05 H new ATOM 0 HD3 ARG A 95 15.417 14.989 -6.191 1.00350.05 H new ATOM 0 HE ARG A 95 15.395 15.229 -3.862 1.00605.90 H new ATOM 0 HH11 ARG A 95 16.781 18.088 -5.412 1.00845.08 H new ATOM 0 HH12 ARG A 95 16.765 19.043 -3.926 1.00845.08 H new ATOM 0 HH21 ARG A 95 15.379 16.463 -1.960 1.00999.99 H new ATOM 0 HH22 ARG A 95 15.974 18.127 -1.979 1.00999.99 H new ATOM 1620 N ILE A 96 20.733 13.835 -6.254 1.00103.97 N ATOM 1621 CA ILE A 96 21.290 12.743 -5.460 1.00120.62 C ATOM 1622 C ILE A 96 21.371 13.112 -3.981 1.00135.23 C ATOM 1623 O ILE A 96 21.424 14.289 -3.624 1.00215.76 O ATOM 1624 CB ILE A 96 22.701 12.334 -5.952 1.00134.64 C ATOM 1625 CG1 ILE A 96 23.671 13.519 -5.864 1.00237.82 C ATOM 1626 CG2 ILE A 96 22.641 11.796 -7.375 1.00205.25 C ATOM 1627 CD1 ILE A 96 25.119 13.140 -6.095 1.00308.67 C ATOM 0 H ILE A 96 21.172 14.742 -6.094 1.00103.97 H new ATOM 0 HA ILE A 96 20.612 11.899 -5.585 1.00120.62 H new ATOM 0 HB ILE A 96 23.070 11.541 -5.302 1.00134.64 H new ATOM 0 HG12 ILE A 96 23.380 14.270 -6.598 1.00237.82 H new ATOM 0 HG13 ILE A 96 23.578 13.981 -4.881 1.00237.82 H new ATOM 0 HG21 ILE A 96 23.643 11.515 -7.700 1.00205.25 H new ATOM 0 HG22 ILE A 96 21.991 10.922 -7.406 1.00205.25 H new ATOM 0 HG23 ILE A 96 22.247 12.566 -8.039 1.00205.25 H new ATOM 0 HD11 ILE A 96 25.745 14.029 -6.017 1.00308.67 H new ATOM 0 HD12 ILE A 96 25.429 12.412 -5.345 1.00308.67 H new ATOM 0 HD13 ILE A 96 25.227 12.706 -7.089 1.00308.67 H new ATOM 1639 N ASP A 97 21.380 12.093 -3.126 1.00125.34 N ATOM 1640 CA ASP A 97 21.470 12.296 -1.680 1.00140.49 C ATOM 1641 C ASP A 97 22.461 11.305 -1.075 1.00116.54 C ATOM 1642 O ASP A 97 22.423 11.010 0.119 1.00143.24 O ATOM 1643 CB ASP A 97 20.091 12.121 -1.037 1.00195.56 C ATOM 1644 CG ASP A 97 19.977 12.823 0.300 1.00284.16 C ATOM 1645 OD1 ASP A 97 20.755 13.770 0.541 1.00384.26 O ATOM 1646 OD2 ASP A 97 19.110 12.427 1.106 1.00388.05 O1- ATOM 0 H ASP A 97 21.326 11.115 -3.409 1.00125.34 H new ATOM 0 HA ASP A 97 21.821 13.310 -1.486 1.00140.49 H new ATOM 0 HB2 ASP A 97 19.328 12.508 -1.712 1.00195.56 H new ATOM 0 HB3 ASP A 97 19.889 11.058 -0.903 1.00195.56 H new ATOM 1651 N MET A 98 23.349 10.798 -1.925 1.00 92.56 N ATOM 1652 CA MET A 98 24.360 9.820 -1.522 1.00 86.33 C ATOM 1653 C MET A 98 25.355 10.398 -0.515 1.00 94.07 C ATOM 1654 O MET A 98 25.767 9.713 0.423 1.00108.97 O ATOM 1655 CB MET A 98 25.108 9.317 -2.759 1.00 76.26 C ATOM 1656 CG MET A 98 24.252 8.455 -3.673 1.00134.16 C ATOM 1657 SD MET A 98 25.072 8.068 -5.230 1.00192.83 S ATOM 1658 CE MET A 98 26.361 6.963 -4.665 1.00360.57 C ATOM 0 H MET A 98 23.390 11.052 -2.912 1.00 92.56 H new ATOM 0 HA MET A 98 23.844 8.994 -1.033 1.00 86.33 H new ATOM 0 HB2 MET A 98 25.480 10.173 -3.322 1.00 76.26 H new ATOM 0 HB3 MET A 98 25.978 8.743 -2.440 1.00 76.26 H new ATOM 0 HG2 MET A 98 23.999 7.527 -3.159 1.00134.16 H new ATOM 0 HG3 MET A 98 23.314 8.971 -3.879 1.00134.16 H new ATOM 0 HE1 MET A 98 26.947 6.621 -5.518 1.00360.57 H new ATOM 0 HE2 MET A 98 27.011 7.489 -3.966 1.00360.57 H new ATOM 0 HE3 MET A 98 25.911 6.105 -4.166 1.00360.57 H new ATOM 1668 N ALA A 99 25.744 11.654 -0.721 1.00100.18 N ATOM 1669 CA ALA A 99 26.702 12.322 0.157 1.00127.82 C ATOM 1670 C ALA A 99 26.185 12.445 1.591 1.00152.91 C ATOM 1671 O ALA A 99 26.936 12.250 2.548 1.00184.23 O ATOM 1672 CB ALA A 99 27.044 13.698 -0.396 1.00148.64 C ATOM 0 H ALA A 99 25.409 12.232 -1.492 1.00100.18 H new ATOM 0 HA ALA A 99 27.601 11.706 0.188 1.00127.82 H new ATOM 0 HB1 ALA A 99 27.759 14.188 0.265 1.00148.64 H new ATOM 0 HB2 ALA A 99 27.481 13.593 -1.389 1.00148.64 H new ATOM 0 HB3 ALA A 99 26.137 14.300 -0.461 1.00148.64 H new ATOM 1678 N TYR A 100 24.903 12.766 1.736 1.00156.72 N ATOM 1679 CA TYR A 100 24.298 12.921 3.056 1.00204.64 C ATOM 1680 C TYR A 100 23.975 11.570 3.691 1.00199.88 C ATOM 1681 O TYR A 100 23.840 11.469 4.912 1.00224.93 O ATOM 1682 CB TYR A 100 23.036 13.783 2.973 1.00239.39 C ATOM 1683 CG TYR A 100 23.314 15.231 2.629 1.00453.50 C ATOM 1684 CD1 TYR A 100 23.233 15.682 1.316 1.00583.16 C ATOM 1685 CD2 TYR A 100 23.664 16.145 3.615 1.00853.43 C ATOM 1686 CE1 TYR A 100 23.492 17.001 0.998 1.00999.99 C ATOM 1687 CE2 TYR A 100 23.923 17.468 3.304 1.00999.99 C ATOM 1688 CZ TYR A 100 23.837 17.889 1.993 1.00999.99 C ATOM 1689 OH TYR A 100 24.095 19.203 1.679 1.00999.99 O ATOM 0 H TYR A 100 24.263 12.924 0.957 1.00156.72 H new ATOM 0 HA TYR A 100 25.027 13.422 3.692 1.00204.64 H new ATOM 0 HB2 TYR A 100 22.367 13.362 2.223 1.00239.39 H new ATOM 0 HB3 TYR A 100 22.512 13.739 3.928 1.00239.39 H new ATOM 0 HD1 TYR A 100 22.963 14.990 0.532 1.00583.16 H new ATOM 0 HD2 TYR A 100 23.735 15.817 4.642 1.00853.43 H new ATOM 0 HE1 TYR A 100 23.424 17.335 -0.027 1.00999.99 H new ATOM 0 HE2 TYR A 100 24.191 18.167 4.083 1.00999.99 H new ATOM 0 HH TYR A 100 24.323 19.696 2.495 1.00999.99 H new ATOM 1699 