USER MOD reduce.3.24.130724 H: found=0, std=0, add=1402, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1400 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 3 THR OG1 : rot -140:sc= -0.105 USER MOD Set 1.2: B 7 HIS : no HD1:sc= -0.319 X(o=-0.42,f=-0.12) USER MOD Set 2.1: A 3 THR OG1 : rot -140:sc= -0.11 USER MOD Set 2.2: A 7 HIS : no HD1:sc= -0.332 X(o=-0.44,f=-0.14) USER MOD Single : A 1 MET CE :methyl 164:sc= -1.12 (180deg=-1.13) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 6:sc= 0.956 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 149:sc= -0.22 (180deg=-0.811) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -90:sc= -0.431 USER MOD Single : A 32 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0357) USER MOD Single : A 33 LYS NZ :NH3+ 153:sc= -0.093 (180deg=-0.69) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.489 USER MOD Single : A 48 GLN : amide:sc= -3.51! C(o=-3.5!,f=-1.5!) USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= -1.22! (180deg=-1.36!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 160:sc= -0.0389 (180deg=-0.494) USER MOD Single : A 66 THR OG1 : rot 103:sc= 0.904 USER MOD Single : A 67 CYS SG : rot -61:sc= 0.56 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= -0.0215 (180deg=-0.418) USER MOD Single : A 73 GLN : amide:sc= -1.27! C(o=-1.3!,f=-6.9!) USER MOD Single : A 74 SER OG : rot 110:sc= -0.598 USER MOD Single : A 77 CYS SG : rot -14:sc= -1.98 USER MOD Single : A 80 CYS SG : rot 86:sc= -0.141 USER MOD Single : A 85 CYS SG : rot 85:sc= 0.138 USER MOD Single : B 1 MET CE :methyl -149:sc= -1.11 (180deg=-1.13) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 THR OG1 : rot 6:sc= 0.901 USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 MET CE :methyl 139:sc= -0.209 (180deg=-0.759) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 SER OG : rot 9:sc= -0.427 USER MOD Single : B 32 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0431) USER MOD Single : B 33 LYS NZ :NH3+ 153:sc= -0.0808 (180deg=-0.717) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 TYR OH : rot 180:sc= -0.0608 USER MOD Single : B 48 GLN : amide:sc= -3.83! C(o=-3.8!,f=-1.5!) USER MOD Single : B 53 LYS NZ :NH3+ 178:sc= -2.96! (180deg=-3.1!) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 159:sc= -0.0749 (180deg=-0.532) USER MOD Single : B 66 THR OG1 : rot 93:sc= 0.869 USER MOD Single : B 67 CYS SG : rot -61:sc= 0.845 USER MOD Single : B 70 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : B 72 LYS NZ :NH3+ 163:sc= -0.041 (180deg=-0.439) USER MOD Single : B 73 GLN : amide:sc= -1.43! C(o=-1.4!,f=-6.5!) USER MOD Single : B 74 SER OG : rot 110:sc= -0.612 USER MOD Single : B 77 CYS SG : rot -17:sc= -1.89 USER MOD Single : B 80 CYS SG : rot 86:sc= -0.14 USER MOD Single : B 85 CYS SG : rot 84:sc= 0.145 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 118.716 -9.522 13.791 1.00 3.75 N ATOM 2 CA MET A 1 119.432 -9.007 12.588 1.00 3.27 C ATOM 3 C MET A 1 119.897 -10.186 11.730 1.00 2.28 C ATOM 4 O MET A 1 121.031 -10.613 11.810 1.00 2.68 O ATOM 5 CB MET A 1 120.647 -8.189 13.032 1.00 3.76 C ATOM 6 CG MET A 1 121.251 -7.465 11.827 1.00 4.33 C ATOM 7 SD MET A 1 120.132 -6.148 11.291 1.00 5.05 S ATOM 8 CE MET A 1 121.067 -5.631 9.831 1.00 5.68 C ATOM 0 H1 MET A 1 118.399 -8.722 14.375 1.00 3.75 H new ATOM 0 H2 MET A 1 117.891 -10.080 13.492 1.00 3.75 H new ATOM 0 H3 MET A 1 119.358 -10.123 14.346 1.00 3.75 H new ATOM 0 HA MET A 1 118.761 -8.376 12.006 1.00 3.27 H new ATOM 0 HB2 MET A 1 120.352 -7.466 13.792 1.00 3.76 H new ATOM 0 HB3 MET A 1 121.391 -8.843 13.486 1.00 3.76 H new ATOM 0 HG2 MET A 1 122.222 -7.047 12.090 1.00 4.33 H new ATOM 0 HG3 MET A 1 121.417 -8.169 11.012 1.00 4.33 H new ATOM 0 HE1 MET A 1 120.430 -5.025 9.187 1.00 5.68 H new ATOM 0 HE2 MET A 1 121.932 -5.045 10.142 1.00 5.68 H new ATOM 0 HE3 MET A 1 121.403 -6.512 9.284 1.00 5.68 H new ATOM 20 N THR A 2 119.030 -10.716 10.907 1.00 1.63 N ATOM 21 CA THR A 2 119.424 -11.869 10.040 1.00 1.44 C ATOM 22 C THR A 2 119.956 -11.344 8.706 1.00 1.17 C ATOM 23 O THR A 2 119.220 -10.805 7.902 1.00 1.22 O ATOM 24 CB THR A 2 118.204 -12.755 9.777 1.00 2.22 C ATOM 25 OG1 THR A 2 117.281 -12.052 8.958 1.00 2.76 O ATOM 26 CG2 THR A 2 117.537 -13.124 11.103 1.00 3.02 C ATOM 0 H THR A 2 118.066 -10.401 10.797 1.00 1.63 H new ATOM 0 HA THR A 2 120.197 -12.450 10.544 1.00 1.44 H new ATOM 0 HB THR A 2 118.520 -13.667 9.271 1.00 2.22 H new ATOM 0 HG1 THR A 2 117.677 -11.201 8.675 1.00 2.76 H new ATOM 0 HG21 THR A 2 116.669 -13.755 10.911 1.00 3.02 H new ATOM 0 HG22 THR A 2 118.247 -13.665 11.729 1.00 3.02 H new ATOM 0 HG23 THR A 2 117.219 -12.216 11.615 1.00 3.02 H new ATOM 34 N THR A 3 121.227 -11.500 8.462 1.00 0.96 N ATOM 35 CA THR A 3 121.811 -11.014 7.180 1.00 0.75 C ATOM 36 C THR A 3 121.650 -12.094 6.109 1.00 0.69 C ATOM 37 O THR A 3 121.384 -13.241 6.407 1.00 0.74 O ATOM 38 CB THR A 3 123.296 -10.710 7.385 1.00 0.68 C ATOM 39 OG1 THR A 3 124.005 -11.928 7.570 1.00 0.79 O ATOM 40 CG2 THR A 3 123.467 -9.826 8.621 1.00 0.75 C ATOM 0 H THR A 3 121.889 -11.945 9.097 1.00 0.96 H new ATOM 0 HA THR A 3 121.296 -10.108 6.860 1.00 0.75 H new ATOM 0 HB THR A 3 123.688 -10.191 6.510 1.00 0.68 H new ATOM 0 HG1 THR A 3 124.685 -11.808 8.265 1.00 0.79 H new ATOM 0 HG21 