USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 855 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 29 SER OG : rot 89:sc= -0.265 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 155:sc= -0.127 (180deg=-0.632) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc=-0.00456 (180deg=-0.0808) USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= -0.0533 (180deg=-0.309) USER MOD Single : A 41 MET CE :methyl 152:sc= -1.87 (180deg=-2.48) USER MOD Single : A 44 LYS NZ :NH3+ -169:sc=-0.00513 (180deg=-0.155) USER MOD Single : A 46 ASN :FLIP amide:sc=-0.00123 F(o=-1.1,f=-0.0012) USER MOD Single : A 51 THR OG1 : rot 52:sc= 0.0519 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.813 F(o=-2.1,f=-0.81) USER MOD Single : A 69 LYS NZ :NH3+ 171:sc= -0.0155 (180deg=-0.132) USER MOD Single : A 75 LYS NZ :NH3+ 136:sc= 0.855 (180deg=0.0434) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.688 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 76:sc= 0.148 USER MOD Single : A 91 LYS NZ :NH3+ -165:sc= -0.0459 (180deg=-0.261) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -179:sc= 2.1 (180deg=2) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= 0.771 K(o=0.77,f=-3.5!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 16:sc= 1.24 USER MOD Single : A 111 SER OG : rot -125:sc= 1.22 USER MOD Single : A 116 LYS NZ :NH3+ -166:sc= 1.19 (180deg=0.897) USER MOD Single : A 120 LYS NZ :NH3+ -170:sc= -0.0139 (180deg=-0.118) USER MOD Single : A 123 SER OG : rot 66:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 17 N ARG A 22 2.827 -13.672 0.053 1.00 0.88 N ATOM 18 CA ARG A 22 3.000 -12.589 -0.904 1.00 0.73 C ATOM 19 C ARG A 22 2.936 -11.242 -0.206 1.00 0.55 C ATOM 20 O ARG A 22 1.986 -10.956 0.523 1.00 0.56 O ATOM 21 CB ARG A 22 1.942 -12.657 -2.007 1.00 0.86 C ATOM 22 CG ARG A 22 2.114 -13.836 -2.947 1.00 1.33 C ATOM 23 CD ARG A 22 3.428 -13.757 -3.708 1.00 1.33 C ATOM 24 NE ARG A 22 3.619 -14.908 -4.585 1.00 1.91 N ATOM 25 CZ ARG A 22 4.611 -15.023 -5.465 1.00 2.43 C ATOM 26 NH1 ARG A 22 5.503 -14.046 -5.603 1.00 2.62 N ATOM 27 NH2 ARG A 22 4.705 -16.115 -6.209 1.00 3.31 N ATOM 0 HA ARG A 22 3.983 -12.703 -1.361 1.00 0.73 H new ATOM 0 HB2 ARG A 22 0.955 -12.711 -1.548 1.00 0.86 H new ATOM 0 HB3 ARG A 22 1.974 -11.734 -2.586 1.00 0.86 H new ATOM 0 HG2 ARG A 22 2.078 -14.765 -2.377 1.00 1.33 H new ATOM 0 HG3 ARG A 22 1.285 -13.863 -3.654 1.00 1.33 H new ATOM 0 HD2 ARG A 22 3.450 -12.842 -4.300 1.00 1.33 H new ATOM 0 HD3 ARG A 22 4.255 -13.699 -3.000 1.00 1.33 H new ATOM 0 HE ARG A 22 2.949 -15.674 -4.519 1.00 1.91 H new ATOM 0 HH11 ARG A 22 5.429 -13.203 -5.033 1.00 2.62 H new ATOM 0 HH12 ARG A 22 6.261 -14.139 -6.279 1.00 2.62 H new ATOM 0 HH21 ARG A 22 4.019 -16.863 -6.106 1.00 3.31 H new ATOM 0 HH22 ARG A 22 5.463 -16.208 -6.885 1.00 3.31 H new ATOM 41 N LEU A 23 3.958 -10.431 -0.421 1.00 0.51 N ATOM 42 CA LEU A 23 4.008 -9.094 0.144 1.00 0.43 C ATOM 43 C LEU A 23 3.857 -8.063 -0.965 1.00 0.37 C ATOM 44 O LEU A 23 4.778 -7.838 -1.756 1.00 0.40 O ATOM 45 CB LEU A 23 5.322 -8.882 0.899 1.00 0.58 C ATOM 46 CG LEU A 23 5.557 -9.827 2.081 1.00 1.05 C ATOM 47 CD1 LEU A 23 6.876 -9.505 2.766 1.00 1.76 C ATOM 48 CD2 LEU A 23 4.409 -9.745 3.075 1.00 1.55 C ATOM 0 H LEU A 23 4.770 -10.678 -0.987 1.00 0.51 H new ATOM 0 HA LEU A 23 3.187 -8.976 0.851 1.00 0.43 H new ATOM 0 HB2 LEU A 23 6.148 -8.993 0.196 1.00 0.58 H new ATOM 0 HB3 LEU A 23 5.351 -7.855 1.264 1.00 0.58 H new ATOM 0 HG LEU A 23 5.604 -10.846 1.697 1.00 1.05 H new ATOM 0 HD11 LEU A 23 7.027 -10.186 3.604 1.00 1.76 H new ATOM 0 HD12 LEU A 23 7.693 -9.619 2.054 1.00 1.76 H new ATOM 0 HD13 LEU A 23 6.855 -8.479 3.132 1.00 1.76 H new ATOM 0 HD21 LEU A 23 4.598 -10.425 3.906 1.00 1.55 H new ATOM 0 HD22 LEU A 23 4.326 -8.726 3.452 1.00 1.55 H new ATOM 0 HD23 LEU A 23 3.479 -10.026 2.581 1.00 1.55 H new ATOM 60 N VAL A 24 2.687 -7.454 -1.027 1.00 0.35 N ATOM 61 CA VAL A 24 2.372 -6.506 -2.081 1.00 0.37 C ATOM 62 C VAL A 24 2.170 -5.119 -1.489 1.00 0.38 C ATOM 63 O VAL A 24 1.662 -4.986 -0.378 1.00 0.42 O ATOM 64 CB VAL A 24 1.098 -6.929 -2.843 1.00 0.42 C ATOM 65 CG1 VAL A 24 0.861 -6.038 -4.053 1.00 0.46 C ATOM 66 CG2 VAL A 24 1.181 -8.389 -3.260 1.00 0.45 C ATOM 0 H VAL A 24 1.934 -7.600 -0.355 1.00 0.35 H new ATOM 0 HA VAL A 24 3.207 -6.489 -2.781 1.00 0.37 H new ATOM 0 HB VAL A 24 0.250 -6.811 -2.168 1.00 0.42 H new ATOM 0 HG11 VAL A 24 -0.043 -6.360 -4.570 1.00 0.46 H new ATOM 0 HG12 VAL A 24 0.744 -5.005 -3.727 1.00 0.46 H new ATOM 0 HG13 VAL A 24 1.712 -6.111 -4.730 1.00 0.46 H new ATOM 0 HG21 VAL A 24 0.273 -8.667 -3.796 1.00 0.45 H new ATOM 0 HG22 VAL A 24 2.044 -8.533 -3.910 1.00 0.45 H new ATOM 0 HG23 VAL A 24 1.285 -9.015 -2.374 1.00 0.45 H new ATOM 76 N VAL A 25 2.587 -4.094 -2.214 1.00 0.39 N ATOM 77 CA VAL A 25 2.407 -2.722 -1.761 1.00 0.41 C ATOM 78 C VAL A 25 1.847 -1.860 -2.886 1.00 0.39 C ATOM 79 O VAL A 25 2.474 -1.714 -3.935 1.00 0.42 O ATOM 80 CB VAL A 25 3.735 -2.098 -1.265 1.00 0.46 C ATOM 81 CG1 VAL A 25 3.500 -0.696 -0.721 1.00 0.51 C ATOM 82 CG2 VAL A 25 4.396 -2.973 -0.208 1.00 0.52 C ATOM 0 H VAL A 25 3.052 -4.184 -3.117 1.00 0.39 H new ATOM 0 HA VAL A 25 1.705 -2.752 -0.927 1.00 0.41 H new ATOM 0 HB VAL A 25 4.410 -2.032 -2.119 1.00 0.46 H new ATOM 0 HG11 VAL A 25 4.445 -0.276 -0.378 1.00 0.51 H new ATOM 0 HG12 VAL A 25 3.087 -0.065 -1.508 1.00 0.51 H new ATOM 0 HG13 VAL A 25 2.799 -0.742 0.113 1.00 0.51 H new ATOM 0 HG21 VAL A 25 5.326 -2.508 0.120 1.00 0.52 H new ATOM 0 HG22 VAL A 25 3.725 -3.084 0.644 1.00 0.52 H new ATOM 0 HG23 VAL A 25 4.611 -3.955 -0.631 1.00 0.52 H new ATOM 92 N LEU A 26 0.664 -1.302 -2.670 1.00 0.40 N ATOM 93 CA LEU A 26 0.092 -0.350 -3.612 1.00 0.38 C ATOM 94 C LEU A 26 0.179 1.050 -3.030 1.00 0.37 C ATOM 95 O LEU A 26 -0.344 1.316 -1.950 1.00 0.48 O ATOM 96 CB LEU A 26 -1.368 -0.678 -3.961 1.00 0.46 C ATOM 97 CG LEU A 26 -1.588 -1.925 -4.823 1.00 0.56 C ATOM 98 CD1 LEU A 26 -1.825 -3.159 -3.969 1.00 1.15 C ATOM 99 CD2 LEU A 26 -2.749 -1.705 -5.774 1.00 1.33 C ATOM 0 H LEU A 26 0.083 -1.491 -1.853 1.00 0.40 H new ATOM 0 HA LEU A 26 0.667 -0.413 -4.536 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -1.924 -0.800 -3.032 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -1.798 0.179 -4.480 1.00 0.46 H new ATOM 0 HG LEU A 26 -0.681 -2.096 -5.403 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -1.977 -4.024 -4.614 1.00 1.15 H new ATOM 0 HD12 LEU A 26 -0.959 -3.331 -3.330 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -2.709 -3.008 -3.350 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -2.896 -2.598 -6.382 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -3.654 -1.502 -5.202 1.00 1.33 H new ATOM 0 HD23 LEU A 26 -2.532 -0.856 -6.423 1.00 1.33 H new ATOM 111 N ILE A 27 0.857 1.935 -3.738 1.00 0.33 N ATOM 112 CA ILE A 27 1.062 3.297 -3.263 1.00 0.36 C ATOM 113 C ILE A 27 0.190 4.285 -4.035 1.00 0.39 C ATOM 114 O ILE A 27 0.273 4.386 -5.262 1.00 0.40 O ATOM 115 CB ILE A 27 2.558 3.705 -3.360 1.00 0.44 C ATOM 116 CG1 ILE A 27 2.751 5.220 -3.187 1.00 0.93 C ATOM 117 CG2 ILE A 27 3.155 3.243 -4.676 1.00 1.32 C ATOM 118 CD1 ILE A 27 2.432 5.734 -1.801 1.00 1.36 C ATOM 0 H ILE A 27 1.277 1.737 -4.646 1.00 0.33 H new ATOM 0 HA ILE A 27 0.767 3.327 -2.214 1.00 0.36 H new ATOM 0 HB ILE A 27 3.082 3.211 -2.542 1.00 0.44 H new ATOM 0 HG12 ILE A 27 3.784 5.472 -3.427 1.00 0.93 H new ATOM 0 HG13 ILE A 27 2.120 5.739 -3.908 1.00 0.93 H new ATOM 0 HG21 ILE A 27 4.203 3.539 -4.724 1.00 1.32 H new ATOM 0 HG22 ILE A 27 3.080 2.158 -4.748 1.00 1.32 H new ATOM 0 HG23 ILE A 27 2.611 3.700 -5.503 1.00 1.32 H new ATOM 0 HD11 ILE A 27 2.595 6.811 -1.766 1.00 1.36 H new ATOM 0 HD12 ILE A 27 1.391 5.516 -1.563 1.00 1.36 H new ATOM 0 HD13 ILE A 27 3.080 5.245 -1.074 1.00 1.36 H new ATOM 130 N VAL A 28 -0.661 4.996 -3.306 1.00 0.48 N ATOM 131 CA VAL A 28 -1.480 6.040 -3.895 1.00 0.56 C ATOM 132 C VAL A 28 -0.851 7.395 -3.618 1.00 0.86 C ATOM 133 O VAL A 28 -1.046 7.977 -2.547 1.00 1.37 O ATOM 134 CB VAL A 28 -2.912 6.034 -3.316 1.00 0.77 C ATOM 135 CG1 VAL A 28 -3.783 7.073 -4.007 1.00 1.12 C ATOM 136 CG2 VAL A 28 -3.531 4.653 -3.431 1.00 1.17 C ATOM 0 H VAL A 28 -0.800 4.866 -2.304 1.00 0.48 H new ATOM 0 HA VAL A 28 -1.537 5.852 -4.967 1.00 0.56 H new ATOM 0 HB VAL A 28 -2.850 6.295 -2.259 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -4.786 7.048 -3.581 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -3.352 8.064 -3.863 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -3.836 6.852 -5.073 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -4.539 4.671 -3.017 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -3.574 4.360 -4.480 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -2.925 3.935 -2.878 1.00 1.17 H new ATOM 146 N SER A 29 -0.077 7.877 -4.576 1.00 0.85 N ATOM 147 CA SER A 29 0.517 9.196 -4.491 1.00 1.25 C ATOM 148 C SER A 29 1.221 9.520 -5.798 1.00 0.83 C ATOM 149 O SER A 29 1.670 8.614 -6.500 1.00 1.53 O ATOM 150 CB SER A 29 1.513 9.264 -3.327 1.00 2.38 C ATOM 151 OG SER A 29 1.882 10.604 -3.042 1.00 3.23 O ATOM 0 H SER A 29 0.155 7.367 -5.428 1.00 0.85 H new ATOM 0 HA SER A 29 -0.271 9.928 -4.312 1.00 1.25 H new ATOM 0 HB2 SER A 29 1.071 8.810 -2.440 1.00 2.38 H new ATOM 0 HB3 SER A 29 2.403 8.684 -3.572 1.00 2.38 H new ATOM 0 HG SER A 29 1.256 10.984 -2.391 1.00 3.23 H new ATOM 157 N ASN A 30 1.308 10.795 -6.136 1.00 1.19 N ATOM 158 CA ASN A 30 2.143 11.205 -7.248 1.00 1.67 C ATOM 159 C ASN A 30 3.306 12.030 -6.723 1.00 1.19 C ATOM 160 O ASN A 30 3.264 13.262 -6.707 1.00 1.38 O ATOM 161 CB ASN A 30 1.338 12.010 -8.275 1.00 2.93 C ATOM 162 CG ASN A 30 0.341 11.157 -9.036 1.00 3.86 C ATOM 163 OD1 ASN A 30 -0.812 10.999 -8.623 1.00 4.32 O ATOM 164 ND2 ASN A 30 0.774 10.604 -10.160 1.00 4.58 N ATOM 0 H ASN A 30 0.817 11.554 -5.663 1.00 1.19 H new ATOM 0 HA ASN A 30 2.523 10.315 -7.750 1.00 1.67 H new ATOM 0 HB2 ASN A 30 0.807 12.814 -7.765 1.00 2.93 H new ATOM 0 HB3 ASN A 30 2.023 12.478 -8.982 1.00 2.93 H new ATOM 0 HD21 ASN A 30 0.147 10.024 -10.717 1.00 4.58 H new ATOM 0 HD22 ASN A 30 1.734 10.759 -10.468 1.00 4.58 H new ATOM 171 N ASP A 31 4.332 11.328 -6.275 1.00 1.45 N ATOM 172 CA ASP A 31 5.561 11.947 -5.809 1.00 1.18 C ATOM 173 C ASP A 31 6.733 11.350 -6.571 1.00 0.94 C ATOM 174 O ASP A 31 6.610 10.264 -7.131 1.00 1.28 O ATOM 175 CB ASP A 31 5.734 11.723 -4.304 1.00 1.61 C ATOM 176 CG ASP A 31 6.817 12.595 -3.699 1.00 1.74 C ATOM 177 OD1 ASP A 31 7.993 12.179 -3.688 1.00 2.03 O ATOM 178 OD2 ASP A 31 6.492 13.703 -3.219 1.00 2.29 O ATOM 0 H ASP A 31 4.337 10.309 -6.224 1.00 1.45 H new ATOM 0 HA ASP A 31 5.519 13.021 -5.988 1.00 1.18 H new ATOM 0 HB2 ASP A 31 4.788 11.925 -3.801 1.00 1.61 H new ATOM 0 HB3 ASP A 31 5.974 10.675 -4.123 1.00 1.61 H new ATOM 183 N LYS A 32 7.855 12.038 -6.612 1.00 0.79 N ATOM 184 CA LYS A 32 9.042 11.469 -7.225 1.00 0.82 C ATOM 185 C LYS A 32 9.872 10.734 -6.182 1.00 0.66 C ATOM 186 O LYS A 32 9.977 9.509 -6.216 1.00 0.68 O ATOM 187 CB LYS A 32 9.882 12.550 -7.913 1.00 1.24 C ATOM 188 CG LYS A 32 9.157 13.304 -9.025 1.00 1.77 C ATOM 189 CD LYS A 32 8.925 12.442 -10.268 1.00 2.22 C ATOM 190 CE LYS A 32 7.611 11.670 -10.212 1.00 3.17 C ATOM 191 NZ LYS A 32 6.433 12.573 -10.129 1.00 3.77 N ATOM 0 H LYS A 32 7.972 12.978 -6.235 1.00 0.79 H new ATOM 0 HA LYS A 32 8.723 10.758 -7.987 1.00 0.82 H new ATOM 0 HB2 LYS A 32 10.214 13.267 -7.162 1.00 1.24 H new ATOM 0 HB3 LYS A 32 10.777 12.087 -8.329 1.00 1.24 H new ATOM 0 HG2 LYS A 32 8.197 13.661 -8.651 1.00 1.77 H new ATOM 0 HG3 LYS A 32 9.738 14.184 -9.301 1.00 1.77 H new ATOM 0 HD2 LYS A 32 8.930 13.079 -11.153 1.00 2.22 H new ATOM 0 HD3 LYS A 32 9.751 11.739 -10.377 1.00 2.22 H new ATOM 0 HE2 LYS A 32 7.523 11.041 -11.098 1.00 3.17 H new ATOM 0 HE3 LYS A 32 7.619 11.005 -9.348 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 5.595 12.087 -10.508 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 6.263 12.832 -9.136 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 6.615 13.433 -10.685 1.00 3.77 H new ATOM 205 N LYS A 33 10.390 11.484 -5.219 1.00 0.71 N ATOM 206 CA LYS A 33 11.354 10.961 -4.254 1.00 0.75 C ATOM 207 C LYS A 33 10.751 9.856 -3.391 1.00 0.68 C ATOM 208 O LYS A 33 11.435 8.896 -3.026 1.00 0.78 O ATOM 209 CB LYS A 33 11.866 12.088 -3.355 1.00 0.95 C ATOM 210 CG LYS A 33 