N PHE A 101 23.852 10.537 2.859 1.00177.77 N ATOM 1700 CA PHE A 101 23.547 9.187 3.334 1.00182.30 C ATOM 1701 C PHE A 101 24.620 8.692 4.307 1.00180.18 C ATOM 1702 O PHE A 101 24.300 8.158 5.370 1.00202.85 O ATOM 1703 CB PHE A 101 23.415 8.227 2.145 1.00169.69 C ATOM 1704 CG PHE A 101 23.092 6.812 2.536 1.00212.19 C ATOM 1705 CD1 PHE A 101 21.813 6.470 2.944 1.00237.60 C ATOM 1706 CD2 PHE A 101 24.064 5.826 2.490 1.00301.02 C ATOM 1707 CE1 PHE A 101 21.510 5.169 3.297 1.00297.03 C ATOM 1708 CE2 PHE A 101 23.766 4.525 2.842 1.00374.13 C ATOM 1709 CZ PHE A 101 22.487 4.196 3.247 1.00345.20 C ATOM 0 H PHE A 101 23.959 10.609 1.847 1.00177.77 H new ATOM 0 HA PHE A 101 22.598 9.218 3.869 1.00182.30 H new ATOM 0 HB2 PHE A 101 22.636 8.596 1.478 1.00169.69 H new ATOM 0 HB3 PHE A 101 24.347 8.234 1.580 1.00169.69 H new ATOM 0 HD1 PHE A 101 21.045 7.228 2.987 1.00237.60 H new ATOM 0 HD2 PHE A 101 25.066 6.078 2.175 1.00301.02 H new ATOM 0 HE1 PHE A 101 20.509 4.914 3.612 1.00297.03 H new ATOM 0 HE2 PHE A 101 24.532 3.765 2.801 1.00374.13 H new ATOM 0 HZ PHE A 101 22.252 3.179 3.524 1.00345.20 H new ATOM 1719 N TYR A 102 25.889 8.870 3.937 1.00164.80 N ATOM 1720 CA TYR A 102 27.002 8.449 4.790 1.00173.79 C ATOM 1721 C TYR A 102 26.984 9.200 6.119 1.00200.84 C ATOM 1722 O TYR A 102 27.265 8.623 7.172 1.00227.37 O ATOM 1723 CB TYR A 102 28.342 8.678 4.087 1.00171.66 C ATOM 1724 CG TYR A 102 28.722 7.582 3.117 1.00220.86 C ATOM 1725 CD1 TYR A 102 28.258 7.587 1.807 1.00393.52 C ATOM 1726 CD2 TYR A 102 29.551 6.540 3.514 1.00371.04 C ATOM 1727 CE1 TYR A 102 28.611 6.585 0.923 1.00693.62 C ATOM 1728 CE2 TYR A 102 29.908 5.536 2.636 1.00656.65 C ATOM 1729 CZ TYR A 102 29.436 5.564 1.343 1.00806.00 C ATOM 1730 OH TYR A 102 29.793 4.566 0.465 1.00999.99 O ATOM 0 H TYR A 102 26.171 9.301 3.057 1.00164.80 H new ATOM 0 HA TYR A 102 26.883 7.383 4.987 1.00173.79 H new ATOM 0 HB2 TYR A 102 28.302 9.626 3.551 1.00171.66 H new ATOM 0 HB3 TYR A 102 29.125 8.770 4.840 1.00171.66 H new ATOM 0 HD1 TYR A 102 27.612 8.386 1.475 1.00393.52 H new ATOM 0 HD2 TYR A 102 29.923 6.515 4.528 1.00371.04 H new ATOM 0 HE1 TYR A 102 28.242 6.602 -0.092 1.00693.62 H new ATOM 0 HE2 TYR A 102 30.554 4.734 2.962 1.00656.65 H new ATOM 0 HH TYR A 102 30.379 3.925 0.919 1.00999.99 H new ATOM 1740 N ASP A 103 26.658 10.490 6.059 1.00204.76 N ATOM 1741 CA ASP A 103 26.581 11.324 7.257 1.00242.28 C ATOM 1742 C ASP A 103 25.494 10.803 8.194 1.00266.98 C ATOM 1743 O ASP A 103 25.683 10.742 9.410 1.00300.46 O ATOM 1744 CB ASP A 103 26.297 12.780 6.880 1.00257.95 C ATOM 1745 CG ASP A 103 26.338 13.709 8.076 1.00399.17 C ATOM 1746 OD1 ASP A 103 27.421 13.851 8.680 1.00558.87 O ATOM 1747 OD2 ASP A 103 25.287 14.299 8.404 1.00540.69 O1- ATOM 0 H ASP A 103 26.443 10.981 5.191 1.00204.76 H new ATOM 0 HA ASP A 103 27.541 11.279 7.771 1.00242.28 H new ATOM 0 HB2 ASP A 103 27.029 13.110 6.143 1.00257.95 H new ATOM 0 HB3 ASP A 103 25.317 12.845 6.407 1.00257.95 H new ATOM 1752 N ALA A 104 24.352 10.436 7.611 1.00260.90 N ATOM 1753 CA ALA A 104 23.228 9.904 8.376 1.00294.90 C ATOM 1754 C ALA A 104 23.607 8.600 9.075 1.00294.01 C ATOM 1755 O ALA A 104 23.221 8.371 10.223 1.00332.85 O ATOM 1756 CB ALA A 104 22.025 9.689 7.469 1.00298.30 C ATOM 0 H ALA A 104 24.183 10.499 6.607 1.00260.90 H new ATOM 0 HA ALA A 104 22.965 10.633 9.142 1.00294.90 H new ATOM 0 HB1 ALA A 104 21.195 9.292 8.053 1.00298.30 H new ATOM 0 HB2 ALA A 104 21.732 10.639 7.022 1.00298.30 H new ATOM 0 HB3 ALA A 104 22.285 8.982 6.681 1.00298.30 H new ATOM 1762 N LEU A 105 24.363 7.750 8.375 1.00259.78 N ATOM 1763 CA LEU A 105 24.797 6.471 8.937 1.00264.87 C ATOM 1764 C LEU A 105 25.683 6.688 10.157 1.00279.27 C ATOM 1765 O LEU A 105 25.556 5.979 11.154 1.00303.74 O ATOM 1766 CB LEU A 105 25.570 5.652 7.899 1.00241.53 C ATOM 1767 CG LEU A 105 24.743 5.100 6.738 1.00307.19 C ATOM 1768 CD1 LEU A 105 25.658 4.492 5.687 1.00385.85 C ATOM 1769 CD2 LEU A 105 23.742 4.064 7.236 1.00472.21 C ATOM 0 H LEU A 105 24.685 7.924 7.423 1.00259.78 H new ATOM 0 HA LEU A 105 23.902 5.924 9.233 1.00264.87 H new ATOM 0 HB2 LEU A 105 26.365 6.276 7.490 1.00241.53 H new ATOM 0 HB3 LEU A 105 26.051 4.816 8.408 1.00241.53 H new ATOM 0 HG LEU A 105 24.187 5.922 6.286 1.00307.19 H new ATOM 0 HD11 LEU A 105 25.059 4.102 4.865 1.00385.85 H new ATOM 0 HD12 LEU A 105 26.337 5.256 5.310 1.00385.85 H new ATOM 0 HD13 LEU A 105 26.235 3.681 6.132 1.00385.85 H new ATOM 0 HD21 LEU A 105 23.163 3.683 6.394 1.00472.21 H new ATOM 0 HD22 LEU A 105 24.276 3.241 7.711 1.00472.21 H new ATOM 0 HD23 LEU A 105 23.070 4.526 7.959 1.00472.21 H new ATOM 1781 N LYS A 106 26.589 7.662 10.063 1.00273.60 N ATOM 1782 CA LYS A 106 27.491 7.991 11.165 1.00299.72 C ATOM 1783 C LYS A 106 26.709 8.473 12.387 1.00347.63 C ATOM 1784 O LYS A 106 26.992 8.066 13.515 1.00382.37 O ATOM 1785 CB LYS A 106 28.491 