THR A 3 124.525 -9.608 8.769 1.00 0.75 H new ATOM 0 HG22 THR A 3 122.921 -8.893 8.480 1.00 0.75 H new ATOM 0 HG23 THR A 3 123.078 -10.345 9.497 1.00 0.75 H new ATOM 48 N SER A 4 121.811 -11.739 4.864 1.00 0.63 N ATOM 49 CA SER A 4 121.668 -12.748 3.778 1.00 0.61 C ATOM 50 C SER A 4 122.948 -13.582 3.697 1.00 0.60 C ATOM 51 O SER A 4 123.937 -13.295 4.342 1.00 0.57 O ATOM 52 CB SER A 4 121.433 -12.037 2.445 1.00 0.63 C ATOM 53 OG SER A 4 120.232 -11.282 2.523 1.00 1.51 O ATOM 0 H SER A 4 122.035 -10.794 4.552 1.00 0.63 H new ATOM 0 HA SER A 4 120.820 -13.399 3.991 1.00 0.61 H new ATOM 0 HB2 SER A 4 122.274 -11.382 2.215 1.00 0.63 H new ATOM 0 HB3 SER A 4 121.367 -12.766 1.637 1.00 0.63 H new ATOM 0 HG SER A 4 120.078 -10.823 1.671 1.00 1.51 H new ATOM 59 N GLN A 5 122.920 -14.630 2.920 1.00 0.63 N ATOM 60 CA GLN A 5 124.111 -15.518 2.796 1.00 0.64 C ATOM 61 C GLN A 5 125.306 -14.724 2.270 1.00 0.60 C ATOM 62 O GLN A 5 126.445 -15.044 2.548 1.00 0.59 O ATOM 63 CB GLN A 5 123.795 -16.649 1.814 1.00 0.71 C ATOM 64 CG GLN A 5 122.752 -17.586 2.429 1.00 1.34 C ATOM 65 CD GLN A 5 122.424 -18.701 1.435 1.00 1.60 C ATOM 66 OE1 GLN A 5 122.712 -18.586 0.261 1.00 2.09 O ATOM 67 NE2 GLN A 5 121.824 -19.779 1.858 1.00 2.18 N ATOM 0 H GLN A 5 122.115 -14.912 2.360 1.00 0.63 H new ATOM 0 HA GLN A 5 124.354 -15.927 3.777 1.00 0.64 H new ATOM 0 HB2 GLN A 5 123.421 -16.237 0.877 1.00 0.71 H new ATOM 0 HB3 GLN A 5 124.703 -17.204 1.578 1.00 0.71 H new ATOM 0 HG2 GLN A 5 123.132 -18.012 3.358 1.00 1.34 H new ATOM 0 HG3 GLN A 5 121.849 -17.029 2.679 1.00 1.34 H new ATOM 0 HE21 GLN A 5 121.583 -19.875 2.844 1.00 2.18 H new ATOM 0 HE22 GLN A 5 121.596 -20.527 1.202 1.00 2.18 H new ATOM 76 N LYS A 6 125.066 -13.696 1.503 1.00 0.59 N ATOM 77 CA LYS A 6 126.191 -12.894 0.953 1.00 0.57 C ATOM 78 C LYS A 6 127.008 -12.301 2.100 1.00 0.51 C ATOM 79 O LYS A 6 128.219 -12.229 2.038 1.00 0.50 O ATOM 80 CB LYS A 6 125.626 -11.759 0.102 1.00 0.58 C ATOM 81 CG LYS A 6 125.013 -12.343 -1.171 1.00 0.65 C ATOM 82 CD LYS A 6 124.446 -11.216 -2.031 1.00 0.81 C ATOM 83 CE LYS A 6 123.830 -11.807 -3.300 1.00 1.26 C ATOM 84 NZ LYS A 6 123.591 -10.720 -4.289 1.00 2.02 N ATOM 0 H LYS A 6 124.135 -13.377 1.234 1.00 0.59 H new ATOM 0 HA LYS A 6 126.830 -13.534 0.345 1.00 0.57 H new ATOM 0 HB2 LYS A 6 124.872 -11.208 0.664 1.00 0.58 H new ATOM 0 HB3 LYS A 6 126.415 -11.051 -0.152 1.00 0.58 H new ATOM 0 HG2 LYS A 6 125.768 -12.896 -1.730 1.00 0.65 H new ATOM 0 HG3 LYS A 6 124.224 -13.051 -0.915 1.00 0.65 H new ATOM 0 HD2 LYS A 6 123.693 -10.661 -1.472 1.00 0.81 H new ATOM 0 HD3 LYS A 6 125.235 -10.510 -2.291 1.00 0.81 H new ATOM 0 HE2 LYS A 6 124.496 -12.559 -3.724 1.00 1.26 H new ATOM 0 HE3 LYS A 6 122.892 -12.309 -3.062 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 123.172 -11.122 -5.152 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 122.940 -10.018 -3.883 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 124.494 -10.260 -4.524 1.00 2.02 H new ATOM 98 N HIS A 7 126.357 -11.854 3.137 1.00 0.49 N ATOM 99 CA HIS A 7 127.105 -11.246 4.270 1.00 0.45 C ATOM 100 C HIS A 7 128.088 -12.255 4.872 1.00 0.45 C ATOM 101 O HIS A 7 129.254 -11.963 5.033 1.00 0.43 O ATOM 102 CB HIS A 7 126.106 -10.783 5.339 1.00 0.45 C ATOM 103 CG HIS A 7 126.844 -10.314 6.563 1.00 0.42 C ATOM 104 ND1 HIS A 7 127.235 -8.994 6.738 1.00 0.38 N ATOM 105 CD2 HIS A 7 127.268 -10.982 7.685 1.00 0.45 C ATOM 106 CE1 HIS A 7 127.862 -8.911 7.927 1.00 0.38 C ATOM 107 NE2 HIS A 7 127.907 -10.095 8.540 1.00 0.42 N ATOM 0 H HIS A 7 125.344 -11.883 3.248 1.00 0.49 H new ATOM 0 HA HIS A 7 127.676 -10.392 3.904 1.00 0.45 H new ATOM 0 HB2 HIS A 7 125.488 -9.976 4.946 1.00 0.45 H new ATOM 0 HB3 HIS A 7 125.435 -11.601 5.600 1.00 0.45 H new ATOM 0 HD2 HIS A 7 127.126 -12.036 7.873 1.00 0.45 H new ATOM 0 HE1 HIS A 7 128.276 -8.000 8.333 1.00 0.38 H new ATOM 0 HE2 HIS A 7 128.324 -10.305 9.447 1.00 0.42 H new ATOM 115 N ARG A 8 127.639 -13.445 5.207 1.00 0.48 N ATOM 116 CA ARG A 8 128.559 -14.463 5.797 1.00 0.50 C ATOM 117 C ARG A 8 129.534 -14.957 4.728 1.00 0.51 C ATOM 118 O ARG A 8 130.675 -15.269 5.006 1.00 0.51 O ATOM 119 CB ARG A 8 127.742 -15.660 6.310 1.00 0.55 C ATOM 120 CG ARG A 8 126.788 -15.234 7.439 1.00 0.57 C ATOM 121 CD ARG A 8 127.526 -15.177 8.782 1.00 1.00 C ATOM 122 NE ARG A 8 127.917 -16.555 9.199 1.00 1.69 N ATOM 123 CZ ARG A 8 128.803 -16.719 10.145 1.00 2.27 C ATOM 124 NH1 ARG A 8 129.349 -15.678 10.715 1.00 2.42 N ATOM 125 NH2 ARG A 8 129.144 -17.922 10.522 1.00 3.21 N ATOM 0 H ARG A 8 126.673 -13.751 5.095 1.00 0.48 H new ATOM 0 HA ARG A 8 129.110 -14.008 6.620 1.00 0.50 H new ATOM 0 HB2 ARG A 8 127.170 -16.092 5.489 1.00 0.55 H new ATOM 0 HB3 ARG A 8 128.416 -16.436 6.672 1.00 0.55 H new ATOM 0 HG2 ARG A 8 126.361 -14.257 7.212 1.00 0.57 H new ATOM 0 HG3 ARG A 8 125.958 -15.937 7.505 1.00 0.57 H new ATOM 0 HD2 ARG A 8 128.412 -14.548 8.695 1.00 1.00 H new ATOM 0 HD3 ARG A 8 126.887 -14.725 9.540 1.00 1.00 H new ATOM 0 HE ARG A 8 127.494 -17.366 8.747 1.00 1.69 H new ATOM 0 HH11 ARG A 8 129.083 -14.738 10.421 1.00 2.42 H new ATOM 0 HH12 ARG A 8 130.041 -15.805 11.454 1.00 2.42 H new ATOM 0 HH21 ARG A 8 128.718 -18.736 10.078 1.00 3.21 H new ATOM 0 HH22 ARG A 8 129.836 -18.048 11.261 1.00 3.21 H new ATOM 139 N ASP A 9 