12.398 13.289 -4.119 1.00 1.45 C ATOM 211 CD LYS A 33 13.025 14.309 -3.185 1.00 1.86 C ATOM 212 CE LYS A 33 13.379 15.596 -3.912 1.00 2.71 C ATOM 213 NZ LYS A 33 14.268 15.360 -5.083 1.00 3.23 N ATOM 0 H LYS A 33 10.157 12.468 -5.083 1.00 0.71 H new ATOM 0 HA LYS A 33 12.182 10.535 -4.820 1.00 0.75 H new ATOM 0 HB2 LYS A 33 11.057 12.414 -2.701 1.00 0.95 H new ATOM 0 HB3 LYS A 33 12.656 11.698 -2.714 1.00 0.95 H new ATOM 0 HG2 LYS A 33 13.138 12.959 -4.849 1.00 1.45 H new ATOM 0 HG3 LYS A 33 11.586 13.756 -4.677 1.00 1.45 H new ATOM 0 HD2 LYS A 33 12.335 14.529 -2.371 1.00 1.86 H new ATOM 0 HD3 LYS A 33 13.923 13.886 -2.735 1.00 1.86 H new ATOM 0 HE2 LYS A 33 12.464 16.085 -4.247 1.00 2.71 H new ATOM 0 HE3 LYS A 33 13.870 16.279 -3.218 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 14.591 16.273 -5.464 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 15.091 14.798 -4.786 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 13.744 14.844 -5.818 1.00 3.23 H new ATOM 227 N LEU A 34 9.476 9.996 -3.057 1.00 0.61 N ATOM 228 CA LEU A 34 8.795 9.016 -2.224 1.00 0.64 C ATOM 229 C LEU A 34 8.646 7.702 -2.984 1.00 0.53 C ATOM 230 O LEU A 34 9.010 6.636 -2.483 1.00 0.62 O ATOM 231 CB LEU A 34 7.421 9.558 -1.789 1.00 0.70 C ATOM 232 CG LEU A 34 6.732 8.835 -0.620 1.00 0.82 C ATOM 233 CD1 LEU A 34 6.121 7.513 -1.063 1.00 1.39 C ATOM 234 CD2 LEU A 34 7.716 8.608 0.515 1.00 1.38 C ATOM 0 H LEU A 34 8.892 10.779 -3.350 1.00 0.61 H new ATOM 0 HA LEU A 34 9.388 8.830 -1.329 1.00 0.64 H new ATOM 0 HB2 LEU A 34 7.539 10.607 -1.518 1.00 0.70 H new ATOM 0 HB3 LEU A 34 6.754 9.525 -2.650 1.00 0.70 H new ATOM 0 HG LEU A 34 5.923 9.473 -0.265 1.00 0.82 H new ATOM 0 HD11 LEU A 34 5.643 7.030 -0.211 1.00 1.39 H new ATOM 0 HD12 LEU A 34 5.379 7.697 -1.840 1.00 1.39 H new ATOM 0 HD13 LEU A 34 6.904 6.864 -1.456 1.00 1.39 H new ATOM 0 HD21 LEU A 34 7.213 8.095 1.335 1.00 1.38 H new ATOM 0 HD22 LEU A 34 8.546 7.998 0.160 1.00 1.38 H new ATOM 0 HD23 LEU A 34 8.095 9.568 0.865 1.00 1.38 H new ATOM 246 N ILE A 35 8.136 7.792 -4.205 1.00 0.43 N ATOM 247 CA ILE A 35 7.886 6.612 -5.016 1.00 0.43 C ATOM 248 C ILE A 35 9.189 5.909 -5.388 1.00 0.46 C ATOM 249 O ILE A 35 9.264 4.681 -5.352 1.00 0.52 O ATOM 250 CB ILE A 35 7.084 6.964 -6.291 1.00 0.47 C ATOM 251 CG1 ILE A 35 5.661 7.386 -5.910 1.00 0.57 C ATOM 252 CG2 ILE A 35 7.053 5.788 -7.261 1.00 0.61 C ATOM 253 CD1 ILE A 35 4.768 7.682 -7.098 1.00 0.97 C ATOM 0 H ILE A 35 7.887 8.673 -4.655 1.00 0.43 H new ATOM 0 HA ILE A 35 7.287 5.929 -4.414 1.00 0.43 H new ATOM 0 HB ILE A 35 7.579 7.795 -6.793 1.00 0.47 H new ATOM 0 HG12 ILE A 35 5.206 6.595 -5.314 1.00 0.57 H new ATOM 0 HG13 ILE A 35 5.713 8.272 -5.277 1.00 0.57 H new ATOM 0 HG21 ILE A 35 6.483 6.063 -8.148 1.00 0.61 H new ATOM 0 HG22 ILE A 35 8.071 5.528 -7.550 1.00 0.61 H new ATOM 0 HG23 ILE A 35 6.583 4.931 -6.779 1.00 0.61 H new ATOM 0 HD11 ILE A 35 3.779 7.973 -6.746 1.00 0.97 H new ATOM 0 HD12 ILE A 35 5.199 8.494 -7.683 1.00 0.97 H new ATOM 0 HD13 ILE A 35 4.684 6.791 -7.721 1.00 0.97 H new ATOM 265 N GLU A 36 10.217 6.689 -5.718 1.00 0.51 N ATOM 266 CA GLU A 36 11.514 6.130 -6.087 1.00 0.62 C ATOM 267 C GLU A 36 12.052 5.225 -4.985 1.00 0.63 C ATOM 268 O GLU A 36 12.363 4.058 -5.223 1.00 0.64 O ATOM 269 CB GLU A 36 12.529 7.240 -6.366 1.00 0.79 C ATOM 270 CG GLU A 36 12.180 8.109 -7.562 1.00 0.87 C ATOM 271 CD GLU A 36 13.203 9.197 -7.804 1.00 1.64 C ATOM 272 OE1 GLU A 36 13.863 9.171 -8.867 1.00 2.22 O ATOM 273 OE2 GLU A 36 13.372 10.073 -6.930 1.00 2.42 O ATOM 0 H GLU A 36 10.176 7.708 -5.737 1.00 0.51 H new ATOM 0 HA GLU A 36 11.368 5.542 -6.993 1.00 0.62 H new ATOM 0 HB2 GLU A 36 12.613 7.872 -5.482 1.00 0.79 H new ATOM 0 HB3 GLU A 36 13.508 6.790 -6.530 1.00 0.79 H new ATOM 0 HG2 GLU A 36 12.102 7.484 -8.451 1.00 0.87 H new ATOM 0 HG3 GLU A 36 11.202 8.563 -7.404 1.00 0.87 H new ATOM 280 N GLU A 37 12.139 5.763 -3.775 1.00 0.68 N ATOM 281 CA GLU A 37 12.725 5.032 -2.659 1.00 0.77 C ATOM 282 C GLU A 37 11.858 3.840 -2.263 1.00 0.71 C ATOM 283 O GLU A 37 12.375 2.750 -2.015 1.00 0.79 O ATOM 284 CB GLU A 37 12.946 5.964 -1.467 1.00 0.91 C ATOM 285 CG GLU A 37 13.679 5.306 -0.309 1.00 1.41 C ATOM 286 CD GLU A 37 14.273 6.315 0.648 1.00 1.84 C ATOM 287 OE1 GLU A 37 13.650 6.604 1.688 1.00 2.30 O ATOM 288 OE2 GLU A 37 15.375 6.827 0.360 1.00 2.53 O ATOM 0 H GLU A 37 11.812 6.701 -3.542 1.00 0.68 H new ATOM 0 HA GLU A 37 13.693 4.645 -2.979 1.00 0.77 H new ATOM 0 HB2 GLU A 37 13.513 6.835 -1.797 1.00 0.91 H new ATOM 0 HB3 GLU A 37 11.980 6.327 -1.116 1.00 0.91 H new ATOM 0 HG2 GLU A 37 12.989 4.659 0.233 1.00 1.41 H new ATOM 0 HG3 GLU A 37 14.473 4.670 -0.700 1.00 1.41 H new ATOM 295 N ALA A 38 10.543 4.039 -2.233 1.00 0.61 N ATOM 296 CA ALA A 38 9.618 2.961 -1.896 1.00 0.60 C ATOM 297 C ALA A 38 9.729 1.823 -2.907 1.00 0.54 C ATOM 298 O ALA A 38 9.670 0.645 -2.548 1.00 0.59 O ATOM 299 CB ALA A 38 8.189 3.481 -1.835 1.00 0.60 C ATOM 0 H ALA A 38 10.095 4.933 -2.437 1.00 0.61 H new ATOM 0 HA ALA A 38 9.886 2.575 -0.912 1.00 0.60 H new ATOM 0 HB1 ALA A 38 7.515 2.663 -1.583 1.00 0.60 H new ATOM 0 HB2 ALA A 38 8.117 4.259 -1.074 1.00 0.60 H new ATOM 0 HB3 ALA A 38 7.911 3.895 -2.804 1.00 0.60 H new ATOM 305 N ARG A 39 9.907 2.188 -4.169 1.00 0.49 N ATOM 306 CA ARG A 39 10.072 1.215 -5.237 1.00 0.53 C ATOM 307 C ARG A 39 11.388 0.461 -5.077 1.00 0.56 C ATOM 308 O ARG A 39 11.441 -0.756 -5.247 1.00 0.59 O ATOM 309 CB ARG A 39 10.022 1.913 -6.597 1.00 0.60 C ATOM 310 CG ARG A 39 10.134 0.968 -7.781 1.00 0.88 C ATOM 311 CD ARG A 39 10.081 1.723 -9.097 1.00 0.95 C ATOM 312 NE ARG A 39 10.220 0.834 -10.249 1.00 1.37 N ATOM 313 CZ ARG A 39 9.866 1.164 -11.491 1.00 1.97 C ATOM 314 NH1 ARG A 39 9.351 2.362 -11.741 1.00 2.23 N ATOM 315 NH2 ARG A 39 10.032 0.295 -12.480 1.00 2.73 N ATOM 0 H ARG A 39 9.941 3.159 -4.479 1.00 0.49 H new ATOM 0 HA ARG A 39 9.255 0.496 -5.180 1.00 0.53 H new ATOM 0 HB2 ARG A 39 9.087 2.468 -6.675 1.00 0.60 H new ATOM 0 HB3 ARG A 39 10.830 2.642 -6.650 1.00 0.60 H new ATOM 0 HG2 ARG A 39 11.068 0.410 -7.717 1.00 0.88 H new ATOM 0 HG3 ARG A 39 9.325 0.239 -7.745 1.00 0.88 H new ATOM 0 HD2 ARG A 39 9.136 2.261 -9.167 1.00 0.95 H new ATOM 0 HD3 ARG A 39 10.875 2.469 -9.118 1.00 0.95 H new ATOM 0 HE ARG A 39 10.611 -0.095 -10.093 1.00 1.37 H new ATOM 0 HH11 ARG A 39 9.226 3.032 -10.982 1.00 2.23 H new ATOM 0 HH12 ARG A 39 9.081 2.613 -12.692 1.00 2.23 H new ATOM 0 HH21 ARG A 39 10.430 -0.625 -12.289 1.00 2.73 H new ATOM 0 HH22 ARG A 39 9.761 0.547 -13.431 1.00 2.73 H new ATOM 329 N LYS A 40 12.442 1.193 -4.733 1.00 0.59 N ATOM 330 CA LYS A 40 13.755 0.591 -4.530 1.00 0.67 C ATOM 331 C LYS A 40 13.733 -0.366 -3.348 1.00 0.65 C ATOM 332 O LYS A 40 14.360 -1.423 -3.389 1.00 0.71 O ATOM 333 CB LYS A 40 14.821 1.667 -4.315 1.00 0.78 C ATOM 334 CG LYS A 40 15.035 2.557 -5.529 1.00 0.83 C ATOM 335 CD LYS A 40 16.130 3.587 -5.295 1.00 1.29 C ATOM 336 CE LYS A 40 17.489 2.935 -5.090 1.00 1.82 C ATOM 337 NZ LYS A 40 17.876 2.075 -6.240 1.00 2.52 N ATOM 0 H LYS A 40 12.413 2.202 -4.589 1.00 0.59 H new ATOM 0 HA LYS A 40 14.007 0.029 -5.429 1.00 0.67 H new ATOM 0 HB2 LYS A 40 14.535 2.287 -3.465 1.00 0.78 H new ATOM 0 HB3 LYS A 40 15.764 1.187 -4.055 1.00 0.78 H new ATOM 0 HG2 LYS A 40 15.295 1.940 -6.389 1.00 0.83 H new ATOM 0 HG3 LYS A 40 14.103 3.067 -5.773 1.00 0.83 H new ATOM 0 HD2 LYS A 40 16.178 4.266 -6.147 1.00 1.29 H new ATOM 0 HD3 LYS A 40 15.881 4.189 -4.421 1.00 1.29 H new ATOM 0 HE2 LYS A 40 18.244 3.708 -4.946 1.00 1.82 H new ATOM 0 HE3 LYS A 40 17.469 2.335 -4.180 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 18.891 1.857 -6.184 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 17.330 1.190 -6.211 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 17.677 2.575 -7.130 1.00 2.52 H new ATOM 351 N MET A 41 13.008 0.005 -2.297 1.00 0.64 N ATOM 352 CA MET A 41 12.851 -0.866 -1.137 1.00 0.68 C ATOM 353 C MET A 41 12.228 -2.189 -1.549 1.00 0.63 C ATOM 354 O MET A 41 12.736 -3.260 -1.214 1.00 0.67 O ATOM 355 CB MET A 41 11.974 -0.215 -0.071 1.00 0.82 C ATOM 356 CG MET A 41 12.605 0.984 0.605 1.00 0.99 C ATOM 357 SD MET A 41 11.588 1.614 1.951 1.00 1.64 S ATOM 358 CE MET A 41 11.559 0.195 3.045 1.00 2.61 C ATOM 0 H MET A 41 12.522 0.899 -2.225 1.00 0.64 H new ATOM 0 HA MET A 41 13.844 -1.039 -0.721 1.00 0.68 H new ATOM 0 HB2 MET A 41 11.034 0.093 -0.529 1.00 0.82 H new ATOM 0 HB3 MET A 41 11.731 -0.959 0.687 1.00 0.82 H new ATOM 0 HG2 MET A 41 13.586 0.708 0.991 1.00 0.99 H new ATOM 0 HG3 MET A 41 12.762 1.773 -0.130 1.00 0.99 H new ATOM 0 HE1 MET A 41 11.430 0.531 4.074 1.00 2.61 H new ATOM 0 HE2 MET A 41 10.732 -0.459 2.770 1.00 2.61 H new ATOM 0 HE3 MET A 41 12.498 -0.351 2.957 1.00 2.61 H new ATOM 368 N ALA A 42 11.128 -2.101 -2.288 1.00 0.60 N ATOM 369 CA ALA A 42 10.436 -3.282 -2.774 1.00 0.64 C ATOM 370 C ALA A 42 11.342 -4.098 -3.687 1.00 0.61 C ATOM 371 O ALA A 42 11.331 -5.321 -3.650 1.00 0.66 O ATOM 372 CB ALA A 42 9.165 -2.885 -3.505 1.00 0.75 C ATOM 0 H ALA A 42 10.697 -1.218 -2.563 1.00 0.60 H new ATOM 0 HA ALA A 42 10.167 -3.900 -1.918 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.657 -3.780 -3.864 1.00 0.75 H new ATOM 0 HB2 ALA A 42 8.508 -2.343 -2.825 1.00 0.75 H new ATOM 0 HB3 ALA A 42 9.417 -2.247 -4.352 1.00 0.75 H new ATOM 378 N GLU A 43 12.136 -3.408 -4.489 1.00 0.62 N ATOM 379 CA GLU A 43 13.073 -4.060 -5.392 1.00 0.75 C ATOM 380 C GLU A 43 14.139 -4.830 -4.611 1.00 0.71 C ATOM 381 O GLU A 43 14.473 -5.967 -4.950 1.00 0.79 O ATOM 382 CB GLU A 43 13.724 -3.016 -6.298 1.00 0.93 C ATOM 383 CG GLU A 43 14.732 -3.589 -7.274 1.00 1.33 C ATOM 384 CD GLU A 43 15.282 -2.540 -8.210 1.00 1.88 C ATOM 385 OE1 GLU A 43 14.796 -2.445 -9.356 1.00 2.39 O ATOM 386 OE2 GLU A 43 16.205 -1.804 -7.808 1.00 2.57 O ATOM 0 H GLU A 43 12.151 -2.389 -4.534 1.00 0.62 H new ATOM 0 HA GLU A 43 12.526 -4.776 -6.006 1.00 0.75 H new ATOM 0 HB2 GLU A 43 12.945 -2.499 -6.858 1.00 0.93 H new ATOM 0 HB3 GLU A 43 14.219 -2.269 -5.677 1.00 0.93 H new ATOM 0 HG2 GLU A 43 15.553 -4.045 -6.720 1.00 1.33 H new ATOM 0 HG3 GLU A 43 14.261 -4.381 -7.856 1.00 1.33 H new ATOM 393 N LYS A 44 14.659 -4.206 -3.562 1.00 0.68 N ATOM 394 CA LYS A 44 15.675 -4.827 -2.720 1.00 0.77 C ATOM 395 C LYS A 44 15.101 -6.004 -1.938 1.00 0.69 C ATOM 396 O LYS A 44 15.701 -7.077 -1.881 1.00 0.80 O ATOM 397 CB LYS A 44 16.259 -3.803 -1.742 1.00 0.92 C ATOM 398 CG LYS A 44 17.090 -2.710 -2.403 1.00 1.42 C ATOM 399 CD LYS A 44 18.347 -3.264 -3.061 1.00 1.99 C ATOM 400 CE LYS A 44 19.216 -4.029 -2.070 1.00 2.49 C ATOM 401 NZ LYS A 44 19.550 -3.215 -0.871 1.00 2.98 N ATOM 0 H LYS A 44 14.392 -3.265 -3.272 1.00 0.68 H new ATOM 0 HA LYS A 44 16.465 -5.195 -3.375 1.00 0.77 H new ATOM 0 HB2 LYS A 44 15.442 -3.339 -1.189 1.00 0.92 H new ATOM 0 HB3 LYS A 44 16.880 -4.326 -1.014 1.00 0.92 H new ATOM 0 HG2 LYS A 44 16.485 -2.198 -3.152 1.00 1.42 H new ATOM 0 HG3 LYS A 44 17.370 -1.967 -1.657 1.00 1.42 H new ATOM 0 HD2 LYS A 44 18.067 -3.923 -3.882 1.00 1.99 H new ATOM 0 HD3 LYS A 44 18.923 -2.445 -3.492 1.00 1.99 H new ATOM 0 HE2 LYS A 44 18.697 -4.936 -1.759 1.00 2.49 H new ATOM 0 HE3 LYS A 44 20.137 -4.342 -2.563 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 20.286 -3.698 -0.318 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 19.898 -2.282 -1.171 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 18.699 -3.095 -0.285 1.00 2.98 H new ATOM 415 N ALA A 45 13.933 -5.798 -1.344 1.00 0.61 N ATOM 416 CA ALA A 45 13.308 -6.814 -0.506 1.00 0.64 C ATOM 417 C ALA A 45 12.518 -7.821 -1.336 1.00 0.60 C ATOM 418 O ALA A 45 11.938 -8.765 -0.797 1.00 0.71 O ATOM 419 CB ALA A 45 12.415 -6.153 0.531 1.00 0.76 C ATOM 0 H ALA A 45 13.397 -4.934 -1.427 1.00 0.61 H new ATOM 0 HA ALA A 45 14.098 -7.365 0.004 1.00 0.64 H new ATOM 0 HB1 ALA A 45 11.952 -6.919 1.153 1.00 0.76 H new ATOM 0 HB2 ALA A 45 13.013 -5.490 1.156 1.00 0.76 H new ATOM 0 HB3 ALA A 45 11.639 -5.576 0.028 1.00 0.76 H new ATOM 425 N ASN A 46 12.510 -7.609 -2.652 1.00 0.56 N ATOM 426 CA ASN A 46 11.830 -8.495 -3.599 1.00 0.65 C ATOM 427 C ASN A 46 10.321 -8.516 -3.357 1.00 0.62 C ATOM 428 O ASN A 46 9.667 -9.545 -3.522 1.00 0.80 O ATOM 429 CB ASN A 46 12.399 -9.918 -3.530 1.00 0.83 C ATOM 430 CG ASN A 46 13.859 -9.998 -3.950 1.00 1.46 C ATOM 431 OD1 ASN A 46 14.271 -9.143 -4.876 1.00 2.11 O flip