9.063 10.721 1.00300.16 C ATOM 1786 CG LYS A 106 29.501 9.449 11.793 1.00356.49 C ATOM 1787 CD LYS A 106 30.477 10.499 11.287 1.00366.69 C ATOM 1788 CE LYS A 106 31.482 10.888 12.360 1.00569.73 C ATOM 1789 NZ LYS A 106 32.451 11.908 11.872 1.00821.44 N1+ ATOM 0 H LYS A 106 26.717 8.238 9.231 1.00273.60 H new ATOM 0 HA LYS A 106 28.035 7.088 11.444 1.00299.72 H new ATOM 0 HB2 LYS A 106 29.028 8.703 9.843 1.00300.16 H new ATOM 0 HB3 LYS A 106 27.942 9.954 10.416 1.00300.16 H new ATOM 0 HG2 LYS A 106 28.976 9.831 12.668 1.00356.49 H new ATOM 0 HG3 LYS A 106 30.051 8.564 12.112 1.00356.49 H new ATOM 0 HD2 LYS A 106 31.005 10.116 10.414 1.00366.69 H new ATOM 0 HD3 LYS A 106 29.927 11.383 10.964 1.00366.69 H new ATOM 0 HE2 LYS A 106 30.952 11.278 13.229 1.00569.73 H new ATOM 0 HE3 LYS A 106 32.024 10.001 12.688 1.00569.73 H new ATOM 0 HZ1 LYS A 106 33.118 12.145 12.634 1.00821.44 H new ATOM 0 HZ2 LYS A 106 32.975 11.527 11.058 1.00821.44 H new ATOM 0 HZ3 LYS A 106 31.937 12.765 11.583 1.00821.44 H new ATOM 1803 N ASP A 107 25.723 9.337 12.147 1.00359.01 N ATOM 1804 CA ASP A 107 24.887 9.888 13.220 1.00416.94 C ATOM 1805 C ASP A 107 24.163 8.792 13.999 1.00439.86 C ATOM 1806 O ASP A 107 24.038 8.870 15.220 1.00493.04 O ATOM 1807 CB ASP A 107 23.862 10.875 12.651 1.00429.68 C ATOM 1808 CG ASP A 107 24.486 12.185 12.212 1.00566.91 C ATOM 1809 OD1 ASP A 107 25.653 12.443 12.577 1.00638.90 O ATOM 1810 OD2 ASP A 107 23.805 12.956 11.505 1.00746.24 O1- ATOM 0 H ASP A 107 25.481 9.673 11.215 1.00359.01 H new ATOM 0 HA ASP A 107 25.553 10.409 13.908 1.00416.94 H new ATOM 0 HB2 ASP A 107 23.356 10.416 11.801 1.00429.68 H new ATOM 0 HB3 ASP A 107 23.101 11.075 13.405 1.00429.68 H new ATOM 1815 N LYS A 108 23.679 7.780 13.286 1.00410.03 N ATOM 1816 CA LYS A 108 22.961 6.675 13.917 1.00437.60 C ATOM 1817 C LYS A 108 23.904 5.525 14.276 1.00427.09 C ATOM 1818 O LYS A 108 23.475 4.526 14.856 1.00453.93 O ATOM 1819 CB LYS A 108 21.851 6.167 12.992 1.00433.31 C ATOM 1820 CG LYS A 108 20.827 7.227 12.614 1.00459.99 C ATOM 1821 CD LYS A 108 20.063 7.730 13.830 1.00625.88 C ATOM 1822 CE LYS A 108 19.009 8.755 13.438 1.00809.13 C ATOM 1823 NZ LYS A 108 18.260 9.262 14.620 1.00999.99 N1+ ATOM 0 H LYS A 108 23.770 7.701 12.273 1.00410.03 H new ATOM 0 HA LYS A 108 22.520 7.052 14.840 1.00437.60 H new ATOM 0 HB2 LYS A 108 22.303 5.772 12.082 1.00433.31 H new ATOM 0 HB3 LYS A 108 21.338 5.338 13.479 1.00433.31 H new ATOM 0 HG2 LYS A 108 21.331 8.063 12.129 1.00459.99 H new ATOM 0 HG3 LYS A 108 20.126 6.814 11.889 1.00459.99 H new ATOM 0 HD2 LYS A 108 19.586 6.890 14.335 1.00625.88 H new ATOM 0 HD3 LYS A 108 20.759 8.175 14.541 1.00625.88 H new ATOM 0 HE2 LYS A 108 19.488 9.590 12.926 1.00809.13 H new ATOM 0 HE3 LYS A 108 18.311 8.306 12.731 1.00809.13 H new ATOM 0 HZ1 LYS A 108 17.552 9.958 14.310 1.00999.99 H new ATOM 0 HZ2 LYS A 108 17.782 8.469 15.094 1.00999.99 H new ATOM 0 HZ3 LYS A 108 18.922 9.714 15.283 1.00999.99 H new ATOM 1837 N ASN A 109 25.182 5.685 13.926 1.00397.86 N ATOM 1838 CA ASN A 109 26.214 4.674 14.191 1.00395.56 C ATOM 1839 C ASN A 109 25.841 3.322 13.572 1.00379.75 C ATOM 1840 O ASN A 109 25.991 2.273 14.200 1.00398.92 O ATOM 1841 CB ASN A 109 26.449 4.526 15.700 1.00454.81 C ATOM 1842 CG ASN A 109 27.784 3.881 16.020 1.00493.28 C ATOM 1843 OD1 ASN A 109 28.780 4.116 15.335 1.00466.98 O ATOM 1844 ND2 ASN A 109 27.815 3.066 17.065 1.00675.44 N ATOM 0 H ASN A 109 25.533 6.517 13.451 1.00397.86 H new ATOM 0 HA ASN A 109 27.139 5.013 13.725 1.00395.56 H new ATOM 0 HB2 ASN A 109 26.402 5.508 16.170 1.00454.81 H new ATOM 0 HB3 ASN A 109 25.647 3.927 16.132 1.00454.81 H new ATOM 0 HD21 ASN A 109 28.687 2.607 17.328 1.00675.44 H new ATOM 0 HD22 ASN A 109 26.967 2.898 17.606 1.00675.44 H new ATOM 1851 N MET A 110 25.352 3.352 12.335 1.00357.57 N ATOM 1852 CA MET A 110 24.962 2.125 11.647 1.00356.11 C ATOM 1853 C MET A 110 26.000 1.718 10.604 1.00317.66 C ATOM 1854 O MET A 110 26.171 2.391 9.586 1.00347.18 O ATOM 1855 CB MET A 110 23.601 2.294 10.968 1.00376.47 C ATOM 1856 CG MET A 110 22.439 2.438 11.938 1.00500.58 C ATOM 1857 SD MET A 110 20.836 2.359 11.117 1.00891.58 S ATOM 1858 CE MET A 110 20.819 3.916 10.230 1.00999.99 C ATOM 0 H MET A 110 25.217 4.205 11.792 1.00357.57 H new ATOM 0 HA MET A 110 24.896 1.339 12.400 1.00356.11 H new ATOM 0 HB2 MET A 110 23.634 3.173 10.324 1.00376.47 H new ATOM 0 HB3 MET A 110 23.419 1.434 10.324 1.00376.47 H new ATOM 0 HG2 MET A 110 22.498 1.650 12.689 1.00500.58 H new ATOM 0 HG3 MET A 110 22.526 3.388 12.465 1.00500.58 H new ATOM 0 HE1 MET A 110 20.004 4.537 10.601 1.00999.99 H new ATOM 0 HE2 MET A 110 21.767 4.432 10.383 1.00999.99 H new ATOM 0 HE3 MET A 110 20.676 3.727 9.166 1.00999.99 H new ATOM 1868 N ILE A 111 26.696 0.618 10.868 1.00267.60 N ATOM 1869 CA ILE A 111 27.704 0.108 9.945 1.00237.97 C ATOM 1870 C ILE A 