129.087 -15.043 3.512 1.00 0.52 N ATOM 140 CA ASP A 9 129.982 -15.527 2.425 1.00 0.54 C ATOM 141 C ASP A 9 131.077 -14.499 2.153 1.00 0.49 C ATOM 142 O ASP A 9 132.213 -14.842 1.895 1.00 0.49 O ATOM 143 CB ASP A 9 129.176 -15.757 1.147 1.00 0.61 C ATOM 144 CG ASP A 9 128.259 -16.968 1.331 1.00 0.68 C ATOM 145 OD1 ASP A 9 128.540 -17.771 2.206 1.00 0.67 O ATOM 146 OD2 ASP A 9 127.295 -17.072 0.594 1.00 0.76 O ATOM 0 H ASP A 9 128.140 -14.800 3.220 1.00 0.52 H new ATOM 0 HA ASP A 9 130.437 -16.466 2.740 1.00 0.54 H new ATOM 0 HB2 ASP A 9 128.584 -14.872 0.914 1.00 0.61 H new ATOM 0 HB3 ASP A 9 129.849 -15.922 0.305 1.00 0.61 H new ATOM 151 N PHE A 10 130.743 -13.240 2.194 1.00 0.46 N ATOM 152 CA PHE A 10 131.765 -12.192 1.919 1.00 0.43 C ATOM 153 C PHE A 10 132.843 -12.204 3.012 1.00 0.38 C ATOM 154 O PHE A 10 134.024 -12.144 2.731 1.00 0.36 O ATOM 155 CB PHE A 10 131.069 -10.827 1.900 1.00 0.45 C ATOM 156 CG PHE A 10 132.014 -9.768 1.385 1.00 0.43 C ATOM 157 CD1 PHE A 10 132.855 -9.085 2.269 1.00 0.43 C ATOM 158 CD2 PHE A 10 132.042 -9.466 0.018 1.00 0.44 C ATOM 159 CE1 PHE A 10 133.725 -8.099 1.786 1.00 0.43 C ATOM 160 CE2 PHE A 10 132.910 -8.480 -0.465 1.00 0.44 C ATOM 161 CZ PHE A 10 133.752 -7.797 0.420 1.00 0.43 C ATOM 0 H PHE A 10 129.808 -12.891 2.406 1.00 0.46 H new ATOM 0 HA PHE A 10 132.241 -12.387 0.958 1.00 0.43 H new ATOM 0 HB2 PHE A 10 130.182 -10.872 1.268 1.00 0.45 H new ATOM 0 HB3 PHE A 10 130.733 -10.568 2.904 1.00 0.45 H new ATOM 0 HD1 PHE A 10 132.834 -9.317 3.323 1.00 0.43 H new ATOM 0 HD2 PHE A 10 131.393 -9.995 -0.665 1.00 0.44 H new ATOM 0 HE1 PHE A 10 134.375 -7.572 2.468 1.00 0.43 H new ATOM 0 HE2 PHE A 10 132.930 -8.247 -1.519 1.00 0.44 H new ATOM 0 HZ PHE A 10 134.423 -7.037 0.048 1.00 0.43 H new ATOM 171 N VAL A 11 132.446 -12.270 4.259 1.00 0.37 N ATOM 172 CA VAL A 11 133.446 -12.272 5.373 1.00 0.35 C ATOM 173 C VAL A 11 133.940 -13.697 5.660 1.00 0.37 C ATOM 174 O VAL A 11 134.660 -13.927 6.611 1.00 0.38 O ATOM 175 CB VAL A 11 132.792 -11.694 6.630 1.00 0.37 C ATOM 176 CG1 VAL A 11 132.235 -10.303 6.321 1.00 0.44 C ATOM 177 CG2 VAL A 11 131.654 -12.611 7.073 1.00 0.40 C ATOM 0 H VAL A 11 131.471 -12.323 4.554 1.00 0.37 H new ATOM 0 HA VAL A 11 134.302 -11.664 5.081 1.00 0.35 H new ATOM 0 HB VAL A 11 133.533 -11.619 7.426 1.00 0.37 H new ATOM 0 HG11 VAL A 11 131.769 -9.891 7.216 1.00 0.44 H new ATOM 0 HG12 VAL A 11 133.046 -9.649 6.000 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.493 -10.377 5.526 1.00 0.44 H new ATOM 0 HG21 VAL A 11 131.185 -12.203 7.968 1.00 0.40 H new ATOM 0 HG22 VAL A 11 130.913 -12.683 6.276 1.00 0.40 H new ATOM 0 HG23 VAL A 11 132.050 -13.603 7.291 1.00 0.40 H new ATOM 187 N ALA A 12 133.575 -14.651 4.838 1.00 0.41 N ATOM 188 CA ALA A 12 134.040 -16.062 5.051 1.00 0.48 C ATOM 189 C ALA A 12 135.180 -16.391 4.083 1.00 0.46 C ATOM 190 O ALA A 12 135.871 -17.378 4.237 1.00 0.49 O ATOM 191 CB ALA A 12 132.880 -17.028 4.801 1.00 0.54 C ATOM 0 H ALA A 12 132.973 -14.515 4.026 1.00 0.41 H new ATOM 0 HA ALA A 12 134.394 -16.165 6.077 1.00 0.48 H new ATOM 0 HB1 ALA A 12 133.219 -18.052 4.956 1.00 0.54 H new ATOM 0 HB2 ALA A 12 132.067 -16.807 5.492 1.00 0.54 H new ATOM 0 HB3 ALA A 12 132.526 -16.914 3.776 1.00 0.54 H new ATOM 197 N GLU A 13 135.385 -15.572 3.087 1.00 0.43 N ATOM 198 CA GLU A 13 136.483 -15.836 2.110 1.00 0.43 C ATOM 199 C GLU A 13 136.920 -14.509 1.480 1.00 0.40 C ATOM 200 O GLU A 13 136.134 -13.585 1.392 1.00 0.37 O ATOM 201 CB GLU A 13 135.964 -16.776 1.017 1.00 0.46 C ATOM 202 CG GLU A 13 134.562 -16.339 0.593 1.00 0.48 C ATOM 203 CD GLU A 13 134.147 -17.103 -0.665 1.00 0.61 C ATOM 204 OE1 GLU A 13 133.642 -18.204 -0.525 1.00 1.26 O ATOM 205 OE2 GLU A 13 134.344 -16.574 -1.747 1.00 1.05 O ATOM 0 H GLU A 13 134.839 -14.730 2.907 1.00 0.43 H new ATOM 0 HA GLU A 13 137.331 -16.297 2.616 1.00 0.43 H new ATOM 0 HB2 GLU A 13 136.636 -16.760 0.159 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.941 -17.802 1.385 1.00 0.46 H new ATOM 0 HG2 GLU A 13 133.852 -16.529 1.398 1.00 0.48 H new ATOM 0 HG3 GLU A 13 134.547 -15.266 0.401 1.00 0.48 H new ATOM 212 N PRO A 14 138.151 -14.404 1.026 1.00 0.42 N ATOM 213 CA PRO A 14 138.652 -13.160 0.382 1.00 0.40 C ATOM 214 C PRO A 14 137.577 -12.498 -0.487 1.00 0.36 C ATOM 215 O PRO A 14 136.647 -13.140 -0.935 1.00 0.36 O ATOM 216 CB PRO A 14 139.821 -13.660 -0.469 1.00 0.45 C ATOM 217 CG PRO A 14 140.377 -14.824 0.295 1.00 0.49 C ATOM 218 CD PRO A 14 139.201 -15.443 1.074 1.00 0.48 C ATOM 0 HA PRO A 14 138.939 -12.395 1.104 1.00 0.40 H new ATOM 0 HB2 PRO A 14 139.488 -13.961 -1.462 1.00 0.45 H new ATOM 0 HB3 PRO A 14 140.572 -12.882 -0.607 1.00 0.45 H new ATOM 0 HG2 PRO A 14 140.821 -15.555 -0.381 1.00 0.49 H new ATOM 0 HG3 PRO A 14 141.164 -14.500 0.975 1.00 0.49 H new ATOM 0 HD2 PRO A 14 138.864 -16.372 0.615 1.00 0.48 H new ATOM 0 HD3 PRO A 14 139.482 -15.678 2.100 1.00 0.48 H new ATOM 226 N MET A 15 137.689 -11.219 -0.720 1.00 0.35 N ATOM 227 CA MET A 15 136.666 -10.510 -1.551 1.00 0.35 C ATOM 228 C MET A 15 137.108 -10.469 -3.017 1.00 0.36 C ATOM 229 O MET A 15 136.294 -10.431 -3.920 1.00 0.39 O ATOM 230 CB MET A 15 136.464 -9.086 -1.018 1.00 0.37 C ATOM 231 CG MET A 15 137.809 -8.359 -0.905 1.00 0.41 C ATOM 232 SD MET A 15 137.611 -6.888 0.135 1.00 0.57 