ATOM 432 ND2 ASN A 46 14.612 -10.834 -3.447 1.00 2.22 N flip ATOM 0 H ASN A 46 12.976 -6.816 -3.093 1.00 0.56 H new ATOM 0 HA ASN A 46 12.009 -8.099 -4.599 1.00 0.65 H new ATOM 0 HB2 ASN A 46 12.299 -10.294 -2.512 1.00 0.83 H new ATOM 0 HB3 ASN A 46 11.807 -10.571 -4.171 1.00 0.83 H new ATOM 0 HD21 ASN A 46 14.260 -11.476 -2.737 1.00 2.22 H new ATOM 0 HD22 ASN A 46 15.587 -10.884 -3.741 1.00 2.22 H new ATOM 439 N LEU A 47 9.778 -7.366 -2.980 1.00 0.48 N ATOM 440 CA LEU A 47 8.346 -7.223 -2.768 1.00 0.48 C ATOM 441 C LEU A 47 7.698 -6.721 -4.051 1.00 0.45 C ATOM 442 O LEU A 47 8.387 -6.229 -4.948 1.00 0.53 O ATOM 443 CB LEU A 47 8.050 -6.235 -1.632 1.00 0.51 C ATOM 444 CG LEU A 47 8.838 -6.440 -0.334 1.00 0.58 C ATOM 445 CD1 LEU A 47 8.286 -5.546 0.762 1.00 1.10 C ATOM 446 CD2 LEU A 47 8.809 -7.895 0.104 1.00 1.11 C ATOM 0 H LEU A 47 10.313 -6.514 -2.814 1.00 0.48 H new ATOM 0 HA LEU A 47 7.939 -8.196 -2.492 1.00 0.48 H new ATOM 0 HB2 LEU A 47 8.246 -5.226 -1.996 1.00 0.51 H new ATOM 0 HB3 LEU A 47 6.987 -6.289 -1.399 1.00 0.51 H new ATOM 0 HG LEU A 47 9.877 -6.168 -0.523 1.00 0.58 H new ATOM 0 HD11 LEU A 47 8.854 -5.701 1.679 1.00 1.10 H new ATOM 0 HD12 LEU A 47 8.368 -4.503 0.456 1.00 1.10 H new ATOM 0 HD13 LEU A 47 7.239 -5.791 0.939 1.00 1.10 H new ATOM 0 HD21 LEU A 47 9.377 -8.008 1.028 1.00 1.11 H new ATOM 0 HD22 LEU A 47 7.777 -8.204 0.272 1.00 1.11 H new ATOM 0 HD23 LEU A 47 9.252 -8.518 -0.673 1.00 1.11 H new ATOM 458 N GLU A 48 6.384 -6.831 -4.141 1.00 0.43 N ATOM 459 CA GLU A 48 5.678 -6.402 -5.333 1.00 0.47 C ATOM 460 C GLU A 48 5.108 -4.999 -5.142 1.00 0.45 C ATOM 461 O GLU A 48 4.073 -4.813 -4.499 1.00 0.49 O ATOM 462 CB GLU A 48 4.575 -7.402 -5.681 1.00 0.58 C ATOM 463 CG GLU A 48 3.882 -7.106 -6.997 1.00 0.80 C ATOM 464 CD GLU A 48 3.025 -8.259 -7.473 1.00 1.27 C ATOM 465 OE1 GLU A 48 1.813 -8.266 -7.189 1.00 2.13 O ATOM 466 OE2 GLU A 48 3.567 -9.174 -8.135 1.00 1.74 O ATOM 0 H GLU A 48 5.788 -7.212 -3.406 1.00 0.43 H new ATOM 0 HA GLU A 48 6.381 -6.367 -6.165 1.00 0.47 H new ATOM 0 HB2 GLU A 48 5.004 -8.403 -5.723 1.00 0.58 H new ATOM 0 HB3 GLU A 48 3.834 -7.405 -4.882 1.00 0.58 H new ATOM 0 HG2 GLU A 48 3.260 -6.218 -6.885 1.00 0.80 H new ATOM 0 HG3 GLU A 48 4.631 -6.877 -7.755 1.00 0.80 H new ATOM 473 N LEU A 49 5.810 -4.014 -5.685 1.00 0.46 N ATOM 474 CA LEU A 49 5.384 -2.625 -5.605 1.00 0.50 C ATOM 475 C LEU A 49 4.518 -2.293 -6.815 1.00 0.45 C ATOM 476 O LEU A 49 4.958 -2.429 -7.959 1.00 0.54 O ATOM 477 CB LEU A 49 6.615 -1.706 -5.556 1.00 0.67 C ATOM 478 CG LEU A 49 6.404 -0.285 -4.997 1.00 0.75 C ATOM 479 CD1 LEU A 49 5.520 0.552 -5.905 1.00 1.49 C ATOM 480 CD2 LEU A 49 5.819 -0.340 -3.596 1.00 0.99 C ATOM 0 H LEU A 49 6.685 -4.154 -6.190 1.00 0.46 H new ATOM 0 HA LEU A 49 4.800 -2.471 -4.698 1.00 0.50 H new ATOM 0 HB2 LEU A 49 7.381 -2.197 -4.955 1.00 0.67 H new ATOM 0 HB3 LEU A 49 7.012 -1.617 -6.567 1.00 0.67 H new ATOM 0 HG LEU A 49 7.382 0.194 -4.952 1.00 0.75 H new ATOM 0 HD11 LEU A 49 5.396 1.546 -5.476 1.00 1.49 H new ATOM 0 HD12 LEU A 49 5.984 0.636 -6.888 1.00 1.49 H new ATOM 0 HD13 LEU A 49 4.545 0.075 -6.004 1.00 1.49 H new ATOM 0 HD21 LEU A 49 5.678 0.674 -3.220 1.00 0.99 H new ATOM 0 HD22 LEU A 49 4.858 -0.854 -3.623 1.00 0.99 H new ATOM 0 HD23 LEU A 49 6.500 -0.879 -2.938 1.00 0.99 H new ATOM 492 N ILE A 50 3.292 -1.865 -6.555 1.00 0.39 N ATOM 493 CA ILE A 50 2.363 -1.505 -7.611 1.00 0.43 C ATOM 494 C ILE A 50 1.929 -0.047 -7.462 1.00 0.40 C ATOM 495 O ILE A 50 1.332 0.338 -6.454 1.00 0.37 O ATOM 496 CB ILE A 50 1.122 -2.425 -7.593 1.00 0.50 C ATOM 497 CG1 ILE A 50 1.515 -3.881 -7.876 1.00 0.60 C ATOM 498 CG2 ILE A 50 0.076 -1.947 -8.589 1.00 0.62 C ATOM 499 CD1 ILE A 50 2.145 -4.096 -9.238 1.00 1.31 C ATOM 0 H ILE A 50 2.917 -1.759 -5.613 1.00 0.39 H new ATOM 0 HA ILE A 50 2.874 -1.631 -8.566 1.00 0.43 H new ATOM 0 HB ILE A 50 0.686 -2.379 -6.595 1.00 0.50 H new ATOM 0 HG12 ILE A 50 2.213 -4.214 -7.108 1.00 0.60 H new ATOM 0 HG13 ILE A 50 0.628 -4.509 -7.794 1.00 0.60 H new ATOM 0 HG21 ILE A 50 -0.787 -2.611 -8.557 1.00 0.62 H new ATOM 0 HG22 ILE A 50 -0.235 -0.935 -8.332 1.00 0.62 H new ATOM 0 HG23 ILE A 50 0.500 -1.952 -9.593 1.00 0.62 H new ATOM 0 HD11 ILE A 50 2.394 -5.150 -9.361 1.00 1.31 H new ATOM 0 HD12 ILE A 50 1.442 -3.796 -10.015 1.00 1.31 H new ATOM 0 HD13 ILE A 50 3.052 -3.497 -9.318 1.00 1.31 H new ATOM 511 N THR A 51 2.248 0.763 -8.459 1.00 0.48 N ATOM 512 CA THR A 51 1.890 2.172 -8.440 1.00 0.52 C ATOM 513 C THR A 51 0.587 2.425 -9.191 1.00 0.56 C ATOM 514 O THR A 51 0.581 2.510 -10.421 1.00 0.66 O ATOM 515 CB THR A 51 3.007 3.025 -9.071 1.00 0.63 C ATOM 516 OG1 THR A 51 3.571 2.334 -10.194 1.00 1.19 O ATOM 517 CG2 THR A 51 4.100 3.342 -8.066 1.00 1.20 C ATOM 0 H THR A 51 2.755 0.468 -9.293 1.00 0.48 H new ATOM 0 HA THR A 51 1.757 2.457 -7.396 1.00 0.52 H new ATOM 0 HB THR A 51 2.565 3.966 -9.399 1.00 0.63 H new ATOM 0 HG1 THR A 51 2.854 2.061 -10.804 1.00 1.19 H new ATOM 0 HG21 THR A 51 4.871 3.945 -8.545 1.00 1.20 H new ATOM 0 HG22 THR A 51 3.675 3.895 -7.229 1.00 1.20 H new ATOM 0 HG23 THR A 51 4.540 2.414 -7.702 1.00 1.20 H new ATOM 525 N VAL A 52 -0.518 2.539 -8.459 1.00 0.68 N ATOM 526 CA VAL A 52 -1.793 2.900 -9.069 1.00 0.78 C ATOM 527 C VAL A 52 -2.521 3.935 -8.210 1.00 0.85 C ATOM 528 O VAL A 52 -3.378 3.589 -7.394 1.00 1.66 O ATOM 529 CB VAL A 52 -2.701 1.648 -9.224 1.00 1.35 C ATOM 530 CG1 VAL A 52 -4.053 2.008 -9.819 1.00 1.77 C ATOM 531 CG2 VAL A 52 -2.024 0.586 -10.073 1.00 1.95 C ATOM 0 H VAL A 52 -0.556 2.388 -7.451 1.00 0.68 H new ATOM 0 HA VAL A 52 -1.585 3.321 -10.053 1.00 0.78 H new ATOM 0 HB VAL A 52 -2.866 1.245 -8.225 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -4.661 1.108 -9.913 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -4.559 2.721 -9.168 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -3.910 2.453 -10.804 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -2.681 -0.279 -10.166 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -1.815 0.991 -11.063 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -1.090 0.283 -9.600 1.00 1.95 H new ATOM 541 N PRO A 53 -2.157 5.220 -8.337 1.00 0.73 N ATOM 542 CA PRO A 53 -2.934 6.305 -7.765 1.00 0.90 C ATOM 543 C PRO A 53 -3.996 6.858 -8.719 1.00 0.88 C ATOM 544 O PRO A 53 -3.671 7.620 -9.634 1.00 1.64 O ATOM 545 CB PRO A 53 -1.865 7.357 -7.483 1.00 1.83 C ATOM 546 CG PRO A 53 -0.816 7.142 -8.529 1.00 2.29 C ATOM 547 CD PRO A 53 -0.951 5.716 -9.018 1.00 1.49 C ATOM 0 HA PRO A 53 -3.503 5.987 -6.891 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -2.279 8.364 -7.541 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -1.452 7.240 -6.481 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -0.945 7.844 -9.353 1.00 2.29 H new ATOM 0 HG3 PRO A 53 0.178 7.314 -8.117 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -1.059 5.674 -10.102 1.00 1.49 H new ATOM 0 HD3 PRO A 53 -0.074 5.121 -8.761 1.00 1.49 H new ATOM 555 N GLY A 54 -5.251 6.492 -8.529 1.00 1.49 N ATOM 556 CA GLY A 54 -6.316 7.280 -9.116 1.00 2.14 C ATOM 557 C GLY A 54 -7.336 7.677 -8.077 1.00 1.80 C ATOM 558 O GLY A 54 -7.693 8.846 -7.942 1.00 2.08 O ATOM 0 H GLY A 54 -5.551 5.680 -7.990 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -5.898 8.174 -9.579 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -6.802 6.708 -9.907 1.00 2.14 H new ATOM 562 N SER A 55 -7.803 6.685 -7.340 1.00 1.36 N ATOM 563 CA SER A 55 -8.566 6.901 -6.128 1.00 0.97 C ATOM 564 C SER A 55 -7.827 6.263 -4.957 1.00 0.64 C ATOM 565 O SER A 55 -6.992 5.382 -5.177 1.00 0.50 O ATOM 566 CB SER A 55 -9.970 6.312 -6.267 1.00 1.19 C ATOM 567 OG SER A 55 -10.581 6.715 -7.482 1.00 1.75 O ATOM 0 H SER A 55 -7.661 5.701 -7.569 1.00 1.36 H new ATOM 0 HA SER A 55 -8.671 7.971 -5.949 1.00 0.97 H new ATOM 0 HB2 SER A 55 -9.916 5.224 -6.228 1.00 1.19 H new ATOM 0 HB3 SER A 55 -10.585 6.630 -5.425 1.00 1.19 H new ATOM 0 HG SER A 55 -11.477 6.322 -7.544 1.00 1.75 H new ATOM 573 N PRO A 56 -8.110 6.657 -3.709 1.00 0.66 N ATOM 574 CA PRO A 56 -7.583 5.943 -2.546 1.00 0.58 C ATOM 575 C PRO A 56 -8.114 4.507 -2.493 1.00 0.53 C ATOM 576 O PRO A 56 -7.364 3.558 -2.270 1.00 0.62 O ATOM 577 CB PRO A 56 -8.087 6.757 -1.349 1.00 0.70 C ATOM 578 CG PRO A 56 -9.211 7.585 -1.877 1.00 1.09 C ATOM 579 CD PRO A 56 -8.912 7.830 -3.330 1.00 0.87 C ATOM 0 HA PRO A 56 -6.497 5.857 -2.568 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -8.425 6.104 -0.544 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -7.295 7.385 -0.940 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -10.163 7.068 -1.758 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -9.289 8.526 -1.333 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -9.824 7.903 -3.922 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -8.361 8.759 -3.477 1.00 0.87 H new ATOM 587 N GLU A 57 -9.414 4.362 -2.745 1.00 0.62 N ATOM 588 CA GLU A 57 -10.070 3.059 -2.718 1.00 0.80 C ATOM 589 C GLU A 57 -9.701 2.225 -3.950 1.00 0.67 C ATOM 590 O GLU A 57 -9.852 1.004 -3.948 1.00 0.67 O ATOM 591 CB GLU A 57 -11.591 3.237 -2.623 1.00 1.14 C ATOM 592 CG GLU A 57 -12.366 1.927 -2.625 1.00 1.80 C ATOM 593 CD GLU A 57 -13.856 2.120 -2.436 1.00 1.95 C ATOM 594 OE1 GLU A 57 -14.468 2.875 -3.218 1.00 2.06 O ATOM 595 OE2 GLU A 57 -14.430 1.495 -1.520 1.00 2.70 O ATOM 0 H GLU A 57 -10.036 5.138 -2.972 1.00 0.62 H new ATOM 0 HA GLU A 57 -9.721 2.520 -1.837 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -11.827 3.786 -1.711 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -11.928 3.849 -3.460 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -12.189 1.408 -3.567 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -11.985 1.285 -1.831 1.00 1.80 H new ATOM 602 N GLU A 58 -9.202 2.881 -4.989 1.00 0.61 N ATOM 603 CA GLU A 58 -8.837 2.193 -6.223 1.00 0.56 C ATOM 604 C GLU A 58 -7.737 1.174 -5.954 1.00 0.50 C ATOM 605 O GLU A 58 -7.873 -0.004 -6.289 1.00 0.54 O ATOM 606 CB GLU A 58 -8.390 3.202 -7.282 1.00 0.62 C ATOM 607 CG GLU A 58 -7.995 2.574 -8.606 1.00 1.18 C ATOM 608 CD GLU A 58 -7.802 3.607 -9.694 1.00 1.57 C ATOM 609 OE1 GLU A 58 -8.740 3.814 -10.493 1.00 2.30 O ATOM 610 OE2 GLU A 58 -6.726 4.228 -9.745 1.00 2.01 O ATOM 0 H GLU A 58 -9.040 3.888 -5.003 1.00 0.61 H new ATOM 0 HA GLU A 58 -9.712 1.664 -6.601 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -9.198 3.913 -7.456 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -7.544 3.769 -6.894 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -7.072 2.008 -8.477 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -8.763 1.865 -8.913 1.00 1.18 H new ATOM 617 N ALA A 59 -6.661 1.630 -5.325 1.00 0.52 N ATOM 618 CA ALA A 59 -5.581 0.743 -4.924 1.00 0.59 C ATOM 619 C ALA A 59 -6.085 -0.319 -3.954 1.00 0.50 C ATOM 620 O ALA A 59 -5.606 -1.448 -3.962 1.00 0.50 O ATOM 621 CB ALA A 59 -4.449 1.533 -4.295 1.00 0.78 C ATOM 0 H ALA A 59 -6.515 2.610 -5.082 1.00 0.52 H new ATOM 0 HA ALA A 59 -5.204 0.243 -5.816 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -3.650 0.853 -4.001 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -4.064 2.255 -5.016 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -4.818 2.060 -3.415 1.00 0.78 H new ATOM 627 N ILE A 60 -7.061 0.048 -3.125 1.00 0.51 N ATOM 628 CA ILE A 60 -7.672 -0.901 -2.198 1.00 0.52 C ATOM 629 C ILE A 60 -8.346 -2.034 -2.969 1.00 0.50 C ATOM 630 O ILE A 60 -8.184 -3.209 -2.642 1.00 0.52 O ATOM 631 CB ILE A 60 -8.735 -0.235 -1.292 1.00 0.63 C ATOM 632 CG1 ILE A 60 -8.165 0.989 -0.568 1.00 0.79 C ATOM 633 CG2 ILE A 60 -9.266 -1.244 -0.284 1.00 0.74 C ATOM 634 CD1 ILE A 60 -7.094 0.660 0.441 1.00 1.03 C ATOM 0 H ILE A 60 -7.444 0.992 -3.077 1.00 0.51 H new ATOM 0 HA ILE A 60 -6.868 -1.284 -1.570 1.00 0.52 H new ATOM 0 HB ILE A 60 -9.554 0.105 -1.926 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -7.755 1.677 -1.307 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -8.978 1.511 -0.063 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -10.014 -0.767 0.349 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -9.720 -2.082 -0.813 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -8.445 -1.607 0.334 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -6.742 1.579 0.910 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -7.504 -0.003 1.203 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -6.261 