111 27.088 -0.953 9.032 1.00208.35 C ATOM 1871 O ILE A 111 26.604 -1.981 9.511 1.00195.51 O ATOM 1872 CB ILE A 111 28.905 -0.497 10.708 1.00229.14 C ATOM 1873 CG1 ILE A 111 29.526 0.551 11.639 1.00282.61 C ATOM 1874 CG2 ILE A 111 29.951 -1.028 9.734 1.00210.79 C ATOM 1875 CD1 ILE A 111 30.521 -0.026 12.623 1.00390.38 C ATOM 0 H ILE A 111 26.581 0.061 11.715 1.00267.60 H new ATOM 0 HA ILE A 111 28.064 0.943 9.344 1.00237.97 H new ATOM 0 HB ILE A 111 28.544 -1.331 11.310 1.00229.14 H new ATOM 0 HG12 ILE A 111 30.023 1.311 11.036 1.00282.61 H new ATOM 0 HG13 ILE A 111 28.730 1.051 12.191 1.00282.61 H new ATOM 0 HG21 ILE A 111 30.787 -1.449 10.292 1.00210.79 H new ATOM 0 HG22 ILE A 111 29.506 -1.802 9.108 1.00210.79 H new ATOM 0 HG23 ILE A 111 30.309 -0.213 9.104 1.00210.79 H new ATOM 0 HD11 ILE A 111 30.919 0.773 13.249 1.00390.38 H new ATOM 0 HD12 ILE A 111 30.024 -0.765 13.251 1.00390.38 H new ATOM 0 HD13 ILE A 111 31.337 -0.502 12.079 1.00390.38 H new ATOM 1887 N PRO A 112 27.086 -0.720 7.706 1.00213.02 N ATOM 1888 CA PRO A 112 26.518 -1.674 6.746 1.00205.62 C ATOM 1889 C PRO A 112 27.384 -2.920 6.561 1.00166.01 C ATOM 1890 O PRO A 112 28.540 -2.836 6.137 1.00157.37 O ATOM 1891 CB PRO A 112 26.449 -0.865 5.448 1.00242.33 C ATOM 1892 CG PRO A 112 27.523 0.163 5.577 1.00241.94 C ATOM 1893 CD PRO A 112 27.618 0.489 7.045 1.00243.11 C ATOM 0 HA PRO A 112 25.555 -2.059 7.080 1.00205.62 H new ATOM 0 HB2 PRO A 112 26.613 -1.500 4.578 1.00242.33 H new ATOM 0 HB3 PRO A 112 25.471 -0.401 5.324 1.00242.33 H new ATOM 0 HG2 PRO A 112 28.473 -0.217 5.200 1.00241.94 H new ATOM 0 HG3 PRO A 112 27.282 1.053 4.995 1.00241.94 H new ATOM 0 HD2 PRO A 112 28.646 0.690 7.345 1.00243.11 H new ATOM 0 HD3 PRO A 112 27.034 1.374 7.298 1.00243.11 H new ATOM 1901 N LYS A 113 26.820 -4.079 6.886 1.00158.33 N ATOM 1902 CA LYS A 113 27.528 -5.347 6.743 1.00137.17 C ATOM 1903 C LYS A 113 27.374 -5.892 5.325 1.00131.14 C ATOM 1904 O LYS A 113 26.316 -5.749 4.711 1.00143.93 O ATOM 1905 CB LYS A 113 27.005 -6.369 7.757 1.00150.89 C ATOM 1906 CG LYS A 113 27.282 -5.986 9.203 1.00177.84 C ATOM 1907 CD LYS A 113 26.747 -7.031 10.169 1.00242.64 C ATOM 1908 CE LYS A 113 27.027 -6.645 11.613 1.00406.97 C ATOM 1909 NZ LYS A 113 26.501 -7.657 12.571 1.00618.10 N1+ ATOM 0 H LYS A 113 25.872 -4.166 7.251 1.00158.33 H new ATOM 0 HA LYS A 113 28.586 -5.170 6.935 1.00137.17 H new ATOM 0 HB2 LYS A 113 25.930 -6.487 7.620 1.00150.89 H new ATOM 0 HB3 LYS A 113 27.461 -7.338 7.552 1.00150.89 H new ATOM 0 HG2 LYS A 113 28.356 -5.869 9.350 1.00177.84 H new ATOM 0 HG3 LYS A 113 26.824 -5.021 9.419 1.00177.84 H new ATOM 0 HD2 LYS A 113 25.673 -7.148 10.023 1.00242.64 H new ATOM 0 HD3 LYS A 113 27.205 -7.997 9.953 1.00242.64 H new ATOM 0 HE2 LYS A 113 28.102 -6.533 11.757 1.00406.97 H new ATOM 0 HE3 LYS A 113 26.575 -5.676 11.824 1.00406.97 H new ATOM 0 HZ1 LYS A 113 26.712 -7.357 13.544 1.00618.10 H new ATOM 0 HZ2 LYS A 113 25.472 -7.746 12.452 1.00618.10 H new ATOM 0 HZ3 LYS A 113 26.951 -8.576 12.387 1.00618.10 H new ATOM 1923 N TYR A 114 28.436 -6.506 4.803 1.00131.35 N ATOM 1924 CA TYR A 114 28.403 -7.072 3.460 1.00145.33 C ATOM 1925 C TYR A 114 27.449 -8.265 3.394 1.00168.40 C ATOM 1926 O TYR A 114 27.571 -9.212 4.172 1.00230.26 O ATOM 1927 CB TYR A 114 29.808 -7.502 3.024 1.00181.27 C ATOM 1928 CG TYR A 114 29.863 -8.082 1.628 1.00500.22 C ATOM 1929 CD1 TYR A 114 29.763 -7.260 0.512 1.00731.83 C ATOM 1930 CD2 TYR A 114 30.014 -9.449 1.426 1.00947.01 C ATOM 1931 CE1 TYR A 114 29.812 -7.785 -0.766 1.00999.99 C ATOM 1932 CE2 TYR A 114 30.064 -9.980 0.151 1.00999.99 C ATOM 1933 CZ TYR A 114 29.962 -9.145 -0.940 1.00999.99 C ATOM 1934 OH TYR A 114 30.010 -9.670 -2.211 1.00999.99 O ATOM 0 H TYR A 114 29.325 -6.622 5.290 1.00131.35 H new ATOM 0 HA TYR A 114 28.041 -6.301 2.780 1.00145.33 H new ATOM 0 HB2 TYR A 114 30.474 -6.641 3.076 1.00181.27 H new ATOM 0 HB3 TYR A 114 30.187 -8.241 3.730 1.00181.27 H new ATOM 0 HD1 TYR A 114 29.645 -6.195 0.645 1.00731.83 H new ATOM 0 HD2 TYR A 114 30.094 -10.107 2.279 1.00947.01 H new ATOM 0 HE1 TYR A 114 29.733 -7.134 -1.624 1.00999.99 H new ATOM 0 HE2 TYR A 114 30.182 -11.044 0.011 1.00999.99 H new ATOM 0 HH TYR A 114 30.566 -10.477 -2.211 1.00999.99 H new ATOM 1944 N LEU A 115 26.506 -8.212 2.462 1.00153.63 N ATOM 1945 CA LEU A 115 25.541 -9.291 2.293 1.00200.29 C ATOM 1946 C LEU A 115 25.946 -10.208 1.139 1.00200.92 C ATOM 1947 O LEU A 115 26.480 -9.744 0.132 1.00160.68 O ATOM 1948 CB LEU A 115 24.144 -8.715 2.034 1.00229.55 C ATOM 1949 CG LEU A 115 23.574 -7.853 3.165 1.00303.77 C ATOM 1950 CD1 LEU A 115 22.273 -7.197 2.728 1.00415.25 C ATOM 1951 CD2 LEU A 115 23.354 -8.688 4.417 1.00397.52 C ATOM 0 H LEU A 115 26.389 -7.434 1.812 1.00153.63 H new ATOM 0 HA LEU A 115 25.523 -9.878 3.211 1.00200.29 H new ATOM 0 HB2 LEU A 115 24.178 -8.116 1.124 1.00229.55 H