S ATOM 233 CE MET A 15 137.028 -5.757 -1.151 1.00 0.43 C ATOM 0 H MET A 15 138.445 -10.630 -0.371 1.00 0.35 H new ATOM 0 HA MET A 15 135.722 -11.051 -1.490 1.00 0.35 H new ATOM 0 HB2 MET A 15 135.800 -8.533 -1.683 1.00 0.37 H new ATOM 0 HB3 MET A 15 135.980 -9.122 -0.042 1.00 0.37 H new ATOM 0 HG2 MET A 15 138.559 -9.023 -0.476 1.00 0.41 H new ATOM 0 HG3 MET A 15 138.165 -8.073 -1.895 1.00 0.41 H new ATOM 0 HE1 MET A 15 136.353 -5.023 -0.711 1.00 0.43 H new ATOM 0 HE2 MET A 15 137.880 -5.244 -1.598 1.00 0.43 H new ATOM 0 HE3 MET A 15 136.500 -6.321 -1.920 1.00 0.43 H new ATOM 243 N GLY A 16 138.392 -10.483 -3.266 1.00 0.37 N ATOM 244 CA GLY A 16 138.886 -10.456 -4.674 1.00 0.40 C ATOM 245 C GLY A 16 138.273 -9.276 -5.433 1.00 0.40 C ATOM 246 O GLY A 16 138.255 -8.159 -4.959 1.00 0.38 O ATOM 0 H GLY A 16 139.121 -10.512 -2.553 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.973 -10.377 -4.683 1.00 0.40 H new ATOM 0 HA3 GLY A 16 138.630 -11.390 -5.174 1.00 0.40 H new ATOM 250 N GLU A 17 137.790 -9.524 -6.626 1.00 0.41 N ATOM 251 CA GLU A 17 137.189 -8.437 -7.464 1.00 0.42 C ATOM 252 C GLU A 17 135.681 -8.649 -7.610 1.00 0.40 C ATOM 253 O GLU A 17 135.109 -8.380 -8.646 1.00 0.40 O ATOM 254 CB GLU A 17 137.842 -8.460 -8.848 1.00 0.47 C ATOM 255 CG GLU A 17 139.294 -7.988 -8.734 1.00 0.52 C ATOM 256 CD GLU A 17 139.955 -8.032 -10.114 1.00 0.57 C ATOM 257 OE1 GLU A 17 139.351 -8.582 -11.021 1.00 0.76 O ATOM 258 OE2 GLU A 17 141.053 -7.514 -10.240 1.00 0.85 O ATOM 0 H GLU A 17 137.786 -10.446 -7.061 1.00 0.41 H new ATOM 0 HA GLU A 17 137.362 -7.475 -6.982 1.00 0.42 H new ATOM 0 HB2 GLU A 17 137.807 -9.468 -9.262 1.00 0.47 H new ATOM 0 HB3 GLU A 17 137.291 -7.815 -9.533 1.00 0.47 H new ATOM 0 HG2 GLU A 17 139.328 -6.974 -8.335 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.840 -8.623 -8.037 1.00 0.52 H new ATOM 265 N LYS A 18 135.030 -9.135 -6.588 1.00 0.38 N ATOM 266 CA LYS A 18 133.564 -9.364 -6.687 1.00 0.36 C ATOM 267 C LYS A 18 132.889 -8.028 -7.034 1.00 0.32 C ATOM 268 O LYS A 18 133.387 -6.977 -6.683 1.00 0.31 O ATOM 269 CB LYS A 18 133.039 -9.867 -5.336 1.00 0.36 C ATOM 270 CG LYS A 18 133.430 -11.345 -5.129 1.00 0.45 C ATOM 271 CD LYS A 18 132.349 -12.274 -5.714 1.00 1.17 C ATOM 272 CE LYS A 18 131.037 -12.161 -4.909 1.00 1.44 C ATOM 273 NZ LYS A 18 130.395 -13.501 -4.825 1.00 2.01 N ATOM 0 H LYS A 18 135.450 -9.382 -5.692 1.00 0.38 H new ATOM 0 HA LYS A 18 133.346 -10.105 -7.456 1.00 0.36 H new ATOM 0 HB2 LYS A 18 133.448 -9.259 -4.529 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.955 -9.761 -5.297 1.00 0.36 H new ATOM 0 HG2 LYS A 18 134.388 -11.545 -5.608 1.00 0.45 H new ATOM 0 HG3 LYS A 18 133.557 -11.549 -4.066 1.00 0.45 H new ATOM 0 HD2 LYS A 18 132.165 -12.014 -6.757 1.00 1.17 H new ATOM 0 HD3 LYS A 18 132.702 -13.305 -5.700 1.00 1.17 H new ATOM 0 HE2 LYS A 18 131.242 -11.780 -3.909 1.00 1.44 H new ATOM 0 HE3 LYS A 18 130.363 -11.451 -5.388 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 129.510 -13.429 -4.283 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 130.187 -13.847 -5.783 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 131.039 -14.165 -4.350 1.00 2.01 H new ATOM 287 N PRO A 19 131.781 -8.055 -7.741 1.00 0.31 N ATOM 288 CA PRO A 19 131.071 -6.806 -8.151 1.00 0.29 C ATOM 289 C PRO A 19 130.585 -5.986 -6.952 1.00 0.25 C ATOM 290 O PRO A 19 130.375 -6.497 -5.870 1.00 0.24 O ATOM 291 CB PRO A 19 129.888 -7.304 -9.006 1.00 0.32 C ATOM 292 CG PRO A 19 129.702 -8.742 -8.626 1.00 0.33 C ATOM 293 CD PRO A 19 131.083 -9.261 -8.218 1.00 0.34 C ATOM 0 HA PRO A 19 131.731 -6.131 -8.696 1.00 0.29 H new ATOM 0 HB2 PRO A 19 128.987 -6.725 -8.806 1.00 0.32 H new ATOM 0 HB3 PRO A 19 130.102 -7.203 -10.070 1.00 0.32 H new ATOM 0 HG2 PRO A 19 128.992 -8.838 -7.804 1.00 0.33 H new ATOM 0 HG3 PRO A 19 129.302 -9.316 -9.462 1.00 0.33 H new ATOM 0 HD2 PRO A 19 131.012 -10.018 -7.437 1.00 0.34 H new ATOM 0 HD3 PRO A 19 131.604 -9.719 -9.059 1.00 0.34 H new ATOM 301 N VAL A 20 130.418 -4.710 -7.151 1.00 0.25 N ATOM 302 CA VAL A 20 129.958 -3.822 -6.053 1.00 0.23 C ATOM 303 C VAL A 20 128.619 -4.315 -5.493 1.00 0.21 C ATOM 304 O VAL A 20 128.424 -4.399 -4.297 1.00 0.23 O ATOM 305 CB VAL A 20 129.819 -2.389 -6.591 1.00 0.27 C ATOM 306 CG1 VAL A 20 128.958 -2.378 -7.861 1.00 0.32 C ATOM 307 CG2 VAL A 20 129.165 -1.500 -5.529 1.00 0.29 C ATOM 0 H VAL A 20 130.583 -4.240 -8.041 1.00 0.25 H new ATOM 0 HA VAL A 20 130.689 -3.836 -5.244 1.00 0.23 H new ATOM 0 HB VAL A 20 130.812 -2.008 -6.830 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.868 -1.357 -8.231 1.00 0.32 H new ATOM 0 HG12 VAL A 20 129.426 -3.000 -8.624 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.967 -2.769 -7.632 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.068 -0.485 -5.914 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.177 -1.891 -5.285 1.00 0.29 H new ATOM 0 HG23 VAL A 20 129.783 -1.490 -4.632 1.00 0.29 H new ATOM 317 N GLY A 21 127.688 -4.621 -6.360 1.00 0.23 N ATOM 318 CA GLY A 21 126.345 -5.087 -5.906 1.00 0.21 C ATOM 319 C GLY A 21 126.463 -6.308 -4.985 1.00 0.20 C ATOM 320 O GLY A 21 125.479 -6.761 -4.433 1.00 0.19 O ATOM 0 H GLY A 21 127.803 -4.567 -7.372 1.00 0.23 H new ATOM 0 HA2 GLY A 21 125.836 -4.279 -5.380 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.733 -5.339 -6.772 1.00 0.21 H new ATOM 324 N SER A 22 127.638 -6.850 -4.795 1.00 0.20 N ATOM 325 CA SER A 22 127.766 -8.036 -3.892 1.00 0.20 C ATOM 326 C SER A 22 127.889 -7.563 -2.442 1.00 0.19 C ATOM 327 O SER A 22 127.644 -8.307 -1.513 1.00 0.20 O ATOM 328 CB SER A 22 129.007 -8.846 -4.267 1.00 0.23 C ATOM 329 OG SER A 22 128.807 -9.444 -5.539 1.00 1.24 O ATOM 0 H SER A 22 128.507 -6.528 -5.221 1.00 0.20 H new ATOM 0 HA SER A 22 126.881 -8.663 -4.000 1.00 0.20 H new ATOM 0 HB2 SER A 22 129.885 -8.200 -4.289 1.00 0.23 H new ATOM 0 HB3 SER A 22 129.195 -9.614 -3.516 1.00 0.23 H new ATOM 0 HG SER A 22 128.399 -10.328 -5.425 1.00 1.24 H new ATOM 335 N LEU A 23 128.262 -6.330 -2.239 1.00 0.17 N ATOM 336 CA LEU A 23 128.399 -5.815 -0.849 1.00 0.18 C ATOM 337 C LEU A 23 127.040 -5.862 -0.158 1.00 0.18 C ATOM 338 O LEU A 23 126.032 -5.468 -0.711 1.00 0.17 O ATOM 339 CB LEU A 23 128.895 -4.369 -0.893 1.00 0.18 C ATOM 340 CG LEU A 23 130.304 -4.322 -1.503 1.00 0.21 C ATOM 341 CD1 LEU A 23 130.697 -2.869 -1.776 1.00 0.23 C ATOM 342 CD2 LEU A 23 131.331 -4.958 -0.542 1.00 0.24 C ATOM 0 H LEU A 23 128.478 -5.658 -2.975 1.00 0.17 H new ATOM 0 HA LEU A 23 129.111 -6.430 -0.298 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.212 -3.758 -1.484 1.00 0.18 H new ATOM 0 HB3 LEU A 23 128.910 -3.949 0.113 1.00 0.18 H new ATOM 0 HG LEU A 23 130.298 -4.885 -2.436 1.00 0.21 H new ATOM 0 HD11 LEU A 23 131.697 -2.838 -2.209 1.00 0.23 H new ATOM 0 HD12 LEU A 23 129.986 -2.425 -2.473 1.00 0.23 H new ATOM 0 HD13 LEU A 23 130.688 -2.308 -0.841 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.324 -4.916 -0.990 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.335 -4.410 0.400 1.00 0.24 H new ATOM 0 HD23 LEU A 23 131.060 -5.997 -0.356 1.00 0.24 H new ATOM 354 N ALA A 24 127.009 -6.346 1.046 1.00 0.18 N ATOM 355 CA ALA A 24 125.715 -6.424 1.775 1.00 0.19 C ATOM 356 C ALA A 24 125.173 -5.012 2.016 1.00 0.20 C ATOM 357 O ALA A 24 125.881 -4.118 2.435 1.00 0.20 O ATOM 358 CB ALA A 24 125.918 -7.127 3.117 1.00 0.21 C ATOM 0 H ALA A 24 127.821 -6.691 1.558 1.00 0.18 H new ATOM 0 HA ALA A 24 125.002 -6.990 1.176 1.00 0.19 H new ATOM 0 HB1 ALA A 24 124.967 -7.181 3.647 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.296 -8.135 2.946 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.636 -6.567 3.716 1.00 0.21 H new ATOM 364 N GLY A 25 123.914 -4.819 1.739 1.00 0.20 N ATOM 365 CA GLY A 25 123.289 -3.475 1.931 1.00 0.21 C ATOM 366 C GLY A 25 123.241 -2.746 0.583 1.00 0.21 C ATOM 367 O GLY A 25 122.455 -1.839 0.387 1.00 0.22 O ATOM 0 H GLY A 25 123.284 -5.539 1.385 1.00 0.20 H new ATOM 0 HA2 GLY A 25 122.283 -3.583 2.336 1.00 0.21 H new ATOM 0 HA3 GLY A 25 123.863 -2.893 2.653 1.00 0.21 H new ATOM 371 N ILE A 26 124.067 -3.143 -0.351 1.00 0.20 N ATOM 372 CA ILE A 26 124.066 -2.482 -1.693 1.00 0.21 C ATOM 373 C ILE A 26 123.253 -3.343 -2.653 1.00 0.23 C ATOM 374 O ILE A 26 123.654 -4.437 -2.999 1.00 0.25 O ATOM 375 CB ILE A 26 125.502 -2.369 -2.215 1.00 0.22 C ATOM 376 CG1 ILE A 26 126.386 -1.655 -1.184 1.00 0.22 C ATOM 377 CG2 ILE A 26 125.510 -1.582 -3.526 1.00 0.25 C ATOM 378 CD1 ILE A 26 125.742 -0.335 -0.744 1.00 0.24 C ATOM 0 H ILE A 26 124.744 -3.898 -0.243 1.00 0.20 H new ATOM 0 HA ILE A 26 123.633 -1.485 -1.615 1.00 0.21 H new ATOM 0 HB ILE A 26 125.895 -3.371 -2.387 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.537 -2.299 -0.318 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.370 -1.461 -1.612 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.532 -1.502 -3.896 1.00 0.25 H new ATOM 0 HG22 ILE A 26 124.896 -2.098 -4.264 1.00 0.25 H new ATOM 0 HG23 ILE A 26 125.108 -0.584 -3.354 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.384 0.157 -0.013 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.615 0.314 -1.610 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.769 -0.536 -0.296 1.00 0.24 H new ATOM 390 N GLY A 27 122.120 -2.872 -3.102 1.00 0.24 N ATOM 391 CA GLY A 27 121.297 -3.676 -4.050 1.00 0.28 C ATOM 392 C GLY A 27 121.604 -3.238 -5.482 1.00 0.28 C ATOM 393 O GLY A 27 122.436 -2.387 -5.718 1.00 0.27 O ATOM 0 H GLY A 27 121.729 -1.964 -2.852 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.513 -4.737 -3.928 1.00 0.28 H new ATOM 0 HA3 GLY A 27 120.237 -3.540 -3.835 1.00 0.28 H new ATOM 397 N GLU A 28 120.948 -3.827 -6.439 1.00 0.30 N ATOM 398 CA GLU A 28 121.212 -3.459 -7.860 1.00 0.32 C ATOM 399 C GLU A 28 120.946 -1.966 -8.090 1.00 0.32 C ATOM 400 O GLU A 28 121.677 -1.307 -8.803 1.00 0.34 O ATOM 401 CB GLU A 28 120.311 -4.292 -8.769 1.00 0.36 C ATOM 402 CG GLU A 28 120.774 -5.749 -8.743 1.00 0.39 C ATOM 403 CD GLU A 28 119.870 -6.593 -9.640 1.00 1.28 C ATOM 404 OE1 GLU A 28 118.851 -6.082 -10.073 1.00 2.01 O ATOM 405 OE2 GLU A 28 120.210 -7.740 -9.874 1.00 1.65 O ATOM 0 H GLU A 28 120.240 -4.548 -6.301 1.00 0.30 H new ATOM 0 HA GLU A 28 122.258 -3.660 -8.091 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.275 -4.222 -8.437 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.346 -3.906 -9.788 1.00 0.36 H new ATOM 0 HG2 GLU A 28 121.807 -5.818 -9.083 1.00 0.39 H new ATOM 0 HG3 GLU A 28 120.748 -6.131 -7.722 1.00 0.39 H new ATOM 412 N VAL A 29 119.909 -1.421 -7.512 1.00 0.31 N ATOM 413 CA VAL A 29 119.632 