0.166 -0.060 1.00 1.03 H new ATOM 646 N ARG A 61 -9.100 -1.665 -3.996 1.00 0.51 N ATOM 647 CA ARG A 61 -9.820 -2.635 -4.809 1.00 0.57 C ATOM 648 C ARG A 61 -8.856 -3.513 -5.595 1.00 0.55 C ATOM 649 O ARG A 61 -9.068 -4.720 -5.717 1.00 0.67 O ATOM 650 CB ARG A 61 -10.791 -1.922 -5.750 1.00 0.63 C ATOM 651 CG ARG A 61 -11.964 -1.281 -5.024 1.00 0.68 C ATOM 652 CD ARG A 61 -12.846 -0.481 -5.970 1.00 0.85 C ATOM 653 NE ARG A 61 -13.387 -1.303 -7.051 1.00 1.75 N ATOM 654 CZ ARG A 61 -14.340 -0.902 -7.893 1.00 2.33 C ATOM 655 NH1 ARG A 61 -14.866 0.311 -7.784 1.00 2.28 N ATOM 656 NH2 ARG A 61 -14.758 -1.719 -8.850 1.00 3.35 N ATOM 0 H ARG A 61 -9.229 -0.696 -4.286 1.00 0.51 H new ATOM 0 HA ARG A 61 -10.392 -3.281 -4.143 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -10.252 -1.154 -6.305 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -11.170 -2.637 -6.481 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -12.559 -2.056 -4.540 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -11.590 -0.627 -4.236 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -13.668 -0.036 -5.409 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -12.269 0.340 -6.395 1.00 0.85 H new ATOM 0 HE ARG A 61 -13.011 -2.244 -7.169 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -14.542 0.944 -7.053 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -15.595 0.611 -8.432 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -14.351 -2.650 -8.940 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -15.487 -1.417 -9.496 1.00 3.35 H new ATOM 670 N LEU A 62 -7.790 -2.915 -6.112 1.00 0.47 N ATOM 671 CA LEU A 62 -6.773 -3.673 -6.828 1.00 0.50 C ATOM 672 C LEU A 62 -5.996 -4.564 -5.860 1.00 0.43 C ATOM 673 O LEU A 62 -5.555 -5.654 -6.223 1.00 0.45 O ATOM 674 CB LEU A 62 -5.822 -2.737 -7.578 1.00 0.59 C ATOM 675 CG LEU A 62 -4.788 -3.438 -8.466 1.00 0.69 C ATOM 676 CD1 LEU A 62 -5.474 -4.275 -9.536 1.00 1.22 C ATOM 677 CD2 LEU A 62 -3.862 -2.420 -9.109 1.00 1.03 C ATOM 0 H LEU A 62 -7.608 -1.913 -6.049 1.00 0.47 H new ATOM 0 HA LEU A 62 -7.271 -4.307 -7.561 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -6.414 -2.063 -8.198 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -5.295 -2.120 -6.850 1.00 0.59 H new ATOM 0 HG LEU A 62 -4.195 -4.102 -7.837 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -4.721 -4.763 -10.154 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -6.099 -5.031 -9.061 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -6.094 -3.631 -10.160 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -3.134 -2.935 -9.736 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -4.446 -1.732 -9.721 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -3.340 -1.861 -8.332 1.00 1.03 H new ATOM 689 N ALA A 63 -5.838 -4.097 -4.626 1.00 0.41 N ATOM 690 CA ALA A 63 -5.228 -4.902 -3.576 1.00 0.42 C ATOM 691 C ALA A 63 -6.058 -6.154 -3.329 1.00 0.46 C ATOM 692 O ALA A 63 -5.520 -7.248 -3.172 1.00 0.49 O ATOM 693 CB ALA A 63 -5.093 -4.096 -2.292 1.00 0.49 C ATOM 0 H ALA A 63 -6.124 -3.164 -4.329 1.00 0.41 H new ATOM 0 HA ALA A 63 -4.231 -5.198 -3.901 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -4.635 -4.715 -1.520 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -4.467 -3.222 -2.475 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -6.080 -3.773 -1.960 1.00 0.49 H new ATOM 699 N GLN A 64 -7.378 -5.976 -3.312 1.00 0.52 N ATOM 700 CA GLN A 64 -8.310 -7.090 -3.186 1.00 0.64 C ATOM 701 C GLN A 64 -8.118 -8.067 -4.339 1.00 0.62 C ATOM 702 O GLN A 64 -8.122 -9.283 -4.144 1.00 0.69 O ATOM 703 CB GLN A 64 -9.755 -6.579 -3.169 1.00 0.77 C ATOM 704 CG GLN A 64 -10.063 -5.649 -2.010 1.00 1.11 C ATOM 705 CD GLN A 64 -11.491 -5.139 -2.034 1.00 1.39 C ATOM 706 OE1 GLN A 64 -11.699 -3.927 -1.543 1.00 1.95 O flip ATOM 707 NE2 GLN A 64 -12.398 -5.821 -2.507 1.00 2.12 N flip ATOM 0 H GLN A 64 -7.826 -5.063 -3.385 1.00 0.52 H new ATOM 0 HA GLN A 64 -8.110 -7.605 -2.246 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -9.957 -6.057 -4.105 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -10.432 -7.432 -3.127 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -9.884 -6.173 -1.071 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -9.378 -4.802 -2.037 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -12.198 -6.751 -2.876 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -13.351 -5.457 -2.531 1.00 2.12 H new ATOM 716 N GLU A 65 -7.932 -7.515 -5.537 1.00 0.58 N ATOM 717 CA GLU A 65 -7.682 -8.312 -6.732 1.00 0.63 C ATOM 718 C GLU A 65 -6.434 -9.168 -6.561 1.00 0.55 C ATOM 719 O GLU A 65 -6.485 -10.389 -6.691 1.00 0.62 O ATOM 720 CB GLU A 65 -7.505 -7.405 -7.951 1.00 0.69 C ATOM 721 CG GLU A 65 -8.741 -6.600 -8.315 1.00 1.24 C ATOM 722 CD GLU A 65 -9.893 -7.470 -8.767 1.00 1.50 C ATOM 723 OE1 GLU A 65 -10.899 -7.557 -8.039 1.00 2.21 O ATOM 724 OE2 GLU A 65 -9.800 -8.062 -9.864 1.00 1.95 O ATOM 0 H GLU A 65 -7.951 -6.509 -5.704 1.00 0.58 H new ATOM 0 HA GLU A 65 -8.543 -8.963 -6.884 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -6.681 -6.718 -7.761 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -7.219 -8.017 -8.806 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -9.053 -6.011 -7.452 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -8.490 -5.896 -9.108 1.00 1.24 H new ATOM 731 N ILE A 66 -5.315 -8.522 -6.249 1.00 0.46 N ATOM 732 CA ILE A 66 -4.046 -9.221 -6.121 1.00 0.46 C ATOM 733 C ILE A 66 -4.111 -10.272 -5.013 1.00 0.43 C ATOM 734 O ILE A 66 -3.616 -11.388 -5.174 1.00 0.48 O ATOM 735 CB ILE A 66 -2.891 -8.234 -5.838 1.00 0.54 C ATOM 736 CG1 ILE A 66 -2.825 -7.170 -6.941 1.00 0.66 C ATOM 737 CG2 ILE A 66 -1.567 -8.979 -5.736 1.00 0.64 C ATOM 738 CD1 ILE A 66 -1.770 -6.112 -6.708 1.00 0.53 C ATOM 0 H ILE A 66 -5.263 -7.517 -6.081 1.00 0.46 H new ATOM 0 HA ILE A 66 -3.852 -9.721 -7.070 1.00 0.46 H new ATOM 0 HB ILE A 66 -3.079 -7.739 -4.886 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -2.629 -7.661 -7.895 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -3.798 -6.687 -7.025 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -0.764 -8.269 -5.537 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -1.619 -9.705 -4.924 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -1.368 -9.497 -6.674 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -1.785 -5.396 -7.530 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -1.975 -5.594 -5.771 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -0.788 -6.583 -6.655 1.00 0.53 H new ATOM 750 N ALA A 67 -4.759 -9.923 -3.910 1.00 0.44 N ATOM 751 CA ALA A 67 -4.833 -10.804 -2.751 1.00 0.51 C ATOM 752 C ALA A 67 -5.599 -12.089 -3.051 1.00 0.55 C ATOM 753 O ALA A 67 -5.210 -13.168 -2.601 1.00 0.63 O ATOM 754 CB ALA A 67 -5.464 -10.078 -1.575 1.00 0.60 C ATOM 0 H ALA A 67 -5.243 -9.033 -3.793 1.00 0.44 H new ATOM 0 HA ALA A 67 -3.812 -11.087 -2.495 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -5.513 -10.749 -0.717 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -4.862 -9.206 -1.320 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -6.471 -9.758 -1.843 1.00 0.60 H new ATOM 760 N GLU A 68 -6.682 -11.984 -3.812 1.00 0.60 N ATOM 761 CA GLU A 68 -7.506 -13.152 -4.102 1.00 0.73 C ATOM 762 C GLU A 68 -6.923 -13.977 -5.247 1.00 0.73 C ATOM 763 O GLU A 68 -7.136 -15.186 -5.318 1.00 0.87 O ATOM 764 CB GLU A 68 -8.947 -12.749 -4.434 1.00 0.83 C ATOM 765 CG GLU A 68 -9.076 -11.874 -5.669 1.00 1.10 C ATOM 766 CD GLU A 68 -10.504 -11.761 -6.151 1.00 1.71 C ATOM 767 OE1 GLU A 68 -10.887 -12.527 -7.056 1.00 2.46 O ATOM 768 OE2 GLU A 68 -11.254 -10.918 -5.622 1.00 2.22 O ATOM 0 H GLU A 68 -7.007 -11.115 -4.235 1.00 0.60 H new ATOM 0 HA GLU A 68 -7.514 -13.766 -3.201 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -9.542 -13.651 -4.577 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -9.371 -12.220 -3.581 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -8.691 -10.879 -5.447 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -8.458 -12.284 -6.467 1.00 1.10 H new ATOM 775 N LYS A 69 -6.188 -13.325 -6.141 1.00 0.65 N ATOM 776 CA LYS A 69 -5.651 -14.004 -7.316 1.00 0.71 C ATOM 777 C LYS A 69 -4.315 -14.675 -7.015 1.00 0.73 C ATOM 778 O LYS A 69 -3.935 -15.636 -7.685 1.00 0.92 O ATOM 779 CB LYS A 69 -5.499 -13.026 -8.486 1.00 0.73 C ATOM 780 CG LYS A 69 -6.813 -12.398 -8.931 1.00 0.77 C ATOM 781 CD LYS A 69 -7.821 -13.448 -9.369 1.00 1.29 C ATOM 782 CE LYS A 69 -9.161 -12.824 -9.727 1.00 1.73 C ATOM 783 NZ LYS A 69 -9.045 -11.848 -10.841 1.00 2.41 N ATOM 0 H LYS A 69 -5.951 -12.335 -6.077 1.00 0.65 H new ATOM 0 HA LYS A 69 -6.362 -14.781 -7.596 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -4.807 -12.235 -8.199 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -5.052 -13.550 -9.331 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -7.231 -11.812 -8.113 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -6.626 -11.708 -9.754 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -7.431 -13.991 -10.230 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -7.960 -14.175 -8.569 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -9.863 -13.610 -10.006 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -9.573 -12.325 -8.850 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -9.995 -11.563 -11.153 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -8.521 -11.011 -10.516 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -8.537 -12.287 -11.636 1.00 2.41 H new ATOM 797 N ALA A 70 -3.605 -14.170 -6.016 1.00 0.67 N ATOM 798 CA ALA A 70 -2.329 -14.752 -5.621 1.00 0.71 C ATOM 799 C ALA A 70 -2.536 -16.054 -4.860 1.00 0.69 C ATOM 800 O ALA A 70 -3.245 -16.083 -3.852 1.00 0.68 O ATOM 801 CB ALA A 70 -1.537 -13.782 -4.766 1.00 0.78 C ATOM 0 H ALA A 70 -3.890 -13.360 -5.465 1.00 0.67 H new ATOM 0 HA ALA A 70 -1.767 -14.963 -6.531 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -0.588 -14.238 -4.483 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -1.347 -12.870 -5.332 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -2.106 -13.540 -3.868 1.00 0.78 H new ATOM 807 N PRO A 71 -1.952 -17.157 -5.347 1.00 0.84 N ATOM 808 CA PRO A 71 -1.977 -18.438 -4.640 1.00 0.90 C ATOM 809 C PRO A 71 -1.179 -18.390 -3.341 1.00 0.81 C ATOM 810 O PRO A 71 0.054 -18.320 -3.354 1.00 0.93 O ATOM 811 CB PRO A 71 -1.323 -19.414 -5.628 1.00 1.19 C ATOM 812 CG PRO A 71 -1.377 -18.723 -6.946 1.00 1.34 C ATOM 813 CD PRO A 71 -1.257 -17.260 -6.636 1.00 1.08 C ATOM 0 HA PRO A 71 -2.989 -18.722 -4.352 1.00 0.90 H new ATOM 0 HB2 PRO A 71 -0.295 -19.636 -5.341 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -1.858 -20.363 -5.658 1.00 1.19 H new ATOM 0 HG2 PRO A 71 -0.567 -19.054 -7.596 1.00 1.34 H new ATOM 0 HG3 PRO A 71 -2.311 -18.939 -7.465 1.00 1.34 H new ATOM 0 HD2 PRO A 71 -0.217 -16.943 -6.564 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -1.726 -16.642 -7.402 1.00 1.08 H new ATOM 821 N GLY A 72 -1.890 -18.403 -2.227 1.00 0.75 N ATOM 822 CA GLY A 72 -1.250 -18.475 -0.931 1.00 0.77 C ATOM 823 C GLY A 72 -1.594 -17.286 -0.061 1.00 0.63 C ATOM 824 O GLY A 72 -2.366 -16.421 -0.478 1.00 0.62 O ATOM 0 H GLY A 72 -2.909 -18.365 -2.197 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -1.554 -19.393 -0.427 1.00 0.77 H new ATOM 0 HA3 GLY A 72 -0.169 -18.527 -1.063 1.00 0.77 H new ATOM 828 N PRO A 73 -1.046 -17.221 1.164 1.00 0.61 N ATOM 829 CA PRO A 73 -1.278 -16.102 2.082 1.00 0.58 C ATOM 830 C PRO A 73 -0.715 -14.797 1.536 1.00 0.48 C ATOM 831 O PRO A 73 0.470 -14.707 1.196 1.00 0.54 O ATOM 832 CB PRO A 73 -0.534 -16.511 3.361 1.00 0.71 C ATOM 833 CG PRO A 73 -0.303 -17.977 3.227 1.00 0.90 C ATOM 834 CD PRO A 73 -0.167 -18.237 1.756 1.00 0.73 C ATOM 0 HA PRO A 73 -2.341 -15.921 2.241 1.00 0.58 H new ATOM 0 HB2 PRO A 73 0.408 -15.971 3.458 1.00 0.71 H new ATOM 0 HB3 PRO A 73 -1.124 -16.285 4.249 1.00 0.71 H new ATOM 0 HG2 PRO A 73 0.596 -18.282 3.763 1.00 0.90 H new ATOM 0 HG3 PRO A 73 -1.133 -18.544 3.649 1.00 0.90 H new ATOM 0 HD2 PRO A 73 0.864 -18.126 1.419 1.00 0.73 H new ATOM 0 HD3 PRO A 73 -0.481 -19.247 1.493 1.00 0.73 H new ATOM 842 N VAL A 74 -1.569 -13.789 1.441 1.00 0.48 N ATOM 843 CA VAL A 74 -1.169 -12.501 0.906 1.00 0.46 C ATOM 844 C VAL A 74 -1.325 -11.414 1.956 1.00 0.44 C ATOM 845 O VAL A 74 -2.348 -11.338 2.638 