new ATOM 0 HB3 LEU A 115 23.457 -9.540 1.846 1.00229.55 H new ATOM 0 HG LEU A 115 24.296 -7.070 3.398 1.00303.77 H new ATOM 0 HD11 LEU A 115 21.881 -6.588 3.543 1.00415.25 H new ATOM 0 HD12 LEU A 115 22.458 -6.565 1.859 1.00415.25 H new ATOM 0 HD13 LEU A 115 21.547 -7.967 2.468 1.00415.25 H new ATOM 0 HD21 LEU A 115 22.949 -8.057 5.208 1.00397.52 H new ATOM 0 HD22 LEU A 115 22.652 -9.493 4.199 1.00397.52 H new ATOM 0 HD23 LEU A 115 24.303 -9.113 4.742 1.00397.52 H new ATOM 1963 N PRO A 116 25.683 -11.527 1.266 1.00281.30 N ATOM 1964 CA PRO A 116 26.008 -12.507 0.216 1.00320.12 C ATOM 1965 C PRO A 116 25.161 -12.304 -1.041 1.00263.33 C ATOM 1966 O PRO A 116 25.507 -12.777 -2.126 1.00247.55 O ATOM 1967 CB PRO A 116 25.686 -13.853 0.871 1.00469.15 C ATOM 1968 CG PRO A 116 24.693 -13.531 1.936 1.00529.15 C ATOM 1969 CD PRO A 116 25.067 -12.166 2.445 1.00382.32 C ATOM 0 HA PRO A 116 27.042 -12.422 -0.119 1.00320.12 H new ATOM 0 HB2 PRO A 116 25.275 -14.557 0.147 1.00469.15 H new ATOM 0 HB3 PRO A 116 26.581 -14.313 1.291 1.00469.15 H new ATOM 0 HG2 PRO A 116 23.678 -13.536 1.539 1.00529.15 H new ATOM 0 HG3 PRO A 116 24.725 -14.270 2.737 1.00529.15 H new ATOM 0 HD2 PRO A 116 24.195 -11.613 2.794 1.00382.32 H new ATOM 0 HD3 PRO A 116 25.763 -12.224 3.282 1.00382.32 H new ATOM 1977 N TYR A 117 24.048 -11.592 -0.873 1.00266.45 N ATOM 1978 CA TYR A 117 23.120 -11.294 -1.961 1.00243.82 C ATOM 1979 C TYR A 117 23.789 -10.450 -3.049 1.00155.14 C ATOM 1980 O TYR A 117 23.396 -10.500 -4.216 1.00146.85 O ATOM 1981 CB TYR A 117 21.887 -10.571 -1.409 1.00309.31 C ATOM 1982 CG TYR A 117 20.755 -10.450 -2.403 1.00328.26 C ATOM 1983 CD1 TYR A 117 19.906 -11.523 -2.651 1.00407.74 C ATOM 1984 CD2 TYR A 117 20.532 -9.267 -3.093 1.00341.89 C ATOM 1985 CE1 TYR A 117 18.871 -11.418 -3.560 1.00458.99 C ATOM 1986 CE2 TYR A 117 19.500 -9.156 -4.003 1.00394.67 C ATOM 1987 CZ TYR A 117 18.674 -10.234 -4.234 1.00432.02 C ATOM 1988 OH TYR A 117 17.644 -10.124 -5.139 1.00516.88 O ATOM 0 H TYR A 117 23.764 -11.204 0.026 1.00266.45 H new ATOM 0 HA TYR A 117 22.812 -12.236 -2.415 1.00243.82 H new ATOM 0 HB2 TYR A 117 21.529 -11.104 -0.528 1.00309.31 H new ATOM 0 HB3 TYR A 117 22.179 -9.573 -1.081 1.00309.31 H new ATOM 0 HD1 TYR A 117 20.058 -12.454 -2.124 1.00407.74 H new ATOM 0 HD2 TYR A 117 21.177 -8.419 -2.915 1.00341.89 H new ATOM 0 HE1 TYR A 117 18.220 -12.260 -3.741 1.00458.99 H new ATOM 0 HE2 TYR A 117 19.341 -8.228 -4.532 1.00394.67 H new ATOM 0 HH TYR A 117 17.643 -9.224 -5.526 1.00516.88 H new ATOM 1998 N MET A 118 24.806 -9.680 -2.657 1.00124.23 N ATOM 1999 CA MET A 118 25.527 -8.812 -3.589 1.00103.17 C ATOM 2000 C MET A 118 26.166 -9.612 -4.718 1.00 96.18 C ATOM 2001 O MET A 118 26.180 -9.168 -5.869 1.00101.18 O ATOM 2002 CB MET A 118 26.608 -8.019 -2.850 1.00134.95 C ATOM 2003 CG MET A 118 26.051 -6.955 -1.920 1.00325.51 C ATOM 2004 SD MET A 118 24.982 -5.785 -2.777 1.00566.08 S ATOM 2005 CE MET A 118 26.134 -5.032 -3.925 1.00914.60 C ATOM 0 H MET A 118 25.149 -9.640 -1.697 1.00124.23 H new ATOM 0 HA MET A 118 24.802 -8.124 -4.023 1.00103.17 H new ATOM 0 HB2 MET A 118 27.223 -8.709 -2.272 1.00134.95 H new ATOM 0 HB3 MET A 118 27.263 -7.545 -3.581 1.00134.95 H new ATOM 0 HG2 MET A 118 25.490 -7.435 -1.118 1.00325.51 H new ATOM 0 HG3 MET A 118 26.876 -6.416 -1.454 1.00325.51 H new ATOM 0 HE1 MET A 118 25.622 -4.260 -4.500 1.00914.60 H new ATOM 0 HE2 MET A 118 26.959 -4.585 -3.371 1.00914.60 H new ATOM 0 HE3 MET A 118 26.522 -5.793 -4.603 1.00914.60 H new ATOM 2015 N GLU A 119 26.700 -10.785 -4.388 1.00117.85 N ATOM 2016 CA GLU A 119 27.332 -11.642 -5.385 1.00163.81 C ATOM 2017 C GLU A 119 26.328 -12.050 -6.462 1.00162.83 C ATOM 2018 O GLU A 119 26.657 -12.069 -7.648 1.00192.60 O ATOM 2019 CB GLU A 119 27.926 -12.887 -4.719 1.00231.37 C ATOM 2020 CG GLU A 119 29.150 -12.596 -3.861 1.00339.17 C ATOM 2021 CD GLU A 119 29.606 -13.801 -3.059 1.00455.50 C ATOM 2022 OE1 GLU A 119 28.839 -14.782 -2.970 1.00457.83 O ATOM 2023 OE2 GLU A 119 30.732 -13.761 -2.522 1.00675.31 O1- ATOM 0 H GLU A 119 26.707 -11.162 -3.440 1.00117.85 H new ATOM 0 HA GLU A 119 28.136 -11.079 -5.858 1.00163.81 H new ATOM 0 HB2 GLU A 119 27.162 -13.356 -4.099 1.00231.37 H new ATOM 0 HB3 GLU A 119 28.197 -13.607 -5.491 1.00231.37 H new ATOM 0 HG2 GLU A 119 29.966 -12.262 -4.502 1.00339.17 H new ATOM 0 HG3 GLU A 119 28.924 -11.776 -3.179 1.00339.17 H new ATOM 2030 N GLU A 120 25.101 -12.363 -6.042 1.00159.60 N ATOM 2031 CA GLU A 120 24.047 -12.762 -6.972 1.00190.47 C ATOM 2032 C GLU A 120 23.667 -11.610 -7.904 1.00143.38 C ATOM 2033 O GLU A 120 23.449 -11.817 -9.097 1.00164.78 O ATOM 2034 CB GLU A 120 22.814 -13.250 -6.205 1.00249.42 C ATOM 2035 CG GLU A 120 23.027 -14.587 -5.507 1.00389.00 C ATOM 2036 CD GLU A 120 21.870 -14.974 -4.607 1.00621.93 C ATOM 2037 OE1 GLU A 120 21.021 -14.105 -4.319 1.00703.99 O ATOM 