0.030 -7.731 1.00 0.33 C ATOM 414 C VAL A 29 120.741 0.856 -7.079 1.00 0.33 C ATOM 415 O VAL A 29 121.269 1.779 -7.667 1.00 0.35 O ATOM 416 CB VAL A 29 118.284 0.405 -7.106 1.00 0.34 C ATOM 417 CG1 VAL A 29 118.106 1.928 -7.133 1.00 0.38 C ATOM 418 CG2 VAL A 29 117.149 -0.251 -7.896 1.00 0.35 C ATOM 0 H VAL A 29 119.249 -1.909 -6.906 1.00 0.31 H new ATOM 0 HA VAL A 29 119.598 0.234 -8.801 1.00 0.33 H new ATOM 0 HB VAL A 29 118.260 0.055 -6.074 1.00 0.34 H new ATOM 0 HG11 VAL A 29 117.146 2.190 -6.688 1.00 0.38 H new ATOM 0 HG12 VAL A 29 118.910 2.398 -6.566 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.136 2.280 -8.164 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.192 0.018 -7.449 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.177 0.096 -8.929 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.269 -1.334 -7.873 1.00 0.35 H new ATOM 428 N LEU A 30 121.097 0.533 -5.868 1.00 0.32 N ATOM 429 CA LEU A 30 122.168 1.297 -5.171 1.00 0.32 C ATOM 430 C LEU A 30 123.503 1.053 -5.868 1.00 0.32 C ATOM 431 O LEU A 30 124.313 1.947 -6.021 1.00 0.33 O ATOM 432 CB LEU A 30 122.267 0.828 -3.718 1.00 0.32 C ATOM 433 CG LEU A 30 120.972 1.148 -2.962 1.00 0.35 C ATOM 434 CD1 LEU A 30 121.061 0.552 -1.553 1.00 0.36 C ATOM 435 CD2 LEU A 30 120.767 2.673 -2.868 1.00 0.40 C ATOM 0 H LEU A 30 120.690 -0.231 -5.328 1.00 0.32 H new ATOM 0 HA LEU A 30 121.929 2.360 -5.198 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.457 -0.245 -3.688 1.00 0.32 H new ATOM 0 HB3 LEU A 30 123.111 1.315 -3.229 1.00 0.32 H new ATOM 0 HG LEU A 30 120.126 0.718 -3.498 1.00 0.35 H new ATOM 0 HD11 LEU A 30 120.145 0.774 -1.006 1.00 0.36 H new ATOM 0 HD12 LEU A 30 121.190 -0.528 -1.622 1.00 0.36 H new ATOM 0 HD13 LEU A 30 121.912 0.986 -1.027 1.00 0.36 H new ATOM 0 HD21 LEU A 30 119.843 2.883 -2.329 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.607 3.121 -2.338 1.00 0.40 H new ATOM 0 HD23 LEU A 30 120.705 3.094 -3.871 1.00 0.40 H new ATOM 447 N GLY A 31 123.746 -0.158 -6.276 1.00 0.33 N ATOM 448 CA GLY A 31 125.032 -0.470 -6.953 1.00 0.34 C ATOM 449 C GLY A 31 125.176 0.381 -8.215 1.00 0.35 C ATOM 450 O GLY A 31 126.240 0.877 -8.519 1.00 0.35 O ATOM 0 H GLY A 31 123.108 -0.947 -6.170 1.00 0.33 H new ATOM 0 HA2 GLY A 31 125.865 -0.277 -6.277 1.00 0.34 H new ATOM 0 HA3 GLY A 31 125.070 -1.528 -7.211 1.00 0.34 H new ATOM 454 N LYS A 32 124.117 0.555 -8.957 1.00 0.35 N ATOM 455 CA LYS A 32 124.208 1.372 -10.203 1.00 0.37 C ATOM 456 C LYS A 32 124.618 2.806 -9.869 1.00 0.36 C ATOM 457 O LYS A 32 125.369 3.422 -10.599 1.00 0.38 O ATOM 458 CB LYS A 32 122.851 1.380 -10.915 1.00 0.39 C ATOM 459 CG LYS A 32 122.542 -0.005 -11.509 1.00 1.18 C ATOM 460 CD LYS A 32 123.290 -0.196 -12.840 1.00 1.37 C ATOM 461 CE LYS A 32 122.797 -1.469 -13.529 1.00 2.06 C ATOM 462 NZ LYS A 32 123.298 -2.657 -12.786 1.00 2.74 N ATOM 0 H LYS A 32 123.195 0.169 -8.756 1.00 0.35 H new ATOM 0 HA LYS A 32 124.961 0.932 -10.857 1.00 0.37 H new ATOM 0 HB2 LYS A 32 122.067 1.663 -10.212 1.00 0.39 H new ATOM 0 HB3 LYS A 32 122.854 2.129 -11.707 1.00 0.39 H new ATOM 0 HG2 LYS A 32 122.835 -0.784 -10.805 1.00 1.18 H new ATOM 0 HG3 LYS A 32 121.469 -0.108 -11.669 1.00 1.18 H new ATOM 0 HD2 LYS A 32 123.127 0.666 -13.487 1.00 1.37 H new ATOM 0 HD3 LYS A 32 124.363 -0.261 -12.659 1.00 1.37 H new ATOM 0 HE2 LYS A 32 121.708 -1.480 -13.562 1.00 2.06 H new ATOM 0 HE3 LYS A 32 123.148 -1.497 -14.561 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 123.051 -3.522 -13.307 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 124.332 -2.595 -12.688 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 122.862 -2.685 -11.842 1.00 2.74 H new ATOM 476 N LYS A 33 124.134 3.356 -8.791 1.00 0.35 N ATOM 477 CA LYS A 33 124.513 4.760 -8.462 1.00 0.36 C ATOM 478 C LYS A 33 126.017 4.836 -8.170 1.00 0.34 C ATOM 479 O LYS A 33 126.704 5.715 -8.651 1.00 0.36 O ATOM 480 CB LYS A 33 123.742 5.218 -7.219 1.00 0.36 C ATOM 481 CG LYS A 33 122.235 5.290 -7.511 1.00 0.39 C ATOM 482 CD LYS A 33 121.898 6.558 -8.308 1.00 0.64 C ATOM 483 CE LYS A 33 120.380 6.740 -8.351 1.00 0.65 C ATOM 484 NZ LYS A 33 119.881 7.061 -6.983 1.00 1.54 N ATOM 0 H LYS A 33 123.501 2.903 -8.131 1.00 0.35 H new ATOM 0 HA LYS A 33 124.271 5.403 -9.308 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.925 4.527 -6.396 1.00 0.36 H new ATOM 0 HB3 LYS A 33 124.103 6.196 -6.901 1.00 0.36 H new ATOM 0 HG2 LYS A 33 121.926 4.408 -8.072 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.677 5.284 -6.575 1.00 0.39 H new ATOM 0 HD2 LYS A 33 122.367 7.427 -7.846 1.00 0.64 H new ATOM 0 HD3 LYS A 33 122.295 6.482 -9.320 1.00 0.64 H new ATOM 0 HE2 LYS A 33 120.118 7.541 -9.043 1.00 0.65 H new ATOM 0 HE3 LYS A 33 119.904 5.831 -8.720 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 119.003 7.614 -7.055 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 119.693 6.178 -6.466 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 120.598 7.615 -6.473 1.00 1.54 H new ATOM 498 N LEU A 34 126.538 3.922 -7.398 1.00 0.32 N ATOM 499 CA LEU A 34 127.998 3.948 -7.090 1.00 0.31 C ATOM 500 C LEU A 34 128.806 3.777 -8.385 1.00 0.31 C ATOM 501 O LEU A 34 129.827 4.404 -8.588 1.00 0.33 O ATOM 502 CB LEU A 34 128.333 2.816 -6.118 1.00 0.29 C ATOM 503 CG LEU A 34 127.580 3.029 -4.801 1.00 