1.00 0.56 O ATOM 846 CB VAL A 74 -2.002 -12.116 -0.337 1.00 0.62 C ATOM 847 CG1 VAL A 74 -1.428 -10.876 -1.011 1.00 1.50 C ATOM 848 CG2 VAL A 74 -2.074 -13.273 -1.316 1.00 1.31 C ATOM 0 H VAL A 74 -2.546 -13.841 1.729 1.00 0.48 H new ATOM 0 HA VAL A 74 -0.122 -12.589 0.615 1.00 0.46 H new ATOM 0 HB VAL A 74 -3.015 -11.885 -0.007 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -2.031 -10.624 -1.883 1.00 1.50 H new ATOM 0 HG12 VAL A 74 -1.439 -10.042 -0.309 1.00 1.50 H new ATOM 0 HG13 VAL A 74 -0.403 -11.073 -1.323 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -2.665 -12.979 -2.183 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -1.067 -13.541 -1.637 1.00 1.31 H new ATOM 0 HG23 VAL A 74 -2.541 -14.131 -0.832 1.00 1.31 H new ATOM 858 N LYS A 75 -0.300 -10.595 2.094 1.00 0.44 N ATOM 859 CA LYS A 75 -0.356 -9.435 2.958 1.00 0.52 C ATOM 860 C LYS A 75 0.022 -8.200 2.156 1.00 0.42 C ATOM 861 O LYS A 75 1.195 -7.973 1.850 1.00 0.45 O ATOM 862 CB LYS A 75 0.570 -9.607 4.166 1.00 0.76 C ATOM 863 CG LYS A 75 0.592 -8.400 5.095 1.00 1.20 C ATOM 864 CD LYS A 75 1.301 -8.708 6.406 1.00 1.52 C ATOM 865 CE LYS A 75 2.734 -9.167 6.189 1.00 1.90 C ATOM 866 NZ LYS A 75 3.418 -9.462 7.473 1.00 2.58 N ATOM 0 H LYS A 75 0.591 -10.715 1.612 1.00 0.44 H new ATOM 0 HA LYS A 75 -1.370 -9.320 3.340 1.00 0.52 H new ATOM 0 HB2 LYS A 75 0.256 -10.484 4.732 1.00 0.76 H new ATOM 0 HB3 LYS A 75 1.583 -9.801 3.812 1.00 0.76 H new ATOM 0 HG2 LYS A 75 1.092 -7.568 4.598 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -0.430 -8.081 5.301 1.00 1.20 H new ATOM 0 HD2 LYS A 75 1.297 -7.819 7.037 1.00 1.52 H new ATOM 0 HD3 LYS A 75 0.751 -9.481 6.942 1.00 1.52 H new ATOM 0 HE2 LYS A 75 2.739 -10.058 5.561 1.00 1.90 H new ATOM 0 HE3 LYS A 75 3.286 -8.395 5.652 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 3.952 -10.350 7.386 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 4.072 -8.687 7.704 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 2.711 -9.556 8.230 1.00 2.58 H new ATOM 880 N VAL A 76 -0.980 -7.425 1.790 1.00 0.42 N ATOM 881 CA VAL A 76 -0.770 -6.266 0.949 1.00 0.39 C ATOM 882 C VAL A 76 -0.952 -4.972 1.738 1.00 0.38 C ATOM 883 O VAL A 76 -1.942 -4.783 2.448 1.00 0.50 O ATOM 884 CB VAL A 76 -1.697 -6.288 -0.291 1.00 0.53 C ATOM 885 CG1 VAL A 76 -3.143 -6.524 0.105 1.00 0.88 C ATOM 886 CG2 VAL A 76 -1.568 -5.001 -1.088 1.00 1.16 C ATOM 0 H VAL A 76 -1.950 -7.579 2.064 1.00 0.42 H new ATOM 0 HA VAL A 76 0.260 -6.305 0.594 1.00 0.39 H new ATOM 0 HB VAL A 76 -1.381 -7.118 -0.923 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -3.768 -6.534 -0.788 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -3.228 -7.482 0.618 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -3.473 -5.726 0.770 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -2.229 -5.041 -1.954 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -1.844 -4.155 -0.459 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -0.538 -4.883 -1.423 1.00 1.16 H new ATOM 896 N LEU A 77 0.032 -4.099 1.620 1.00 0.35 N ATOM 897 CA LEU A 77 0.017 -2.822 2.301 1.00 0.41 C ATOM 898 C LEU A 77 -0.356 -1.729 1.308 1.00 0.39 C ATOM 899 O LEU A 77 0.263 -1.602 0.251 1.00 0.43 O ATOM 900 CB LEU A 77 1.400 -2.548 2.908 1.00 0.54 C ATOM 901 CG LEU A 77 1.435 -1.650 4.154 1.00 0.62 C ATOM 902 CD1 LEU A 77 2.852 -1.559 4.687 1.00 0.90 C ATOM 903 CD2 LEU A 77 0.903 -0.257 3.859 1.00 1.35 C ATOM 0 H LEU A 77 0.862 -4.257 1.049 1.00 0.35 H new ATOM 0 HA LEU A 77 -0.719 -2.837 3.104 1.00 0.41 H new ATOM 0 HB2 LEU A 77 1.856 -3.504 3.164 1.00 0.54 H new ATOM 0 HB3 LEU A 77 2.025 -2.092 2.141 1.00 0.54 H new ATOM 0 HG LEU A 77 0.788 -2.101 4.907 1.00 0.62 H new ATOM 0 HD11 LEU A 77 2.868 -0.921 5.570 1.00 0.90 H new ATOM 0 HD12 LEU A 77 3.205 -2.555 4.953 1.00 0.90 H new ATOM 0 HD13 LEU A 77 3.502 -1.136 3.921 1.00 0.90 H new ATOM 0 HD21 LEU A 77 0.944 0.348 4.765 1.00 1.35 H new ATOM 0 HD22 LEU A 77 1.512 0.209 3.084 1.00 1.35 H new ATOM 0 HD23 LEU A 77 -0.129 -0.327 3.516 1.00 1.35 H new ATOM 915 N VAL A 78 -1.377 -0.962 1.634 1.00 0.37 N ATOM 916 CA VAL A 78 -1.772 0.156 0.801 1.00 0.36 C ATOM 917 C VAL A 78 -1.249 1.451 1.400 1.00 0.36 C ATOM 918 O VAL A 78 -1.633 1.853 2.502 1.00 0.38 O ATOM 919 CB VAL A 78 -3.297 0.226 0.614 1.00 0.40 C ATOM 920 CG1 VAL A 78 -3.675 1.411 -0.266 1.00 1.00 C ATOM 921 CG2 VAL A 78 -3.805 -1.076 0.013 1.00 1.01 C ATOM 0 H VAL A 78 -1.948 -1.092 2.469 1.00 0.37 H new ATOM 0 HA VAL A 78 -1.335 0.009 -0.187 1.00 0.36 H new ATOM 0 HB VAL A 78 -3.766 0.367 1.588 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -4.758 1.444 -0.387 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -3.334 2.335 0.201 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -3.204 1.303 -1.243 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -4.886 -1.020 -0.117 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -3.331 -1.239 -0.955 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -3.562 -1.904 0.680 1.00 1.01 H new ATOM 931 N LEU A 79 -0.358 2.083 0.666 1.00 0.38 N ATOM 932 CA LEU A 79 0.350 3.254 1.136 1.00 0.40 C ATOM 933 C LEU A 79 -0.267 4.505 0.522 1.00 0.37 C ATOM 934 O LEU A 79 -0.278 4.659 -0.694 1.00 0.41 O ATOM 935 CB LEU A 79 1.823 3.121 0.736 1.00 0.46 C ATOM 936 CG LEU A 79 2.825 3.867 1.612 1.00 0.58 C ATOM 937 CD1 LEU A 79 2.768 3.354 3.043 1.00 1.23 C ATOM 938 CD2 LEU A 79 4.231 3.710 1.052 1.00 1.37 C ATOM 0 H LEU A 79 -0.103 1.797 -0.279 1.00 0.38 H new ATOM 0 HA LEU A 79 0.276 3.337 2.220 1.00 0.40 H new ATOM 0 HB2 LEU A 79 2.085 2.063 0.739 1.00 0.46 H new ATOM 0 HB3 LEU A 79 1.934 3.474 -0.289 1.00 0.46 H new ATOM 0 HG LEU A 79 2.563 4.925 1.614 1.00 0.58 H new ATOM 0 HD11 LEU A 79 3.489 3.897 3.653 1.00 1.23 H new ATOM 0 HD12 LEU A 79 1.766 3.506 3.444 1.00 1.23 H new ATOM 0 HD13 LEU A 79 3.008 2.291 3.058 1.00 1.23 H new ATOM 0 HD21 LEU A 79 4.937 4.247 1.686 1.00 1.37 H new ATOM 0 HD22 LEU A 79 4.497 2.653 1.027 1.00 1.37 H new ATOM 0 HD23 LEU A 79 4.268 4.117 0.042 1.00 1.37 H new ATOM 950 N ILE A 80 -0.807 5.381 1.353 1.00 0.41 N ATOM 951 CA ILE A 80 -1.438 6.599 0.859 1.00 0.43 C ATOM 952 C ILE A 80 -0.680 7.824 1.354 1.00 0.41 C ATOM 953 O ILE A 80 -0.692 8.135 2.542 1.00 0.42 O ATOM 954 CB ILE A 80 -2.918 6.693 1.297 1.00 0.54 C ATOM 955 CG1 ILE A 80 -3.671 5.421 0.893 1.00 1.23 C ATOM 956 CG2 ILE A 80 -3.581 7.922 0.680 1.00 1.39 C ATOM 957 CD1 ILE A 80 -5.115 5.391 1.351 1.00 1.40 C ATOM 0 H ILE A 80 -0.823 5.275 2.367 1.00 0.41 H new ATOM 0 HA ILE A 80 -1.407 6.565 -0.230 1.00 0.43 H new ATOM 0 HB ILE A 80 -2.954 6.791 2.382 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -3.642 5.323 -0.192 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -3.151 4.556 1.305 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -4.622 7.972 0.999 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -3.057 8.820 1.007 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -3.537 7.852 -0.407 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -5.580 4.460 1.027 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -5.153 5.457 2.438 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -5.652 6.235 0.917 1.00 1.40 H new ATOM 969 N THR A 81 -0.013 8.512 0.442 1.00 0.60 N ATOM 970 CA THR A 81 0.817 9.652 0.807 1.00 0.69 C ATOM 971 C THR A 81 0.169 10.968 0.379 1.00 0.79 C ATOM 972 O THR A 81 -0.286 11.105 -0.758 1.00 1.20 O ATOM 973 CB THR A 81 2.213 9.531 0.165 1.00 1.13 C ATOM 974 OG1 THR A 81 2.760 8.240 0.457 1.00 2.07 O ATOM 975 CG2 THR A 81 3.153 10.612 0.679 1.00 1.92 C ATOM 0 H THR A 81 -0.029 8.303 -0.556 1.00 0.60 H new ATOM 0 HA THR A 81 0.918 9.652 1.892 1.00 0.69 H new ATOM 0 HB THR A 81 2.107 9.658 -0.912 1.00 1.13 H new ATOM 0 HG1 THR A 81 3.647 8.160 0.048 1.00 2.07 H new ATOM 0 HG21 THR A 81 4.129 10.500 0.207 1.00 1.92 H new ATOM 0 HG22 THR A 81 2.745 11.594 0.439 1.00 1.92 H new ATOM 0 HG23 THR A 81 3.259 10.518 1.760 1.00 1.92 H new ATOM 983 N GLY A 82 0.109 11.921 1.301 1.00 0.73 N ATOM 984 CA GLY A 82 -0.402 13.238 0.976 1.00 1.09 C ATOM 985 C GLY A 82 -1.584 13.644 1.833 1.00 0.92 C ATOM 986 O GLY A 82 -1.995 12.909 2.735 1.00 1.03 O ATOM 0 H GLY A 82 0.406 11.804 2.270 1.00 0.73 H new ATOM 0 HA2 GLY A 82 0.396 13.971 1.097 1.00 1.09 H new ATOM 0 HA3 GLY A 82 -0.697 13.258 -0.073 1.00 1.09 H new ATOM 990 N SER A 83 -2.124 14.822 1.555 1.00 1.03 N ATOM 991 CA SER A 83 -3.269 15.336 2.285 1.00 1.19 C ATOM 992 C SER A 83 -4.553 14.724 1.735 1.00 1.10 C ATOM 993 O SER A 83 -5.063 15.145 0.694 1.00 1.22 O ATOM 994 CB SER A 83 -3.315 16.865 2.181 1.00 1.61 C ATOM 995 OG SER A 83 -4.363 17.407 2.966 1.00 2.22 O ATOM 0 H SER A 83 -1.782 15.443 0.822 1.00 1.03 H new ATOM 0 HA SER A 83 -3.175 15.063 3.336 1.00 1.19 H new ATOM 0 HB2 SER A 83 -2.362 17.282 2.507 1.00 1.61 H new ATOM 0 HB3 SER A 83 -3.451 17.156 1.139 1.00 1.61 H new ATOM 0 HG SER A 83 -4.365 18.383 2.880 1.00 2.22 H new ATOM 1001 N ALA A 84 -5.058 13.715 2.428 1.00 1.02 N ATOM 1002 CA ALA A 84 -6.277 13.040 2.018 1.00 0.95 C ATOM 1003 C ALA A 84 -7.476 13.969 2.148 1.00 0.97 C ATOM 1004 O ALA A 84 -7.663 14.617 3.180 1.00 1.13 O ATOM 1005 CB ALA A 84 -6.485 11.781 2.846 1.00 0.97 C ATOM 0 H ALA A 84 -4.639 13.345 3.281 1.00 1.02 H new ATOM 0 HA ALA A 84 -6.179 12.756 0.970 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -7.402 11.284 2.529 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -5.640 11.108 2.703 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -6.563 12.047 3.900 1.00 0.97 H new ATOM 1011 N ASP A 85 -8.270 14.044 1.090 1.00 0.89 N ATOM 1012 CA ASP A 85 -9.478 14.863 1.095 1.00 0.93 C ATOM 1013 C ASP A 85 -10.572 14.173 1.905 1.00 0.81 C ATOM 1014 O ASP A 85 -10.497 12.965 2.130 1.00 0.71 O ATOM 1015 CB ASP A 85 -9.966 15.125 -0.337 1.00 1.02 C ATOM 1016 CG ASP A 85 -9.043 16.036 -1.121 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -8.924 17.227 -0.761 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -8.439 15.571 -2.110 1.00 1.92 O ATOM 0 H ASP A 85 -8.101 13.548 0.215 1.00 0.89 H new ATOM 0 HA ASP A 85 -9.242 15.822 1.556 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -10.061 14.174 -0.862 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -10.961 15.569 -0.300 1.00 1.02 H new ATOM 1023 N PRO A 86 -11.591 14.926 2.366 1.00 0.92 N ATOM 1024 CA PRO A 86 -12.677 14.383 3.196 1.00 0.95 C ATOM 1025 C PRO A 86 -13.237 13.064 2.668 1.00 0.85 C ATOM 1026 O PRO A 86 -13.348 12.082 3.408 1.00 0.88 O ATOM 1027 CB PRO A 86 -13.739 15.476 3.127 1.00 1.11 C ATOM 1028 CG PRO A 86 -12.966 16.734 2.957 1.00 1.30 C ATOM 1029 CD PRO A 86 -11.762 16.373 2.129 1.00 1.11 C ATOM 0 HA PRO A 86 -12.335 14.149 4.204 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -14.422 15.314 2.293 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -14.343 15.501 4.034 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -13.566 17.497 2.461 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -12.667 17.142 3.923 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -11.924 16.589 1.073 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -10.881 16.936 2.438 1.00 1.11 H new ATOM 1037 N ASP A 87 -13.567 13.040 1.380 1.00 0.82 N ATOM 1038 CA ASP A 87 -14.156 11.855 0.771 1.00 0.86 C ATOM 1039 C ASP A 87 -13.140 10.729 0.689 1.00 0.74 C ATOM 1040 O ASP A 87 -13.485 9.563 0.868 1.00 0.79 O ATOM 1041 CB ASP A 87 -14.703 12.162 -0.626 1.00 1.02 C ATOM 1042 CG ASP A 87 -15.745 13.262 -0.615 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -15.453 14.364 -1.128 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -16.851 13.036 -0.082 1.00 2.21 O ATOM 0 H ASP A 87 -13.437 13.825 0.741 1.00 0.82 H new ATOM 0 HA ASP A 87 -14.984 11.540 1.405 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -13.880 12.453 -1.279 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -15.140 11.257 -1.048 1.00 1.02 H new ATOM 1049 N GLU A 88 -11.883 11.083 0.439 1.00 0.68 N ATOM 1050 CA GLU A 88 -10.815 10.094 0.344 1.00 0.67 C ATOM 1051 C GLU A 88 -10.658 9.354 1.663 1.00 0.55 C ATOM 1052 O GLU A 88 -10.462 8.139 1.682 1.00 0.54 O ATOM 1053 CB GLU A 88 -9.489 10.753 -0.042 1.00 0.80 C ATOM 1054 CG GLU A 88 -9.523 11.441 -1.393 1.00 1.02 C ATOM 1055 CD GLU A 88 -8.158 11.923 -1.841 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -7.856 11.811 -3.048 