2038 OE2 GLU A 120 21.813 -16.149 -4.189 1.00900.95 O1- ATOM 0 H GLU A 120 24.814 -12.347 -5.063 1.00159.60 H new ATOM 0 HA GLU A 120 24.431 -13.580 -7.582 1.00190.47 H new ATOM 0 HB2 GLU A 120 22.537 -12.501 -5.463 1.00249.42 H new ATOM 0 HB3 GLU A 120 21.976 -13.339 -6.897 1.00249.42 H new ATOM 0 HG2 GLU A 120 23.172 -15.364 -6.258 1.00389.00 H new ATOM 0 HG3 GLU A 120 23.941 -14.541 -4.915 1.00389.00 H new ATOM 2045 N ILE A 121 23.588 -10.398 -7.348 1.00104.94 N ATOM 2046 CA ILE A 121 23.257 -9.208 -8.131 1.00 94.04 C ATOM 2047 C ILE A 121 24.309 -8.951 -9.214 1.00 94.85 C ATOM 2048 O ILE A 121 23.969 -8.667 -10.360 1.00105.59 O ATOM 2049 CB ILE A 121 23.119 -7.959 -7.220 1.00103.27 C ATOM 2050 CG1 ILE A 121 21.873 -8.081 -6.342 1.00190.31 C ATOM 2051 CG2 ILE A 121 23.065 -6.671 -8.038 1.00158.01 C ATOM 2052 CD1 ILE A 121 20.576 -8.142 -7.128 1.00300.73 C ATOM 0 H ILE A 121 23.749 -10.217 -6.357 1.00104.94 H new ATOM 0 HA ILE A 121 22.298 -9.393 -8.614 1.00 94.04 H new ATOM 0 HB ILE A 121 24.003 -7.912 -6.583 1.00103.27 H new ATOM 0 HG12 ILE A 121 21.958 -8.978 -5.728 1.00190.31 H new ATOM 0 HG13 ILE A 121 21.835 -7.231 -5.661 1.00190.31 H new ATOM 0 HG21 ILE A 121 22.968 -5.818 -7.367 1.00158.01 H new ATOM 0 HG22 ILE A 121 23.980 -6.572 -8.621 1.00158.01 H new ATOM 0 HG23 ILE A 121 22.208 -6.703 -8.710 1.00158.01 H new ATOM 0 HD11 ILE A 121 19.736 -8.228 -6.438 1.00300.73 H new ATOM 0 HD12 ILE A 121 20.467 -7.234 -7.721 1.00300.73 H new ATOM 0 HD13 ILE A 121 20.592 -9.008 -7.790 1.00300.73 H new ATOM 2064 N ASN A 122 25.582 -9.055 -8.839 1.00110.64 N ATOM 2065 CA ASN A 122 26.682 -8.836 -9.780 1.00161.78 C ATOM 2066 C ASN A 122 26.678 -9.862 -10.917 1.00194.23 C ATOM 2067 O ASN A 122 26.960 -9.524 -12.067 1.00241.72 O ATOM 2068 CB ASN A 122 28.030 -8.886 -9.052 1.00211.29 C ATOM 2069 CG ASN A 122 28.275 -7.672 -8.177 1.00326.65 C ATOM 2070 OD1 ASN A 122 27.657 -6.624 -8.360 1.00450.08 O ATOM 2071 ND2 ASN A 122 29.184 -7.806 -7.221 1.00595.29 N ATOM 0 H ASN A 122 25.879 -9.289 -7.892 1.00110.64 H new ATOM 0 HA ASN A 122 26.536 -7.847 -10.215 1.00161.78 H new ATOM 0 HB2 ASN A 122 28.072 -9.785 -8.437 1.00211.29 H new ATOM 0 HB3 ASN A 122 28.831 -8.965 -9.787 1.00211.29 H new ATOM 0 HD21 ASN A 122 29.394 -7.022 -6.603 1.00595.29 H new ATOM 0 HD22 ASN A 122 29.674 -8.693 -7.104 1.00595.29 H new ATOM 2078 N ARG A 123 26.377 -11.115 -10.584 1.00196.99 N ATOM 2079 CA ARG A 123 26.352 -12.195 -11.575 1.00260.37 C ATOM 2080 C ARG A 123 25.182 -12.079 -12.556 1.00234.34 C ATOM 2081 O ARG A 123 25.308 -12.458 -13.722 1.00276.38 O ATOM 2082 CB ARG A 123 26.292 -13.557 -10.875 1.00316.55 C ATOM 2083 CG ARG A 123 27.572 -13.927 -10.143 1.00395.08 C ATOM 2084 CD ARG A 123 27.420 -15.232 -9.378 1.00495.61 C ATOM 2085 NE ARG A 123 27.163 -16.363 -10.266 1.00675.29 N ATOM 2086 CZ ARG A 123 26.835 -17.580 -9.840 1.00999.99 C ATOM 2087 NH1 ARG A 123 26.728 -17.823 -8.540 1.00999.99 N1+ ATOM 2088 NH2 ARG A 123 26.613 -18.553 -10.714 1.00999.99 N ATOM 0 H ARG A 123 26.146 -11.411 -9.635 1.00196.99 H new ATOM 0 HA ARG A 123 27.273 -12.106 -12.151 1.00260.37 H new ATOM 0 HB2 ARG A 123 25.466 -13.554 -10.164 1.00316.55 H new ATOM 0 HB3 ARG A 123 26.072 -14.326 -11.615 1.00316.55 H new ATOM 0 HG2 ARG A 123 28.389 -14.017 -10.859 1.00395.08 H new ATOM 0 HG3 ARG A 123 27.841 -13.128 -9.452 1.00395.08 H new ATOM 0 HD2 ARG A 123 28.326 -15.422 -8.803 1.00495.61 H new ATOM 0 HD3 ARG A 123 26.602 -15.140 -8.663 1.00495.61 H new ATOM 0 HE ARG A 123 27.239 -16.211 -11.272 1.00675.29 H new ATOM 0 HH11 ARG A 123 26.897 -17.076 -7.866 1.00999.99 H new ATOM 0 HH12 ARG A 123 26.476 -18.756 -8.215 1.00999.99 H new ATOM 0 HH21 ARG A 123 26.694 -18.369 -11.714 1.00999.99 H new ATOM 0 HH22 ARG A 123 26.362 -19.486 -10.386 1.00999.99 H new ATOM 2102 N MET A 124 24.049 -11.565 -12.091 1.00186.25 N ATOM 2103 CA MET A 124 22.866 -11.445 -12.944 1.00179.69 C ATOM 2104 C MET A 124 22.836 -10.132 -13.721 1.00149.83 C ATOM 2105 O MET A 124 23.082 -9.062 -13.166 1.00138.38 O ATOM 2106 CB MET A 124 21.593 -11.567 -12.102 1.00184.23 C ATOM 2107 CG MET A 124 21.383 -12.948 -11.502 1.00219.81 C ATOM 2108 SD MET A 124 19.771 -13.126 -10.715 1.00303.00 S ATOM 2109 CE MET A 124 19.986 -12.104 -9.259 1.00385.68 C ATOM 0 H MET A 124 23.922 -11.227 -11.137 1.00186.25 H new ATOM 0 HA MET A 124 22.916 -12.257 -13.669 1.00179.69 H new ATOM 0 HB2 MET A 124 21.630 -10.833 -11.297 1.00184.23 H new ATOM 0 HB3 MET A 124 20.733 -11.316 -12.723 1.00184.23 H new ATOM 0 HG2 MET A 124 21.486 -13.699 -12.285 1.00219.81 H new ATOM 0 HG3 MET A 124 22.165 -13.144 -10.768 1.00219.81 H new ATOM 0 HE1 MET A 124 19.144 -12.252 -8.583 1.00385.68 H new ATOM 0 HE2 MET A 124 20.911 -12.381 -8.753 1.00385.68 H new ATOM 0 HE3 MET A 124 20.034 -11.056 -9.554 1.00385.68 H new ATOM 2119 N ARG A 125 22.552 -10.238 -15.023 1.00150.14 