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -7.379 12.408 -0.993 1.00 2.32 O ATOM 0 H GLU A 88 -11.579 12.047 0.299 1.00 0.68 H new ATOM 0 HA GLU A 88 -11.087 9.382 -0.435 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -9.220 11.483 0.721 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -8.705 9.996 -0.049 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -9.922 10.751 -2.137 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -10.206 12.289 -1.346 1.00 1.02 H new ATOM 1064 N LYS A 89 -10.756 10.095 2.760 1.00 0.57 N ATOM 1065 CA LYS A 89 -10.670 9.511 4.092 1.00 0.62 C ATOM 1066 C LYS A 89 -11.800 8.516 4.311 1.00 0.59 C ATOM 1067 O LYS A 89 -11.577 7.404 4.785 1.00 0.64 O ATOM 1068 CB LYS A 89 -10.728 10.601 5.161 1.00 0.77 C ATOM 1069 CG LYS A 89 -9.581 11.591 5.082 1.00 1.34 C ATOM 1070 CD LYS A 89 -9.689 12.646 6.167 1.00 1.77 C ATOM 1071 CE LYS A 89 -8.543 13.638 6.087 1.00 2.39 C ATOM 1072 NZ LYS A 89 -8.635 14.678 7.143 1.00 2.81 N ATOM 0 H LYS A 89 -10.896 11.105 2.753 1.00 0.57 H new ATOM 0 HA LYS A 89 -9.717 8.988 4.172 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -11.670 11.141 5.067 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -10.726 10.133 6.145 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -8.633 11.062 5.179 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -9.579 12.071 4.103 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -10.638 13.174 6.071 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -9.690 12.166 7.146 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -7.596 13.107 6.182 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -8.544 14.115 5.107 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -7.834 15.335 7.054 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -9.527 15.202 7.037 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -8.609 14.226 8.079 1.00 2.81 H new ATOM 1086 N THR A 90 -13.012 8.918 3.948 1.00 0.62 N ATOM 1087 CA THR A 90 -14.178 8.061 4.091 1.00 0.69 C ATOM 1088 C THR A 90 -14.042 6.807 3.226 1.00 0.62 C ATOM 1089 O THR A 90 -14.307 5.693 3.686 1.00 0.69 O ATOM 1090 CB THR A 90 -15.463 8.818 3.708 1.00 0.86 C ATOM 1091 OG1 THR A 90 -15.533 10.047 4.445 1.00 1.33 O ATOM 1092 CG2 THR A 90 -16.700 7.980 3.995 1.00 1.17 C ATOM 0 H THR A 90 -13.211 9.836 3.551 1.00 0.62 H new ATOM 0 HA THR A 90 -14.242 7.762 5.137 1.00 0.69 H new ATOM 0 HB THR A 90 -15.432 9.027 2.639 1.00 0.86 H new ATOM 0 HG1 THR A 90 -14.916 10.700 4.052 1.00 1.33 H new ATOM 0 HG21 THR A 90 -17.592 8.540 3.715 1.00 1.17 H new ATOM 0 HG22 THR A 90 -16.655 7.056 3.418 1.00 1.17 H new ATOM 0 HG23 THR A 90 -16.740 7.742 5.058 1.00 1.17 H new ATOM 1100 N LYS A 91 -13.611 6.997 1.982 1.00 0.57 N ATOM 1101 CA LYS A 91 -13.410 5.889 1.055 1.00 0.64 C ATOM 1102 C LYS A 91 -12.364 4.917 1.587 1.00 0.63 C ATOM 1103 O LYS A 91 -12.574 3.707 1.587 1.00 0.73 O ATOM 1104 CB LYS A 91 -12.976 6.413 -0.317 1.00 0.73 C ATOM 1105 CG LYS A 91 -14.050 7.210 -1.038 1.00 1.06 C ATOM 1106 CD LYS A 91 -13.510 7.836 -2.313 1.00 1.51 C ATOM 1107 CE LYS A 91 -14.597 8.570 -3.083 1.00 1.83 C ATOM 1108 NZ LYS A 91 -15.679 7.654 -3.531 1.00 2.41 N ATOM 0 H LYS A 91 -13.393 7.914 1.592 1.00 0.57 H new ATOM 0 HA LYS A 91 -14.358 5.360 0.954 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -12.093 7.040 -0.193 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -12.682 5.569 -0.941 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -14.890 6.558 -1.278 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -14.430 7.991 -0.379 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -12.707 8.530 -2.066 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -13.077 7.060 -2.945 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -15.022 9.352 -2.454 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -14.157 9.063 -3.950 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -16.257 8.127 -4.254 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -15.259 6.792 -3.933 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -16.278 7.401 -2.719 1.00 2.41 H new ATOM 1122 N ALA A 92 -11.250 5.459 2.067 1.00 0.58 N ATOM 1123 CA ALA A 92 -10.147 4.641 2.541 1.00 0.67 C ATOM 1124 C ALA A 92 -10.524 3.938 3.833 1.00 0.68 C ATOM 1125 O ALA A 92 -10.231 2.761 4.011 1.00 0.78 O ATOM 1126 CB ALA A 92 -8.900 5.489 2.741 1.00 0.74 C ATOM 0 H ALA A 92 -11.090 6.464 2.137 1.00 0.58 H new ATOM 0 HA ALA A 92 -9.931 3.885 1.786 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -8.085 4.859 3.096 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -8.617 5.949 1.794 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -9.104 6.268 3.476 1.00 0.74 H new ATOM 1132 N LYS A 93 -11.188 4.667 4.720 1.00 0.64 N ATOM 1133 CA LYS A 93 -11.626 4.118 5.994 1.00 0.71 C ATOM 1134 C LYS A 93 -12.565 2.937 5.777 1.00 0.70 C ATOM 1135 O LYS A 93 -12.396 1.875 6.378 1.00 0.79 O ATOM 1136 CB LYS A 93 -12.326 5.200 6.821 1.00 0.80 C ATOM 1137 CG LYS A 93 -12.914 4.696 8.132 1.00 1.09 C ATOM 1138 CD LYS A 93 -13.598 5.814 8.906 1.00 1.56 C ATOM 1139 CE LYS A 93 -14.728 6.448 8.106 1.00 2.00 C ATOM 1140 NZ LYS A 93 -15.417 7.519 8.869 1.00 2.44 N ATOM 0 H LYS A 93 -11.436 5.646 4.578 1.00 0.64 H new ATOM 0 HA LYS A 93 -10.749 3.767 6.537 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -11.613 5.996 7.037 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -13.124 5.641 6.223 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -13.632 3.902 7.928 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -12.123 4.261 8.743 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -13.993 5.419 9.842 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -12.865 6.577 9.166 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -14.329 6.862 7.180 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -15.450 5.680 7.827 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -16.179 7.924 8.288 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -15.821 7.120 9.740 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -14.735 8.265 9.114 1.00 2.44 H new ATOM 1154 N LYS A 94 -13.541 3.134 4.901 1.00 0.66 N ATOM 1155 CA LYS A 94 -14.519 2.101 4.592 1.00 0.71 C ATOM 1156 C LYS A 94 -13.849 0.913 3.913 1.00 0.67 C ATOM 1157 O LYS A 94 -13.937 -0.220 4.388 1.00 0.74 O ATOM 1158 CB LYS A 94 -15.609 2.672 3.683 1.00 0.78 C ATOM 1159 CG LYS A 94 -16.665 1.656 3.268 1.00 1.36 C ATOM 1160 CD LYS A 94 -17.624 2.232 2.235 1.00 1.79 C ATOM 1161 CE LYS A 94 -16.927 2.537 0.915 1.00 2.57 C ATOM 1162 NZ LYS A 94 -16.445 1.306 0.236 1.00 2.85 N ATOM 0 H LYS A 94 -13.676 4.006 4.389 1.00 0.66 H new ATOM 0 HA LYS A 94 -14.969 1.759 5.524 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -16.098 3.500 4.196 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -15.143 3.082 2.787 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -16.178 0.771 2.859 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -17.226 1.334 4.146 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -18.436 1.526 2.061 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -18.073 3.145 2.627 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -17.615 3.067 0.257 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -16.084 3.203 1.097 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -15.963 1.564 -0.649 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -15.781 0.804 0.859 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -17.254 0.688 0.022 1.00 2.85 H new ATOM 1176 N ALA A 95 -13.155 1.193 2.816 1.00 0.60 N ATOM 1177 CA ALA A 95 -12.555 0.153 1.994 1.00 0.60 C ATOM 1178 C ALA A 95 -11.511 -0.650 2.763 1.00 0.57 C ATOM 1179 O ALA A 95 -11.331 -1.841 2.510 1.00 0.57 O ATOM 1180 CB ALA A 95 -11.942 0.764 0.748 1.00 0.63 C ATOM 0 H ALA A 95 -12.994 2.141 2.474 1.00 0.60 H new ATOM 0 HA ALA A 95 -13.346 -0.538 1.704 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -11.495 -0.022 0.139 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -12.716 1.272 0.173 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -11.173 1.481 1.035 1.00 0.63 H new ATOM 1186 N ALA A 96 -10.832 0.005 3.701 1.00 0.57 N ATOM 1187 CA ALA A 96 -9.814 -0.651 4.512 1.00 0.58 C ATOM 1188 C ALA A 96 -10.392 -1.848 5.251 1.00 0.56 C ATOM 1189 O ALA A 96 -9.855 -2.945 5.168 1.00 0.59 O ATOM 1190 CB ALA A 96 -9.201 0.325 5.504 1.00 0.64 C ATOM 0 H ALA A 96 -10.970 0.992 3.918 1.00 0.57 H new ATOM 0 HA ALA A 96 -9.033 -1.004 3.839 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -8.444 -0.187 6.098 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -8.740 1.152 4.963 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -9.979 0.711 6.163 1.00 0.64 H new ATOM 1196 N GLU A 97 -11.499 -1.634 5.952 1.00 0.57 N ATOM 1197 CA GLU A 97 -12.130 -2.698 6.724 1.00 0.63 C ATOM 1198 C GLU A 97 -12.650 -3.795 5.801 1.00 0.55 C ATOM 1199 O GLU A 97 -12.502 -4.986 6.084 1.00 0.58 O ATOM 1200 CB GLU A 97 -13.280 -2.141 7.561 1.00 0.80 C ATOM 1201 CG GLU A 97 -13.920 -3.177 8.470 1.00 1.46 C ATOM 1202 CD GLU A 97 -15.161 -2.660 9.160 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -15.032 -1.864 10.109 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -16.276 -3.054 8.759 1.00 2.39 O ATOM 0 H GLU A 97 -11.978 -0.735 6.002 1.00 0.57 H new ATOM 0 HA GLU A 97 -11.380 -3.124 7.390 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -12.911 -1.314 8.168 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -14.040 -1.733 6.895 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -14.176 -4.060 7.884 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -13.196 -3.492 9.221 1.00 1.46 H new ATOM 1211 N GLU A 98 -13.241 -3.378 4.688 1.00 0.55 N ATOM 1212 CA GLU A 98 -13.821 -4.307 3.726 1.00 0.57 C ATOM 1213 C GLU A 98 -12.751 -5.214 3.130 1.00 0.52 C ATOM 1214 O GLU A 98 -12.963 -6.415 2.957 1.00 0.60 O ATOM 1215 CB GLU A 98 -14.522 -3.535 2.607 1.00 0.66 C ATOM 1216 CG GLU A 98 -15.568 -2.553 3.105 1.00 1.40 C ATOM 1217 CD GLU A 98 -16.218 -1.777 1.979 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -17.387 -2.069 1.650 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -15.565 -0.878 1.412 1.00 2.66 O ATOM 0 H GLU A 98 -13.331 -2.396 4.428 1.00 0.55 H new ATOM 0 HA GLU A 98 -14.548 -4.927 4.250 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -13.774 -2.993 2.028 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -14.996 -4.245 1.930 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -16.335 -3.094 3.659 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -15.104 -1.855 3.802 1.00 1.40 H new ATOM 1226 N ALA A 99 -11.598 -4.635 2.830 1.00 0.46 N ATOM 1227 CA ALA A 99 -10.519 -5.362 2.182 1.00 0.49 C ATOM 1228 C ALA A 99 -9.581 -6.008 3.195 1.00 0.46 C ATOM 1229 O ALA A 99 -8.783 -6.876 2.845 1.00 0.50 O ATOM 1230 CB ALA A 99 -9.740 -4.428 1.273 1.00 0.58 C ATOM 0 H ALA A 99 -11.386 -3.657 3.027 1.00 0.46 H new ATOM 0 HA ALA A 99 -10.965 -6.161 1.590 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -8.933 -4.979 0.791 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -10.406 -4.021 0.513 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -9.321 -3.613 1.862 1.00 0.58 H new ATOM 1236 N ARG A 100 -9.692 -5.597 4.452 1.00 0.47 N ATOM 1237 CA ARG A 100 -8.797 -6.073 5.506 1.00 0.53 C ATOM 1238 C ARG A 100 -8.953 -7.577 5.724 1.00 0.51 C ATOM 1239 O ARG A 100 -8.133 -8.208 6.388 1.00 0.56 O ATOM 1240 CB ARG A 100 -9.062 -5.314 6.809 1.00 0.64 C ATOM 1241 CG ARG A 100 -7.960 -5.462 7.842 1.00 1.22 C ATOM 1242 CD ARG A 100 -8.209 -4.568 9.044 1.00 1.52 C ATOM 1243 NE ARG A 100 -7.127 -4.652 10.024 1.00 2.17 N ATOM 1244 CZ ARG A 100 -7.037 -3.875 11.101 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -7.951 -2.939 11.331 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -6.024 -4.031 11.943 1.00 3.77 N ATOM 0 H ARG A 100 -10.396 -4.931 4.770 1.00 0.47 H new ATOM 0 HA ARG A 100 -7.771 -5.884 5.190 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -9.194 -4.256 6.581 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -9.999 -5.667 7.239 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -7.898 -6.501 8.165 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -7.000 -5.211 7.392 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -8.317 -3.536 8.711 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -9.149 -4.851 9.517 1.00 1.52 H new ATOM 0 HE ARG A 100 -6.397 -5.348 9.873 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -8.727 -2.813 10.681 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -7.877 -2.346 12.158 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -5.317 -4.744 11.764 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -5.952 -3.437 12.769 1.00 3.77 H new ATOM 1260 N LYS A 101 -9.998 -8.147 5.133 1.00 0.51 N ATOM 1261 CA LYS A 101 -10.233 -9.584 5.196 1.00 0.58 C ATOM 1262 C LYS A 101 -9.134 -10.328 4.436 1.00 0.63 C ATOM 1263 O LYS A 101 -8.893 -11.515 4.662 1.00 0.81 O ATOM 1264 CB LYS A 101 -11.594 -9.933 4.584 1.00 0.74 C ATOM 1265 CG LYS A 101 -12.716 -8.970 4.950 1.00 1.37 C ATOM 1266 CD LYS A 101 -12.915 -8.860 6.453 1.00 1.81 C ATOM 1267 CE LYS A 101 -14.047 -7.899 6.788 1.00 2.63 C ATOM 1268 NZ LYS A 101 -14.223 -7.732 8.253 1.00 3.24 N ATOM 0 H LYS A 101 -10.700 -7.631 4.602 1.00 0.51 H new ATOM 0 HA LYS A 101 -10.224 -9.887 6.243 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -11.494 -9.959 3.499 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -11.875 -10.937 4.903 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -12.493 -7.984 4.542 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -13.644 -9.304 4.486 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -13.135 -9.844 6.867 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -11.992 -8.517 6.921 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -13.844 -6.929 6.335 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -14.975 -8.267 6.351 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -15.004 -7.070 8.436 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -14.442 -8.653 8.684 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -13.346 -7.356 8.667 1.00 3.24 H new ATOM 1282 N TRP A 102 -8.476 -9.610 3.531 1.00 0.57 N ATOM 1283 CA TRP A 102 -7.396 -10.168 2.729 1.00 0.71 C ATOM 1284 C TRP A 102 -6.051 -9.636 3.217 1.00 0.64 C ATOM 1285 O TRP A 102 -5.072 -9.620 2.473 1.00 0.73 O ATOM 1286 CB TRP A 102 -7.581 -9.790 1.256 1.00 0.84 C ATOM 1287 CG TRP A 102 -8.932 -10.118 0.701 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -10.030 -9.304 0.686 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -9.328 -11.339 0.070 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -11.083 -9.947 0.086 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -10.678 -11.198 -0.301 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -8.670 -12.538 -0.218 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -11.381 -12.212 -0.944 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -9.371 -13.543 -0.856 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -10.713 -13.374 -1.214 1.00 2.21 C ATOM 0 H TRP A 102 -8.676 -8.629 3.335 1.00 0.57 H new ATOM 0 HA TRP A 102 -7.417 -11.253 2.830 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -7.404 -8.720 1.143 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -6.823 -10.303 0.663 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -10.064 -8.302 1.087 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -12.016 -9.557 -0.050 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -7.634 -12.676 0.053 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -12.417 -12.086 -1.220 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -8.875 -14.475 -1.082 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -11.232 -14.178 -1.714 1.00 2.21 H new ATOM 1306 N ASN A 103 -6.026 -9.190 4.474 1.00 0.56 N ATOM 1307 CA ASN A 103 -4.840 -8.571 5.076 1.00 0.64 C ATOM 1308 C ASN A 103 -4.444 -7.288 4.354 1.00 0.56 C ATOM 1309 O ASN A 103 -3.267 -6.923 4.323 1.00 0.70 O ATOM 1310 CB ASN A 103 -3.642 -9.528 5.118 1.00 0.89 C ATOM 1311 CG ASN A 103 -3.571 -10.326 6.406 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -3.038 -9.851 7.414 1.00 1.58 O ATOM 1313 ND2 ASN A 103 -4.076 -11.548 6.380 1.00 2.00 N ATOM 0 H ASN A 103 -6.826 -9.247 5.104 1.00 0.56 H new ATOM 0 HA ASN A 103 -5.118 -8.327 6.101 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -3.702 -10.215 4.274 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -2.722 -8.956 4.999 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -4.033 -12.135 7.213 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -4.508 -11.903 5.527 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.425 -6.606 3.775 1.00 0.46 N ATOM 1321 CA VAL A 104 -5.183 -5.310 3.162 1.00 0.45 C ATOM 1322 C VAL A 104 -5.116 -4.243 4.244 1.00 0.48 C ATOM 1323 O VAL A 104 -6.126 -3.904 4.861 1.00 0.63 O ATOM 1324 CB VAL A 104 -6.278 -4.940 2.136 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -5.998 -3.581 1.513 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -6.388 -6.008 1.059 1.00 0.99 C ATOM 0 H VAL A 104 -6.391 -6.929 3.718 1.00 0.46 H new ATOM 0 HA VAL A 104 -4.235 -5.366 2.627 1.00 0.45 H new ATOM 0 HB VAL A 104 -7.230 -4.884 2.663 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -6.782 -3.342 0.794 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -5.977 -2.820 2.293 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -5.034 -3.606 1.004 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -7.164 -5.728 0.347 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -5.435 -6.100 0.539 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -6.644 -6.963 1.518 1.00 0.99 H new ATOM 1336 N ARG A 105 -3.919 -3.742 4.490 1.00 0.45 N ATOM 1337 CA ARG A 105 -3.705 -2.776 5.555 1.00 0.48 C ATOM 1338 C ARG A 105 -3.348 -1.418 4.970 1.00 0.44 C ATOM 1339 O ARG A 105 -2.518 -1.326 4.066 1.00 0.51 O ATOM 1340 CB ARG A 105 -2.596 -3.267 6.485 1.00 0.59 C ATOM 1341 CG ARG A 105 -2.792 -4.705 6.939 1.00 1.28 C ATOM 1342 CD ARG A 105 -1.663 -5.173 7.835 1.00 1.72 C ATOM 1343 NE ARG A 105 -1.738 -6.610 8.101 1.00 2.38 N ATOM 1344 CZ ARG A 105 -0.859 -7.279 8.845 1.00 3.11 C ATOM 1345 NH1 ARG A 105 0.143 -6.639 9.434 1.00 3.33 N ATOM 1346 NH2 ARG A 105 -0.989 -8.590 9.012 1.00 4.06 N ATOM 0 H ARG A 105 -3.079 -3.988 3.967 1.00 0.45 H new ATOM 0 HA ARG A 105 -4.625 -2.671 6.130 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -1.637 -3.181 5.974 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -2.550 -2.619 7.360 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -3.739 -4.792 7.472 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -2.857 -5.356 6.067 1.00 1.28 H new ATOM 0 HD2 ARG A 105 -0.707 -4.940 7.366 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -1.697 -4.627 8.778 1.00 1.72 H new ATOM 0 HE ARG A 105 -2.512 -7.132 7.691 1.00 2.38 H new ATOM 0 HH11 ARG A 105 0.242 -5.631 9.318 1.00 3.33 H new ATOM 0 HH12 ARG A 105 0.814 -7.155 10.003 1.00 3.33 H new ATOM 0 HH21 ARG A 105 -1.763 -9.086 8.570 1.00 4.06 H new ATOM 0 HH22 ARG A 105 -0.315 -9.101 9.582 1.00 4.06 H new ATOM 1360 N VAL A 106 -3.974 -0.371 5.482 1.00 0.47 N ATOM 1361 CA VAL A 106 -3.762 0.970 4.961 1.00 0.48 C ATOM 1362 C VAL A 106 -2.858 1.780 5.881 1.00 0.50 C ATOM 1363 O VAL A 106 -2.969 1.705 7.107 1.00 0.64 O ATOM 1364 CB VAL A 106 -5.095 1.723 4.755 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -5.956 1.008 3.729 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -5.852 1.874 6.069 1.00 1.58 C ATOM 0 H VAL A 106 -4.634 -0.424 6.258 1.00 0.47 H new ATOM 0 HA VAL A 106 -3.277 0.856 3.992 1.00 0.48 H new ATOM 0 HB VAL A 106 -4.862 2.721 4.384 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -6.891 1.552 3.596 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -5.425 0.961 2.778 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -6.170 -0.003 4.075 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -6.786 2.408 5.892 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -6.070 0.888 6.479 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -5.242 2.435 6.778 1.00 1.58 H new ATOM 1376 N ARG A 107 -1.945 2.532 5.286 1.00 0.46 N ATOM 1377 CA ARG A 107 -1.051 3.399 6.040 1.00 0.58 C ATOM 1378 C ARG A 107 -0.895 4.739 5.338 1.00 0.49 C ATOM 1379 O ARG A 107 -0.506 4.799 4.170 1.00 0.48 O ATOM 1380 CB ARG A 107 0.322 2.740 6.224 1.00 0.74 C ATOM 1381 CG ARG A 107 0.321 1.514 7.133 1.00 1.02 C ATOM 1382 CD ARG A 107 0.192 1.883 8.609 1.00 0.90 C ATOM 1383 NE ARG A 107 -1.115 2.450 8.943 1.00 1.58 N ATOM 1384 CZ ARG A 107 -1.454 2.875 10.159 1.00 2.15 C ATOM 1385 NH1 ARG A 107 -0.619 2.715 11.181 1.00 2.26 N ATOM 1386 NH2 ARG A 107 -2.642 3.435 10.357 1.00 3.00 N ATOM 0 H ARG A 107 -1.803 2.559 4.276 1.00 0.46 H new ATOM 0 HA ARG A 107 -1.490 3.564 7.024 1.00 0.58 H new ATOM 0 HB2 ARG A 107 0.706 2.450 5.246 1.00 0.74 H new ATOM 0 HB3 ARG A 107 1.013 3.478 6.632 1.00 0.74 H new ATOM 0 HG2 ARG A 107 -0.503 0.858 6.852 1.00 1.02 H new ATOM 0 HG3 ARG A 107 1.242 0.952 6.981 1.00 1.02 H new ATOM 0 HD2 ARG A 107 0.363 0.994 9.217 1.00 0.90 H new ATOM 0 HD3 ARG A 107 0.970 2.601 8.868 1.00 0.90 H new ATOM 0 HE ARG A 107 -1.809 2.524 8.199 1.00 1.58 H new ATOM 0 HH11 ARG A 107 0.285 2.265 11.035 1.00 2.26 H new ATOM 0 HH12 ARG A 107 -0.882 3.042 12.111 1.00 2.26 H new ATOM 0 HH21 ARG A 107 -3.293 3.539 9.579 1.00 3.00 H new ATOM 0 HH22 ARG A 107 -2.903 3.761 11.287 1.00 3.00 H new ATOM 1400 N THR A 108 -1.219 5.807 6.048 1.00 0.56 N ATOM 1401 CA THR A 108 -1.090 7.147 5.507 1.00 0.51 C ATOM 1402 C THR A 108 0.324 7.675 5.736 1.00 0.52 C ATOM 1403 O THR A 108 0.919 7.461 6.797 1.00 0.66 O ATOM 1404 CB THR A 108 -2.115 8.105 6.144 1.00 0.59 C ATOM 1405 OG1 THR A 108 -3.426 7.525 6.078 1.00 0.86 O ATOM 1406 CG2 THR A 108 -2.121 9.455 5.435 1.00 0.68 C ATOM 0 H THR A 108 -1.574 5.770 7.003 1.00 0.56 H new ATOM 0 HA THR A 108 -1.287 7.097 4.436 1.00 0.51 H new ATOM 0 HB THR A 108 -1.831 8.263 7.184 1.00 0.59 H new ATOM 0 HG1 THR A 108 -4.075 8.136 6.485 1.00 0.86 H new ATOM 0 HG21 THR A 108 -2.854 10.110 5.906 1.00 0.68 H new ATOM 0 HG22 THR A 108 -1.132 9.907 5.505 1.00 0.68 H new ATOM 0 HG23 THR A 108 -2.382 9.314 4.386 1.00 0.68 H new ATOM 1414 N VAL A 109 0.861 8.342 4.729 1.00 0.47 N ATOM 1415 CA VAL A 109 2.205 8.882 4.790 1.00 0.55 C ATOM 1416 C VAL A 109 2.179 10.400 4.653 1.00 0.57 C ATOM 1417 O VAL A 109 1.595 10.940 3.711 1.00 0.62 O ATOM 1418 CB VAL A 109 3.092 8.281 3.680 1.00 0.67 C ATOM 1419 CG1 VAL A 109 4.502 8.842 3.739 1.00 1.51 C ATOM 1420 CG2 VAL A 109 3.120 6.767 3.783 1.00 1.05 C ATOM 0 H VAL A 109 0.378 8.523 3.849 1.00 0.47 H new ATOM 0 HA VAL A 109 2.625 8.616 5.760 1.00 0.55 H new ATOM 0 HB VAL A 109 2.659 8.559 2.719 1.00 0.67 H new ATOM 0 HG11 VAL A 109 5.103 8.400 2.945 1.00 1.51 H new ATOM 0 HG12 VAL A 109 4.469 9.924 3.609 1.00 1.51 H new ATOM 0 HG13 VAL A 109 4.947 8.606 4.705 1.00 1.51 H new ATOM 0 HG21 VAL A 109 3.750 6.360 2.992 1.00 1.05 H new ATOM 0 HG22 VAL A 109 3.522 6.476 4.753 1.00 1.05 H new ATOM 0 HG23 VAL A 109 2.108 6.376 3.677 1.00 1.05 H new ATOM 1430 N THR A 110 2.788 11.079 5.607 1.00 0.70 N ATOM 1431 CA THR A 110 2.901 12.526 5.559 1.00 0.84 C ATOM 1432 C THR A 110 4.362 12.946 5.410 1.00 0.84 C ATOM 1433 O THR A 110 4.664 14.009 4.867 1.00 0.97 O ATOM 1434 CB THR A 110 2.283 13.175 6.815 1.00 1.02 C ATOM 1435 OG1 THR A 110 2.726 12.501 8.004 1.00 1.55 O ATOM 1436 CG2 THR A 110 0.765 13.132 6.749 1.00 1.45 C ATOM 0 H THR A 110 3.214 10.650 6.428 1.00 0.70 H new ATOM 0 HA THR A 110 2.346 12.875 4.689 1.00 0.84 H new ATOM 0 HB THR A 110 2.611 14.214 6.849 1.00 1.02 H new ATOM 0 HG1 THR A 110 3.513 11.955 7.796 1.00 1.55 H new ATOM 0 HG21 THR A 110 0.349 13.595 7.644 1.00 1.45 H new ATOM 0 HG22 THR A 110 0.424 13.675 5.868 1.00 1.45 H new ATOM 0 HG23 THR A 110 0.433 12.096 6.688 1.00 1.45 H new ATOM 1444 N SER A 111 5.259 12.099 5.896 1.00 0.79 N ATOM 1445 CA SER A 111 6.689 12.321 5.770 1.00 0.85 C ATOM 1446 C SER A 111 7.343 11.068 5.179 1.00 0.76 C ATOM 1447 O SER A 111 6.966 9.946 5.517 1.00 0.69 O ATOM 1448 CB SER A 111 7.278 12.649 7.147 1.00 0.96 C ATOM 1449 OG SER A 111 8.669 12.911 7.070 1.00 1.52 O ATOM 0 H SER A 111 5.014 11.240 6.388 1.00 0.79 H new ATOM 0 HA SER A 111 6.882 13.162 5.104 1.00 0.85 H new ATOM 0 HB2 SER A 111 6.766 13.516 7.565 1.00 0.96 H new ATOM 0 HB3 SER A 111 7.101 11.816 7.827 1.00 0.96 H new ATOM 0 HG SER A 111 9.148 12.321 7.689 1.00 1.52 H new ATOM 1455 N PRO A 112 8.325 11.257 4.272 1.00 0.82 N ATOM 1456 CA PRO A 112 8.950 10.164 3.502 1.00 0.80 C ATOM 1457 C PRO