N ATOM 2120 CA ARG A 125 22.443 -9.073 -15.904 1.00134.69 C ATOM 2121 C ARG A 125 21.450 -8.055 -15.341 1.00112.74 C ATOM 2122 O ARG A 125 20.436 -8.440 -14.756 1.00109.40 O ATOM 2123 CB ARG A 125 22.003 -9.510 -17.306 1.00146.40 C ATOM 2124 CG ARG A 125 23.062 -10.301 -18.061 1.00210.37 C ATOM 2125 CD ARG A 125 24.261 -9.435 -18.414 1.00374.62 C ATOM 2126 NE ARG A 125 25.233 -10.154 -19.232 1.00500.03 N ATOM 2127 CZ ARG A 125 26.393 -9.637 -19.623 1.00766.96 C ATOM 2128 NH1 ARG A 125 26.722 -8.400 -19.271 1.00973.30 N1+ ATOM 2129 NH2 ARG A 125 27.224 -10.357 -20.367 1.00999.99 N ATOM 0 H ARG A 125 22.392 -11.129 -15.493 1.00150.14 H new ATOM 0 HA ARG A 125 23.424 -8.601 -15.967 1.00134.69 H new ATOM 0 HB2 ARG A 125 21.101 -10.116 -17.222 1.00146.40 H new ATOM 0 HB3 ARG A 125 21.740 -8.626 -17.887 1.00146.40 H new ATOM 0 HG2 ARG A 125 23.388 -11.145 -17.454 1.00210.37 H new ATOM 0 HG3 ARG A 125 22.629 -10.713 -18.973 1.00210.37 H new ATOM 0 HD2 ARG A 125 23.922 -8.548 -18.949 1.00374.62 H new ATOM 0 HD3 ARG A 125 24.742 -9.091 -17.498 1.00374.62 H new ATOM 0 HE ARG A 125 25.009 -11.107 -19.520 1.00500.03 H new ATOM 0 HH11 ARG A 125 26.084 -7.846 -18.700 1.00973.30 H new ATOM 0 HH12 ARG A 125 27.613 -8.004 -19.572 1.00973.30 H new ATOM 0 HH21 ARG A 125 26.972 -11.307 -20.639 1.00999.99 H new ATOM 0 HH22 ARG A 125 28.114 -9.960 -20.667 1.00999.99 H new ATOM 2143 N PRO A 126 21.703 -6.742 -15.541 1.00110.35 N ATOM 2144 CA PRO A 126 20.821 -5.675 -15.033 1.00104.28 C ATOM 2145 C PRO A 126 19.391 -5.785 -15.560 1.00 98.38 C ATOM 2146 O PRO A 126 18.441 -5.389 -14.887 1.00102.62 O ATOM 2147 CB PRO A 126 21.485 -4.384 -15.538 1.00117.82 C ATOM 2148 CG PRO A 126 22.396 -4.816 -16.637 1.00149.60 C ATOM 2149 CD PRO A 126 22.862 -6.195 -16.263 1.00128.99 C ATOM 0 HA PRO A 126 20.721 -5.722 -13.949 1.00104.28 H new ATOM 0 HB2 PRO A 126 20.741 -3.674 -15.900 1.00117.82 H new ATOM 0 HB3 PRO A 126 22.038 -3.888 -14.740 1.00117.82 H new ATOM 0 HG2 PRO A 126 21.876 -4.825 -17.595 1.00149.60 H new ATOM 0 HG3 PRO A 126 23.239 -4.132 -16.738 1.00149.60 H new ATOM 0 HD2 PRO A 126 23.110 -6.791 -17.141 1.00128.99 H new ATOM 0 HD3 PRO A 126 23.753 -6.165 -15.636 1.00128.99 H new ATOM 2157 N ALA A 127 19.249 -6.327 -16.767 1.00102.37 N ATOM 2158 CA ALA A 127 17.945 -6.527 -17.387 1.00111.34 C ATOM 2159 C ALA A 127 17.087 -7.495 -16.572 1.00122.44 C ATOM 2160 O ALA A 127 15.870 -7.340 -16.483 1.00147.02 O ATOM 2161 CB ALA A 127 18.114 -7.042 -18.809 1.00124.74 C ATOM 0 H ALA A 127 20.033 -6.639 -17.340 1.00102.37 H new ATOM 0 HA ALA A 127 17.433 -5.565 -17.415 1.00111.34 H new ATOM 0 HB1 ALA A 127 17.133 -7.188 -19.262 1.00124.74 H new ATOM 0 HB2 ALA A 127 18.680 -6.317 -19.394 1.00124.74 H new ATOM 0 HB3 ALA A 127 18.650 -7.991 -18.791 1.00124.74 H new ATOM 2167 N ASP A 128 17.734 -8.502 -15.987 1.00119.66 N ATOM 2168 CA ASP A 128 17.033 -9.520 -15.205 1.00143.76 C ATOM 2169 C ASP A 128 16.958 -9.169 -13.718 1.00139.80 C ATOM 2170 O ASP A 128 16.416 -9.943 -12.929 1.00168.58 O ATOM 2171 CB ASP A 128 17.710 -10.883 -15.372 1.00162.48 C ATOM 2172 CG ASP A 128 17.703 -11.370 -16.807 1.00236.45 C ATOM 2173 OD1 ASP A 128 16.632 -11.325 -17.447 1.00277.81 O ATOM 2174 OD2 ASP A 128 18.774 -11.793 -17.294 1.00360.37 O1- ATOM 0 H ASP A 128 18.744 -8.635 -16.040 1.00119.66 H new ATOM 0 HA ASP A 128 16.014 -9.561 -15.589 1.00143.76 H new ATOM 0 HB2 ASP A 128 18.740 -10.818 -15.020 1.00162.48 H new ATOM 0 HB3 ASP A 128 17.204 -11.615 -14.742 1.00162.48 H new ATOM 2179 N VAL A 129 17.508 -8.021 -13.329 1.00120.14 N ATOM 2180 CA VAL A 129 17.476 -7.610 -11.926 1.00130.04 C ATOM 2181 C VAL A 129 16.147 -6.933 -11.584 1.00125.41 C ATOM 2182 O VAL A 129 15.816 -5.882 -12.133 1.00112.69 O ATOM 2183 CB VAL A 129 18.645 -6.655 -11.576 1.00135.68 C ATOM 2184 CG1 VAL A 129 18.585 -6.235 -10.113 1.00183.43 C ATOM 2185 CG2 VAL A 129 19.981 -7.313 -11.879 1.00187.93 C ATOM 0 H VAL A 129 17.976 -7.366 -13.956 1.00120.14 H new ATOM 0 HA VAL A 129 17.584 -8.517 -11.331 1.00130.04 H new ATOM 0 HB VAL A 129 18.547 -5.762 -12.194 1.00135.68 H new ATOM 0 HG11 VAL A 129 19.416 -5.565 -9.892 1.00183.43 H new ATOM 0 HG12 VAL A 129 17.643 -5.721 -9.920 1.00183.43 H new ATOM 0 HG13 VAL A 129 18.653 -7.118 -9.478 1.00183.43 H new ATOM 0 HG21 VAL A 129 20.790 -6.627 -11.627 1.00187.93 H new ATOM 0 HG22 VAL A 129 20.080 -8.224 -11.289 1.00187.93 H new ATOM 0 HG23 VAL A 129 20.033 -7.561 -12.939 1.00187.93 H new ATOM 2195 N PRO A 130 15.366 -7.543 -10.672 1.00153.16 N ATOM 2196 CA PRO A 130 14.068 -7.004 -10.248 1.00165.65 C ATOM 2197 C PRO A 130 14.205 -5.784 -9.338 1.00148.60 C ATOM 2198 O PRO A 130 15.230 -5.598 -8.680 1.00149.75 O ATOM 2199 CB PRO A 130 13.439 -8.175 -9.491 1.00213.33 C ATOM 2200 CG PRO A 130 14.600 -8.935 -8.952 1.00265.39 C ATOM 2201 CD PRO A 130 15.685 -8.814 -9.986 1.00195.88 C ATOM 0 HA PRO A 130 13.475 -6.652 -11.092 1.00165.65 H new ATOM 0 HB2 PRO A 130 12.787 -7.826 -8.691 1.00213.33 H new ATOM 0 HB3 PRO A 130 12.831 -8.794 -10.151 1.00213.33 H new ATOM 0 HG2 PRO A 130 14.925 -8.526 -7.995 1.00265.39 H new ATOM 0 HG3 PRO A 130 14.338 -9.979 -8.780 1.00265.39 H new ATOM 0 HD2 PRO A 130 16.674 -8.786 -9.529 1.00195.88 H new ATOM 0 HD3 PRO A 130 15.677 -9.657 -10.677 1.00195.88 H new ATOM 2209 N VAL A 131 13.163 -4.960 -9.303 1.00152.18 N ATOM 2210 CA VAL A 131 13.154 -3.760 -8.472 1.00147.96 C ATOM 2211 C VAL A 131 11.881 -3.700 -7.630 1.00172.15 C ATOM 2212 O VAL A 131 10.886 -4.362 -7.944 1.00211.66 O ATOM 2213 CB VAL A 131 13.283 -2.468 -9.316 1.00167.12 C ATOM 2214 CG1 VAL A 131 14.650 -2.396 -9.982 1.00246.78 C ATOM 2215 CG2 VAL A 131 12.178 -2.390 -10.364 1.00227.19 C ATOM 0 H VAL A 131 12.309 -5.102 -9.843 1.00152.18 H new ATOM 0 HA VAL A 131 14.022 -3.820 -7.815 1.00147.96 H new ATOM 0 HB VAL A 131 13.179 -1.616 -8.645 1.00167.12 H new ATOM 0 HG11 VAL A 131 14.720 -1.481 -10.570 1.00246.78 H new ATOM 0 HG12 VAL A 131 15.427 -2.397 -9.218 1.00246.78 H new ATOM 0 HG13 VAL A 131 14.782 -3.258 -10.635 1.00246.78 H new ATOM 0 HG21 VAL A 131 12.290 -1.474 -10.944 1.00227.19 H new ATOM 0 HG22 VAL A 131 12.246 -3.251 -11.029 1.00227.19 H new ATOM 0 HG23 VAL A 131 11.207 -2.389 -9.869 1.00227.19 H new ATOM 2225 N LYS A 132 11.915 -2.918 -6.556 1.00176.59 N ATOM 2226 CA LYS A 132 10.760 -2.790 -5.674 1.00221.54 C ATOM 2227 C LYS A 132 10.242 -1.356 -5.635 1.00177.73 C ATOM 2228 O LYS A 132 11.018 -0.404 -5.545 1.00160.46 O ATOM 2229 CB LYS A 132 11.117 -3.240 -4.254 1.00322.36 C ATOM 2230 CG LYS A 132 11.538 -4.698 -4.156 1.00501.64 C ATOM 2231 CD LYS A 132 11.793 -5.114 -2.712 1.00646.40 C ATOM 2232 CE LYS A 132 12.990 -4.384 -2.116 1.00938.49 C ATOM 2233 NZ LYS A 132 14.251 -4.692 -2.845 1.00999.99 N1+ ATOM 0 H LYS A 132 12.726 -2.366 -6.276 1.00176.59 H new ATOM 0 HA LYS A 132 9.974 -3.431 -6.073 1.00221.54 H new ATOM 0 HB2 LYS A 132 11.925 -2.613 -3.877 1.00322.36 H new ATOM 0 HB3 LYS A 132 10.257 -3.076 -3.605 1.00322.36 H new ATOM 0 HG2 LYS A 132 10.761 -5.331 -4.586 1.00501.64 H new ATOM 0 HG3 LYS A 132 12.441 -4.857 -4.746 1.00501.64 H new ATOM 0 HD2 LYS A 132 10.906 -4.908 -2.112 1.00646.40 H new ATOM 0 HD3 LYS A 132 11.965 -6.190 -2.668 1.00646.40 H new ATOM 0 HE2 LYS A 132 12.809 -3.309 -2.143 1.00938.49 H new ATOM 0 HE3 LYS A 132 13.100 -4.663 -1.068 1.00938.49 H new ATOM 0 HZ1 LYS A 132 15.065 -4.376 -2.280 1.00999.99 H new ATOM 0 HZ2 LYS A 132 14.318 -5.717 -3.005 1.00999.99 H new ATOM 0 HZ3 LYS A 132 14.252 -4.198 -3.760 1.00999.99 H new ATOM 2247 N TYR A 133 8.924 -1.215 -5.707 1.00198.47 N ATOM 2248 CA TYR A 133 8.280 0.092 -5.662 1.00193.72 C ATOM 2249 C TYR A 133 8.085 0.539 -4.213 1.00206.40 C ATOM 2250 O TYR A 133 8.204 -0.268 -3.290 1.00307.93 O ATOM 2251 CB TYR A 133 6.939 0.053 -6.407 1.00262.32 C ATOM 2252 CG TYR A 133 7.089 -0.168 -7.898 1.00288.85 C ATOM 2253 CD1 TYR A 133 7.030 -1.446 -8.443 1.00366.86 C ATOM 2254 CD2 TYR A 133 7.301 0.901 -8.760 1.00322.38 C ATOM 2255 CE1 TYR A 133 7.175 -1.649 -9.802 1.00427.35 C ATOM 2256 CE2 TYR A 133 7.444 0.704 -10.120 1.00378.39 C ATOM 2257 CZ TYR A 133 7.382 -0.572 -10.636 1.00405.19 C ATOM 2258 OH TYR A 133 7.530 -0.770 -11.990 1.00495.41 O ATOM 0 H TYR A 133 8.276 -1.997 -5.798 1.00198.47 H new ATOM 0 HA TYR A 133 8.925 0.817 -6.159 1.00193.72 H new ATOM 0 HB2 TYR A 133 6.322 -0.742 -5.989 1.00262.32 H new ATOM 0 HB3 TYR A 133 6.409 0.990 -6.237 1.00262.32 H new ATOM 0 HD1 TYR A 133 6.868 -2.294 -7.794 1.00366.86 H new ATOM 0 HD2 TYR A 133 7.355 1.903 -8.360 1.00322.38 H new ATOM 0 HE1 TYR A 133 7.126 -2.648 -10.209 1.00427.35 H new ATOM 0 HE2 TYR A 133 7.604 1.547 -10.776 1.00378.39 H new ATOM 0 HH TYR A 133 7.667 0.093 -12.434 1.00495.41 H new ATOM 2268 N MET A 134 7.785 1.818 -4.011 1.00190.99 N ATOM 2269 CA MET A 134 7.594 2.348 -2.663 1.00213.99 C ATOM 2270 C MET A 134 6.243 1.923 -2.092 1.00260.47 C ATOM 2271 O MET A 134 5.210 2.397 -2.608 1.00435.79 O ATOM 2272 CB MET A 134 7.690 3.878 -2.665 1.00301.25 C ATOM 2273 CG MET A 134 8.982 4.412 -2.069 1.00435.87 C ATOM 2274 SD MET A 134 8.988 6.210 -1.936 1.00688.60 S ATOM 2275 CE MET A 134 10.457 6.480 -0.950 1.00761.34 C ATOM 2276 OXT MET A 134 6.231 1.122 -1.134 1.00367.68 O ATOM 0 H MET A 134 7.669 2.504 -4.757 1.00190.99 H new ATOM 0 HA MET A 134 8.385 1.940 -2.034 1.00213.99 H new ATOM 0 HB2 MET A 134 7.598 4.237 -3.690 1.00301.25 H new ATOM 0 HB3 MET A 134 6.847 4.286 -2.107 1.00301.25 H new ATOM 0 HG2 MET A 134 9.130 3.977 -1.080 1.00435.87 H new ATOM 0 HG3 MET A 134 9.822 4.094 -2.686 1.00435.87 H new ATOM 0 HE1 MET A 134 10.219 7.139 -0.115 1.00761.34 H new ATOM 0 HE2 MET A 134 10.818 5.526 -0.567 1.00761.34 H new ATOM 0 HE3 MET A 134 11.230 6.940 -1.566 1.00761.34 H new TER 2286 MET A 134