A 112 9.524 9.041 4.361 1.00 0.70 C ATOM 1458 O PRO A 112 9.653 7.905 3.898 1.00 0.74 O ATOM 1459 CB PRO A 112 10.080 10.856 2.738 1.00 0.95 C ATOM 1460 CG PRO A 112 9.684 12.286 2.667 1.00 1.05 C ATOM 1461 CD PRO A 112 8.903 12.567 3.917 1.00 0.97 C ATOM 0 HA PRO A 112 8.207 9.673 2.873 1.00 0.80 H new ATOM 0 HB2 PRO A 112 11.034 10.737 3.252 1.00 0.95 H new ATOM 0 HB3 PRO A 112 10.200 10.431 1.742 1.00 0.95 H new ATOM 0 HG2 PRO A 112 10.561 12.930 2.603 1.00 1.05 H new ATOM 0 HG3 PRO A 112 9.081 12.479 1.780 1.00 1.05 H new ATOM 0 HD2 PRO A 112 9.543 12.950 4.711 1.00 0.97 H new ATOM 0 HD3 PRO A 112 8.127 13.313 3.745 1.00 0.97 H new ATOM 1469 N ASP A 113 9.874 9.354 5.601 1.00 0.67 N ATOM 1470 CA ASP A 113 10.450 8.361 6.501 1.00 0.66 C ATOM 1471 C ASP A 113 9.393 7.361 6.954 1.00 0.59 C ATOM 1472 O ASP A 113 9.709 6.216 7.269 1.00 0.63 O ATOM 1473 CB ASP A 113 11.102 9.027 7.721 1.00 0.74 C ATOM 1474 CG ASP A 113 10.123 9.822 8.561 1.00 1.73 C ATOM 1475 OD1 ASP A 113 9.518 9.245 9.490 1.00 2.48 O ATOM 1476 OD2 ASP A 113 9.966 11.036 8.303 1.00 2.44 O ATOM 0 H ASP A 113 9.770 10.284 6.007 1.00 0.67 H new ATOM 0 HA ASP A 113 11.223 7.827 5.948 1.00 0.66 H new ATOM 0 HB2 ASP A 113 11.564 8.260 8.342 1.00 0.74 H new ATOM 0 HB3 ASP A 113 11.901 9.687 7.383 1.00 0.74 H new ATOM 1481 N GLU A 114 8.135 7.790 6.958 1.00 0.57 N ATOM 1482 CA GLU A 114 7.039 6.930 7.380 1.00 0.60 C ATOM 1483 C GLU A 114 6.825 5.806 6.377 1.00 0.52 C ATOM 1484 O GLU A 114 6.664 4.654 6.761 1.00 0.52 O ATOM 1485 CB GLU A 114 5.748 7.730 7.536 1.00 0.73 C ATOM 1486 CG GLU A 114 5.847 8.863 8.539 1.00 1.18 C ATOM 1487 CD GLU A 114 4.548 9.623 8.665 1.00 1.99 C ATOM 1488 OE1 GLU A 114 4.207 10.382 7.734 1.00 2.63 O ATOM 1489 OE2 GLU A 114 3.856 9.463 9.693 1.00 2.70 O ATOM 0 H GLU A 114 7.851 8.728 6.674 1.00 0.57 H new ATOM 0 HA GLU A 114 7.305 6.501 8.346 1.00 0.60 H new ATOM 0 HB2 GLU A 114 5.466 8.140 6.566 1.00 0.73 H new ATOM 0 HB3 GLU A 114 4.948 7.055 7.842 1.00 0.73 H new ATOM 0 HG2 GLU A 114 6.128 8.462 9.513 1.00 1.18 H new ATOM 0 HG3 GLU A 114 6.639 9.547 8.236 1.00 1.18 H new ATOM 1496 N ALA A 115 6.839 6.154 5.094 1.00 0.55 N ATOM 1497 CA ALA A 115 6.651 5.175 4.024 1.00 0.58 C ATOM 1498 C ALA A 115 7.692 4.068 4.120 1.00 0.51 C ATOM 1499 O ALA A 115 7.362 2.881 4.105 1.00 0.51 O ATOM 1500 CB ALA A 115 6.739 5.858 2.668 1.00 0.70 C ATOM 0 H ALA A 115 6.979 7.110 4.767 1.00 0.55 H new ATOM 0 HA ALA A 115 5.662 4.730 4.134 1.00 0.58 H new ATOM 0 HB1 ALA A 115 6.598 5.120 1.879 1.00 0.70 H new ATOM 0 HB2 ALA A 115 5.964 6.621 2.594 1.00 0.70 H new ATOM 0 HB3 ALA A 115 7.718 6.324 2.558 1.00 0.70 H new ATOM 1506 N LYS A 116 8.945 4.480 4.242 1.00 0.51 N ATOM 1507 CA LYS A 116 10.062 3.554 4.356 1.00 0.51 C ATOM 1508 C LYS A 116 9.951 2.731 5.639 1.00 0.44 C ATOM 1509 O LYS A 116 10.375 1.574 5.699 1.00 0.49 O ATOM 1510 CB LYS A 116 11.372 4.346 4.318 1.00 0.64 C ATOM 1511 CG LYS A 116 12.623 3.503 4.484 1.00 1.38 C ATOM 1512 CD LYS A 116 13.850 4.225 3.953 1.00 1.43 C ATOM 1513 CE LYS A 116 14.085 5.549 4.661 1.00 1.80 C ATOM 1514 NZ LYS A 116 15.129 6.355 3.979 1.00 2.33 N ATOM 0 H LYS A 116 9.216 5.463 4.265 1.00 0.51 H new ATOM 0 HA LYS A 116 10.045 2.855 3.520 1.00 0.51 H new ATOM 0 HB2 LYS A 116 11.432 4.879 3.369 1.00 0.64 H new ATOM 0 HB3 LYS A 116 11.349 5.099 5.106 1.00 0.64 H new ATOM 0 HG2 LYS A 116 12.766 3.265 5.538 1.00 1.38 H new ATOM 0 HG3 LYS A 116 12.499 2.557 3.957 1.00 1.38 H new ATOM 0 HD2 LYS A 116 14.726 3.588 4.076 1.00 1.43 H new ATOM 0 HD3 LYS A 116 13.732 4.402 2.884 1.00 1.43 H new ATOM 0 HE2 LYS A 116 13.153 6.114 4.696 1.00 1.80 H new ATOM 0 HE3 LYS A 116 14.384 5.363 5.692 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 15.433 7.129 4.604 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 15.944 5.749 3.755 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 14.741 6.752 3.099 1.00 2.33 H new ATOM 1528 N ARG A 117 9.361 3.331 6.656 1.00 0.42 N ATOM 1529 CA ARG A 117 9.170 2.670 7.935 1.00 0.44 C ATOM 1530 C ARG A 117 8.059 1.627 7.851 1.00 0.43 C ATOM 1531 O ARG A 117 8.239 0.487 8.282 1.00 0.50 O ATOM 1532 CB ARG A 117 8.842 3.708 9.003 1.00 0.57 C ATOM 1533 CG ARG A 117 8.611 3.130 10.385 1.00 0.90 C ATOM 1534 CD ARG A 117 8.342 4.233 11.390 1.00 1.39 C ATOM 1535 NE ARG A 117 9.482 5.142 11.513 1.00 1.99 N ATOM 1536 CZ ARG A 117 9.499 6.399 11.058 1.00 2.83 C ATOM 1537 NH1 ARG A 117 8.424 6.933 10.491 1.00 3.30 N ATOM 1538 NH2 ARG A 117 10.596 7.133 11.183 1.00 3.61 N ATOM 0 H ARG A 117 9.002 4.285 6.620 1.00 0.42 H new ATOM 0 HA ARG A 117 10.093 2.156 8.203 1.00 0.44 H new ATOM 0 HB2 ARG A 117 9.658 4.429 9.055 1.00 0.57 H new ATOM 0 HB3 ARG A 117 7.951 4.257 8.698 1.00 0.57 H new ATOM 0 HG2 ARG A 117 7.767 2.441 10.360 1.00 0.90 H new ATOM 0 HG3 ARG A 117 9.483 2.554 10.694 1.00 0.90 H new ATOM 0 HD2 ARG A 117 7.459 4.795 11.086 1.00 1.39 H new ATOM 0 HD3 ARG A 117 8.120 3.793 12.362 1.00 1.39 H new ATOM 0 HE ARG A 117 10.320 4.793 11.977 1.00 1.99 H new ATOM 0 HH11 ARG A 117 7.570 6.383 10.398 1.00 3.30 H new ATOM 0 HH12 ARG A 117 8.452 7.893 10.149 1.00 3.30 H new ATOM 0 HH21 ARG A 117 11.426 6.739 11.626 1.00 3.61 H new ATOM 0 HH22 ARG A 117 10.610 8.092 10.836 1.00 3.61 H new ATOM 1552 N TRP A 118 6.918 2.019 7.286 1.00 0.43 N ATOM 1553 CA TRP A 118 5.763 1.133 7.197 1.00 0.51 C ATOM 1554 C TRP A 118 6.116 -0.155 6.466 1.00 0.51 C ATOM 1555 O TRP A 118 5.858 -1.250 6.964 1.00 0.60 O ATOM 1556 CB TRP A 118 4.588 1.807 6.474 1.00 0.59 C ATOM 1557 CG TRP A 118 3.997 2.992 7.187 1.00 0.89 C ATOM 1558 CD1 TRP A 118 3.638 4.181 6.619 1.00 0.98 C ATOM 1559 CD2 TRP A 118 3.687 3.106 8.584 1.00 1.69 C ATOM 1560 NE1 TRP A 118 3.118 5.023 7.570 1.00 1.51 N ATOM 1561 CE2 TRP A 118 3.142 4.391 8.783 1.00 2.00 C ATOM 1562 CE3 TRP A 118 3.815 2.254 9.686 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 2.727 4.838 10.031 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 3.403 2.703 10.925 1.00 3.18 C ATOM 1565 CH2 TRP A 118 2.864 3.984 11.089 1.00 3.39 C ATOM 0 H TRP A 118 6.771 2.945 6.884 1.00 0.43 H new ATOM 0 HA TRP A 118 5.466 0.903 8.220 1.00 0.51 H new ATOM 0 HB2 TRP A 118 4.923 2.126 5.487 1.00 0.59 H new ATOM 0 HB3 TRP A 118 3.803 1.066 6.320 1.00 0.59 H new ATOM 0 HD1 TRP A 118 3.748 4.424 5.572 1.00 0.98 H new ATOM 0 HE1 TRP A 118 2.770 5.967 7.400 1.00 1.51 H new ATOM 0 HE3 TRP A 118 4.229 1.263 9.570 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 2.311 5.826 10.161 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 3.498 2.054 11.783 1.00 3.18 H new ATOM 0 HH2 TRP A 118 2.550 4.304 12.072 1.00 3.39 H new ATOM 1576 N ILE A 119 6.715 -0.013 5.287 1.00 0.48 N ATOM 1577 CA ILE A 119 7.054 -1.162 4.455 1.00 0.54 C ATOM 1578 C ILE A 119 7.913 -2.163 5.225 1.00 0.53 C ATOM 1579 O ILE A 119 7.624 -3.360 5.237 1.00 0.58 O ATOM 1580 CB ILE A 119 7.787 -0.731 3.163 1.00 0.60 C ATOM 1581 CG1 ILE A 119 6.886 0.182 2.323 1.00 0.67 C ATOM 1582 CG2 ILE A 119 8.218 -1.950 2.350 1.00 0.69 C ATOM 1583 CD1 ILE A 119 7.555 0.721 1.075 1.00 0.81 C ATOM 0 H ILE A 119 6.976 0.888 4.886 1.00 0.48 H new ATOM 0 HA ILE A 119 6.116 -1.642 4.176 1.00 0.54 H new ATOM 0 HB ILE A 119 8.683 -0.178 3.444 1.00 0.60 H new ATOM 0 HG12 ILE A 119 5.992 -0.371 2.035 1.00 0.67 H new ATOM 0 HG13 ILE A 119 6.558 1.020 2.939 1.00 0.67 H new ATOM 0 HG21 ILE A 119 8.731 -1.622 1.446 1.00 0.69 H new ATOM 0 HG22 ILE A 119 8.891 -2.566 2.946 1.00 0.69 H new ATOM 0 HG23 ILE A 119 7.339 -2.534 2.076 1.00 0.69 H new ATOM 0 HD11 ILE A 119 6.856 1.358 0.533 1.00 0.81 H new ATOM 0 HD12 ILE A 119 8.433 1.303 1.355 1.00 0.81 H new ATOM 0 HD13 ILE A 119 7.858 -0.109 0.437 1.00 0.81 H new ATOM 1595 N LYS A 120 8.942 -1.664 5.898 1.00 0.52 N ATOM 1596 CA LYS A 120 9.868 -2.526 6.620 1.00 0.57 C ATOM 1597 C LYS A 120 9.198 -3.164 7.837 1.00 0.56 C ATOM 1598 O LYS A 120 9.365 -4.359 8.090 1.00 0.61 O ATOM 1599 CB LYS A 120 11.105 -1.738 7.056 1.00 0.66 C ATOM 1600 CG LYS A 120 12.171 -2.600 7.715 1.00 1.08 C ATOM 1601 CD LYS A 120 13.401 -1.792 8.091 1.00 1.68 C ATOM 1602 CE LYS A 120 14.496 -2.680 8.663 1.00 2.25 C ATOM 1603 NZ LYS A 120 14.065 -3.367 9.910 1.00 2.76 N ATOM 0 H LYS A 120 9.156 -0.669 5.959 1.00 0.52 H new ATOM 0 HA LYS A 120 10.175 -3.323 5.943 1.00 0.57 H new ATOM 0 HB2 LYS A 120 11.536 -1.243 6.186 1.00 0.66 H new ATOM 0 HB3 LYS A 120 10.801 -0.955 7.751 1.00 0.66 H new ATOM 0 HG2 LYS A 120 11.758 -3.069 8.608 1.00 1.08 H new ATOM 0 HG3 LYS A 120 12.458 -3.404 7.037 1.00 1.08 H new ATOM 0 HD2 LYS A 120 13.777 -1.269 7.212 1.00 1.68 H new ATOM 0 HD3 LYS A 120 13.129 -1.031 8.822 1.00 1.68 H new ATOM 0 HE2 LYS A 120 14.783 -3.424 7.920 1.00 2.25 H new ATOM 0 HE3 LYS A 120 15.380 -2.077 8.869 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 14.886 -3.824 10.356 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 13.656 -2.671 10.566 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 13.351 -4.087 9.680 1.00 2.76 H new ATOM 1617 N GLU A 121 8.426 -2.371 8.574 1.00 0.56 N ATOM 1618 CA GLU A 121 7.805 -2.841 9.811 1.00 0.63 C ATOM 1619 C GLU A 121 6.749 -3.912 9.531 1.00 0.67 C ATOM 1620 O GLU A 121 6.629 -4.889 10.277 1.00 0.79 O ATOM 1621 CB GLU A 121 7.183 -1.668 10.578 1.00 0.71 C ATOM 1622 CG GLU A 121 6.686 -2.043 11.965 1.00 1.18 C ATOM 1623 CD GLU A 121 6.127 -0.864 12.733 1.00 1.87 C ATOM 1624 OE1 GLU A 121 6.918 -0.087 13.307 1.00 2.50 O ATOM 1625 OE2 GLU A 121 4.889 -0.717 12.786 1.00 2.57 O ATOM 0 H GLU A 121 8.215 -1.401 8.338 1.00 0.56 H new ATOM 0 HA GLU A 121 8.585 -3.290 10.426 1.00 0.63 H new ATOM 0 HB2 GLU A 121 7.922 -0.872 10.669 1.00 0.71 H new ATOM 0 HB3 GLU A 121 6.351 -1.267 9.999 1.00 0.71 H new ATOM 0 HG2 GLU A 121 5.915 -2.808 11.874 1.00 1.18 H new ATOM 0 HG3 GLU A 121 7.506 -2.483 12.532 1.00 1.18 H new ATOM 1632 N PHE A 122 5.992 -3.739 8.455 1.00 0.65 N ATOM 1633 CA PHE A 122 4.953 -4.700 8.098 1.00 0.76 C ATOM 1634 C PHE A 122 5.547 -5.944 7.445 1.00 0.78 C ATOM 1635 O PHE A 122 4.973 -7.032 7.540 1.00 0.89 O ATOM 1636 CB PHE A 122 3.911 -4.060 7.182 1.00 0.86 C ATOM 1637 CG PHE A 122 2.922 -3.199 7.917 1.00 1.36 C ATOM 1638 CD1 PHE A 122 3.225 -1.889 8.249 1.00 2.24 C ATOM 1639 CD2 PHE A 122 1.684 -3.705 8.276 1.00 1.98 C ATOM 1640 CE1 PHE A 122 2.315 -1.101 8.924 1.00 2.95 C ATOM 1641 CE2 PHE A 122 0.769 -2.921 8.952 1.00 2.74 C ATOM 1642 CZ PHE A 122 1.084 -1.619 9.276 1.00 3.02 C ATOM 0 H PHE A 122 6.076 -2.948 7.817 1.00 0.65 H new ATOM 0 HA PHE A 122 4.459 -5.008 9.020 1.00 0.76 H new ATOM 0 HB2 PHE A 122 4.420 -3.456 6.430 1.00 0.86 H new ATOM 0 HB3 PHE A 122 3.374 -4.845 6.650 1.00 0.86 H new ATOM 0 HD1 PHE A 122 4.186 -1.479 7.976 1.00 2.24 H new ATOM 0 HD2 PHE A 122 1.431 -4.724 8.025 1.00 1.98 H new ATOM 0 HE1 PHE A 122 2.565 -0.081 9.177 1.00 2.95 H new ATOM 0 HE2 PHE A 122 -0.193 -3.328 9.226 1.00 2.74 H new ATOM 0 HZ PHE A 122 0.370 -1.005 9.804 1.00 3.02 H new ATOM 1652 N SER A 123 6.688 -5.787 6.784 1.00 0.72 N ATOM 1653 CA SER A 123 7.410 -6.930 6.242 1.00 0.79 C ATOM 1654 C SER A 123 7.998 -7.748 7.385 1.00 0.81 C ATOM 1655 O SER A 123 7.835 -8.971 7.429 1.00 1.02 O ATOM 1656 CB SER A 123 8.516 -6.468 5.291 1.00 0.82 C ATOM 1657 OG SER A 123 7.975 -5.762 4.189 1.00 1.40 O ATOM 0 H SER A 123 7.131 -4.884 6.611 1.00 0.72 H new ATOM 0 HA SER A 123 6.717 -7.552 5.676 1.00 0.79 H new ATOM 0 HB2 SER A 123 9.218 -5.830 5.827 1.00 0.82 H new ATOM 0 HB3 SER A 123 9.078 -7.331 4.934 1.00 0.82 H new ATOM 0 HG SER A 123 7.575 -4.924 4.502 1.00 1.40 H new ATOM 1663 N GLU A 124 8.657 -7.058 8.317 1.00 0.80 N ATOM 1664 CA GLU A 124 9.160 -7.669 9.543 1.00 1.00 C ATOM 1665 C GLU A 124 10.177 -8.769 9.237 1.00 1.48 C ATOM 1666 O GLU A 124 9.860 -9.962 9.259 1.00 2.09 O ATOM 1667 CB GLU A 124 7.990 -8.211 10.367 1.00 1.88 C ATOM 1668 CG GLU A 124 8.358 -8.649 11.772 1.00 2.61 C ATOM 1669 CD GLU A 124 7.136 -8.977 12.598 1.00 3.54 C ATOM 1670 OE1 GLU A 124 6.891 -10.173 12.866 1.00 4.12 O ATOM 1671 OE2 GLU A 124 6.402 -8.038 12.970 1.00 4.14 O ATOM 0 H GLU A 124 8.856 -6.060 8.241 1.00 0.80 H new ATOM 0 HA GLU A 124 9.677 -6.907 10.127 1.00 1.00 H new ATOM 0 HB2 GLU A 124 7.220 -7.442 10.430 1.00 1.88 H new ATOM 0 HB3 GLU A 124 7.552 -9.058 9.839 1.00 1.88 H new ATOM 0 HG2 GLU A 124 9.007 -9.523 11.721 1.00 2.61 H new ATOM 0 HG3 GLU A 124 8.926 -7.858 12.262 1.00 2.61 H new