0.30 C ATOM 504 CD1 LEU A 34 127.701 1.766 -3.944 1.00 0.30 C ATOM 505 CD2 LEU A 34 128.161 4.238 -4.037 1.00 0.34 C ATOM 0 H LEU A 34 126.017 3.158 -6.967 1.00 0.32 H new ATOM 0 HA LEU A 34 128.255 4.904 -6.634 1.00 0.31 H new ATOM 0 HB2 LEU A 34 128.058 1.856 -6.554 1.00 0.29 H new ATOM 0 HB3 LEU A 34 129.407 2.787 -5.934 1.00 0.29 H new ATOM 0 HG LEU A 34 126.531 3.229 -5.017 1.00 0.30 H new ATOM 0 HD11 LEU A 34 127.167 1.911 -3.005 1.00 0.30 H new ATOM 0 HD12 LEU A 34 127.270 0.920 -4.480 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.752 1.566 -3.737 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.615 4.375 -3.104 1.00 0.34 H new ATOM 0 HD22 LEU A 34 129.214 4.058 -3.818 1.00 0.34 H new ATOM 0 HD23 LEU A 34 128.065 5.135 -4.649 1.00 0.34 H new ATOM 517 N GLU A 35 128.352 2.917 -9.251 1.00 0.32 N ATOM 518 CA GLU A 35 129.097 2.695 -10.526 1.00 0.34 C ATOM 519 C GLU A 35 129.170 4.014 -11.298 1.00 0.37 C ATOM 520 O GLU A 35 130.187 4.361 -11.865 1.00 0.39 O ATOM 521 CB GLU A 35 128.378 1.633 -11.365 1.00 0.35 C ATOM 522 CG GLU A 35 128.507 0.270 -10.679 1.00 0.93 C ATOM 523 CD GLU A 35 127.658 -0.768 -11.417 1.00 1.02 C ATOM 524 OE1 GLU A 35 127.021 -0.401 -12.389 1.00 1.67 O ATOM 525 OE2 GLU A 35 127.665 -1.915 -10.999 1.00 1.36 O ATOM 0 H GLU A 35 127.505 2.361 -9.136 1.00 0.32 H new ATOM 0 HA GLU A 35 130.107 2.346 -10.309 1.00 0.34 H new ATOM 0 HB2 GLU A 35 127.327 1.896 -11.481 1.00 0.35 H new ATOM 0 HB3 GLU A 35 128.809 1.591 -12.365 1.00 0.35 H new ATOM 0 HG2 GLU A 35 129.551 -0.043 -10.667 1.00 0.93 H new ATOM 0 HG3 GLU A 35 128.185 0.344 -9.640 1.00 0.93 H new ATOM 532 N GLU A 36 128.102 4.765 -11.297 1.00 0.39 N ATOM 533 CA GLU A 36 128.103 6.076 -12.003 1.00 0.43 C ATOM 534 C GLU A 36 129.052 7.018 -11.257 1.00 0.45 C ATOM 535 O GLU A 36 129.508 8.015 -11.783 1.00 0.49 O ATOM 536 CB GLU A 36 126.679 6.653 -12.014 1.00 0.45 C ATOM 537 CG GLU A 36 126.648 7.972 -12.795 1.00 1.12 C ATOM 538 CD GLU A 36 127.020 7.716 -14.258 1.00 1.39 C ATOM 539 OE1 GLU A 36 126.667 6.661 -14.763 1.00 1.86 O ATOM 540 OE2 GLU A 36 127.659 8.574 -14.846 1.00 2.00 O ATOM 0 H GLU A 36 127.225 4.525 -10.835 1.00 0.39 H new ATOM 0 HA GLU A 36 128.435 5.957 -13.034 1.00 0.43 H new ATOM 0 HB2 GLU A 36 125.992 5.938 -12.467 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.338 6.819 -10.992 1.00 0.45 H new ATOM 0 HG2 GLU A 36 125.655 8.418 -12.735 1.00 1.12 H new ATOM 0 HG3 GLU A 36 127.344 8.684 -12.352 1.00 1.12 H new ATOM 547 N ARG A 37 129.349 6.700 -10.026 1.00 0.42 N ATOM 548 CA ARG A 37 130.265 7.569 -9.227 1.00 0.45 C ATOM 549 C ARG A 37 131.714 7.109 -9.426 1.00 0.42 C ATOM 550 O ARG A 37 132.625 7.623 -8.808 1.00 0.43 O ATOM 551 CB ARG A 37 129.894 7.487 -7.736 1.00 0.45 C ATOM 552 CG ARG A 37 128.571 8.223 -7.460 1.00 0.53 C ATOM 553 CD ARG A 37 128.814 9.730 -7.287 1.00 0.86 C ATOM 554 NE ARG A 37 129.789 9.962 -6.180 1.00 1.42 N ATOM 555 CZ ARG A 37 130.352 11.132 -6.044 1.00 1.88 C ATOM 556 NH1 ARG A 37 130.081 12.087 -6.889 1.00 2.15 N ATOM 557 NH2 ARG A 37 131.187 11.348 -5.063 1.00 2.69 N ATOM 0 H ARG A 37 128.998 5.876 -9.538 1.00 0.42 H new ATOM 0 HA ARG A 37 130.165 8.601 -9.563 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.804 6.443 -7.436 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.691 7.924 -7.134 1.00 0.45 H new ATOM 0 HG2 ARG A 37 127.876 8.054 -8.283 1.00 0.53 H new ATOM 0 HG3 ARG A 37 128.105 7.819 -6.561 1.00 0.53 H new ATOM 0 HD2 ARG A 37 129.196 10.155 -8.215 1.00 0.86 H new ATOM 0 HD3 ARG A 37 127.874 10.236 -7.068 1.00 0.86 H new ATOM 0 HE ARG A 37 130.015 9.208 -5.531 1.00 1.42 H new ATOM 0 HH11 ARG A 37 129.429 11.920 -7.656 1.00 2.15 H new ATOM 0 HH12 ARG A 37 130.520 13.001 -6.783 1.00 2.15 H new ATOM 0 HH21 ARG A 37 131.400 10.602 -4.401 1.00 2.69 H new ATOM 0 HH22 ARG A 37 131.626 12.263 -4.959 1.00 2.69 H new ATOM 571 N GLY A 38 131.945 6.172 -10.318 1.00 0.40 N ATOM 572 CA GLY A 38 133.349 5.719 -10.591 1.00 0.39 C ATOM 573 C GLY A 38 133.697 4.459 -9.797 1.00 0.37 C ATOM 574 O GLY A 38 134.838 4.038 -9.770 1.00 0.48 O ATOM 0 H GLY A 38 131.225 5.703 -10.867 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.468 5.523 -11.657 1.00 0.39 H new ATOM 0 HA3 GLY A 38 134.046 6.516 -10.334 1.00 0.39 H new ATOM 578 N PHE A 39 132.739 3.842 -9.155 1.00 0.31 N ATOM 579 CA PHE A 39 133.028 2.598 -8.373 1.00 0.28 C ATOM 580 C PHE A 39 132.529 1.387 -9.167 1.00 0.28 C ATOM 581 O PHE A 39 131.488 0.832 -8.880 1.00 0.28 O ATOM 582 CB PHE A 39 132.272 2.664 -7.050 1.00 0.27 C ATOM 583 CG PHE A 39 132.850 3.752 -6.176 1.00 0.28 C ATOM 584 CD1 PHE A 39 132.437 5.073 -6.354 1.00 0.31 C ATOM 585 CD2 PHE A 39 133.784 3.441 -5.182 1.00 0.28 C ATOM 586 CE1 PHE A 39 132.952 6.089 -5.545 1.00 0.33 C ATOM 587 CE2 PHE A 39 134.305 4.457 -4.369 1.00 0.30 C ATOM 588 CZ PHE A 39 133.888 5.781 -4.552 1.00 0.32 C ATOM 0 H PHE A 39 131.765 4.145 -9.137 1.00 0.31 H new ATOM 0 HA PHE A 39 134.099 2.510 -8.190 1.00 0.28 H new ATOM 0 HB2 PHE A 39 131.216 2.858 -7.235 1.00 0.27 H new ATOM 0 HB3 PHE A 39 132.335 1.704 -6.538 1.00 0.27 H new ATOM 0 HD1 PHE A 39 131.715 5.311 -7.121 1.00 0.31 H new ATOM 0 HD2 PHE A 39 134.103 2.419 -5.041 1.00 0.28 H new ATOM 0 HE1 PHE A 39 132.628 7.110 -5.686 1.00 0.33 H new ATOM 0 HE2 PHE A 39 135.027 4.219 -3.602 1.00 0.30 H new ATOM 0 HZ PHE A 39 134.289 6.565 -3.926 1.00 0.32 H new ATOM 598 N ASP A 40 133.240 1.003 -10.197 1.00 0.30 N ATOM 599 CA ASP A 40 132.777 -0.137 -11.042 1.00 0.31 C ATOM 600 C ASP A 40 132.981 -1.477 -10.327 1.00 0.29 C ATOM 601 O ASP A 40 132.494 -2.495 -10.777 1.00 0.30 O ATOM 602 CB ASP A 40 133.573 -0.141 -12.349 1.00 0.35 C ATOM 603 CG ASP A 40 135.052 -0.386 -12.045 1.00 0.37 C ATOM 604 OD1 ASP A 40 135.422 -0.288 -10.887 1.00 0.37 O ATOM 605 OD2 ASP A 40 135.791 -0.663 -12.976 1.00 0.41 O ATOM 0 H ASP A 40 134.120 1.430 -10.488 1.00 0.30 H new ATOM 0 HA ASP A 40 131.712 -0.012 -11.239 1.00 0.31 H new ATOM 0 HB2 ASP A 40 133.195 -0.916 -13.015 1.00 0.35 H new ATOM 0 HB3 ASP A 40 133.450 0.811 -12.865 1.00 0.35 H new ATOM 610 N LYS A 41 133.684 -1.499 -9.221 1.00 0.28 N ATOM 611 CA LYS A 41 133.899 -2.795 -8.490 1.00 0.28 C ATOM 612 C LYS A 41 133.817 -2.582 -6.975 1.00 0.23 C ATOM 613 O LYS A 41 133.899 -1.475 -6.479 1.00 0.23 O ATOM 614 CB LYS A 41 135.248 -3.402 -8.883 1.00 0.34 C ATOM 615 CG LYS A 41 135.154 -3.914 -10.327 1.00 0.48 C ATOM 616 CD LYS A 41 136.485 -4.530 -10.756 1.00 0.74 C ATOM 617 CE LYS A 41 136.314 -5.212 -12.115 1.00 0.71 C ATOM 618 NZ LYS A 41 137.544 -5.988 -12.438 1.00 1.56 N ATOM 0 H LYS A 41 134.118 -0.682 -8.791 1.00 0.28 H new ATOM 0 HA LYS A 41 133.110 -3.492 -8.773 1.00 0.28 H new ATOM 0 HB2 LYS A 41 136.038 -2.656 -8.797 1.00 0.34 H new ATOM 0 HB3 LYS A 41 135.506 -4.218 -8.208 1.00 0.34 H new ATOM 0 HG2 LYS A 41 134.359 -4.656 -10.407 1.00 0.48 H new ATOM 0 HG3 LYS A 41 134.892 -3.094 -10.995 1.00 0.48 H new ATOM 0 HD2 LYS A 41 137.252 -3.758 -10.818 1.00 0.74 H new ATOM 0 HD3 LYS A 41 136.820 -5.254 -10.013 1.00 0.74 H new ATOM 0 HE2 LYS A 41 135.448 -5.874 -12.096 1.00 0.71 H new ATOM 0 HE3 LYS A 41 136.128 -4.466 -12.888 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 137.429 -6.452 -13.362 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 138.361 -5.345 -12.473 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 137.702 -6.709 -11.705 1.00 1.56 H new ATOM 632 N ALA A 42 133.614 -3.650 -6.249 1.00 0.21 N ATOM 633 CA ALA A 42 133.473 -3.568 -4.763 1.00 0.20 C ATOM 634 C ALA A 42 134.759 -3.088 -4.081 1.00 0.18 C ATOM 635 O ALA A 42 134.714 -2.300 -3.156 1.00 0.18 O ATOM 636 CB ALA A 42 133.123 -4.958 -4.230 1.00 0.21 C ATOM 0 H ALA A 42 133.538 -4.593 -6.630 1.00 0.21 H new ATOM 0 HA ALA A 42 132.689 -2.844 -4.540 1.00 0.20 H new ATOM 0 HB1 ALA A 42 133.016 -4.916 -3.146 1.00 0.21 H new ATOM 0 HB2 ALA A 42 132.185 -5.292 -4.674 1.00 0.21 H new ATOM 0 HB3 ALA A 42 133.917 -5.658 -4.490 1.00 0.21 H new ATOM 642 N TYR A 43 135.894 -3.584 -4.479 1.00 0.19 N ATOM 643 CA TYR A 43 137.154 -3.182 -3.791 1.00 0.18 C ATOM 644 C TYR A 43 137.347 -1.659 -3.859 1.00 0.17 C ATOM 645 O TYR A 43 138.081 -1.090 -3.076 1.00 0.17 O ATOM 646 CB TYR A 43 138.356 -3.917 -4.402 1.00 0.20 C ATOM 647 CG TYR A 43 138.827 -3.242 -5.664 1.00 0.21 C ATOM 648 CD1 TYR A 43 139.674 -2.135 -5.571 1.00 0.21 C ATOM 649 CD2 TYR A 43 138.446 -3.728 -6.918 1.00 0.24 C ATOM 650 CE1 TYR A 43 140.141 -1.513 -6.727 1.00 0.25 C ATOM 651 CE2 TYR A 43 138.912 -3.102 -8.079 1.00 0.28 C ATOM 652 CZ TYR A 43 139.761 -1.995 -7.986 1.00 0.28 C ATOM 653 OH TYR A 43 140.224 -1.384 -9.134 1.00 0.32 O ATOM 0 H TYR A 43 136.007 -4.247 -5.246 1.00 0.19 H new ATOM 0 HA TYR A 43 137.081 -3.464 -2.741 1.00 0.18 H new ATOM 0 HB2 TYR A 43 139.171 -3.950 -3.679 1.00 0.20 H new ATOM 0 HB3 TYR A 43 138.081 -4.949 -4.620 1.00 0.20 H new ATOM 0 HD1 TYR A 43 139.967 -1.761 -4.601 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.793 -4.585 -6.990 1.00 0.24 H new ATOM 0 HE1 TYR A 43 140.797 -0.658 -6.652 1.00 0.25 H new ATOM 0 HE2 TYR A 43 138.616 -3.474 -9.048 1.00 0.28 H new ATOM 0 HH TYR A 43 139.864 -1.847 -9.919 1.00 0.32 H new ATOM 663 N VAL A 44 136.674 -0.990 -4.754 1.00 0.18 N ATOM 664 CA VAL A 44 136.814 0.496 -4.816 1.00 0.18 C ATOM 665 C VAL A 44 135.931 1.095 -3.719 1.00 0.17 C ATOM 666 O VAL A 44 136.218 2.130 -3.146 1.00 0.18 O ATOM 667 CB VAL A 44 136.367 1.011 -6.186 1.00 0.20 C ATOM 668 CG1 VAL A 44 136.676 2.508 -6.299 1.00 0.22 C ATOM 669 CG2 VAL A 44 137.120 0.256 -7.284 1.00 0.24 C ATOM 0 H VAL A 44 136.039 -1.400 -5.439 1.00 0.18 H new ATOM 0 HA VAL A 44 137.855 0.784 -4.668 1.00 0.18 H new ATOM 0 HB VAL A 44 135.295 0.851 -6.299 1.00 0.20 H new ATOM 0 HG11 VAL A 44 136.357 2.873 -7.275 1.00 0.22 H new ATOM 0 HG12 VAL A 44 136.143 3.050 -5.517 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.748 2.668 -6.185 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.803 0.622 -8.260 1.00 0.24 H new ATOM 0 HG22 VAL A 44 138.192 0.417 -7.167 1.00 0.24 H new ATOM 0 HG23 VAL A 44 136.903 -0.809 -7.208 1.00 0.24 H new ATOM 679 N VAL A 45 134.850 0.421 -3.431 1.00 0.17 N ATOM 680 CA VAL A 45 133.912 0.899 -2.378 1.00 0.17 C ATOM 681 C VAL A 45 134.536 0.607 -1.016 1.00 0.16 C ATOM 682 O VAL A 45 134.479 1.414 -0.111 1.00 0.16 O ATOM 683 CB VAL A 45 132.574 0.169 -2.504 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.694 0.478 -1.281 1.00 0.22 C ATOM 685 CG2 VAL A 45 131.867 0.629 -3.781 1.00 0.20 C ATOM 0 H VAL A 45 134.575 -0.450 -3.886 1.00 0.17 H new ATOM 0 HA VAL A 45 133.735 1.969 -2.489 1.00 0.17 H new ATOM 0 HB VAL A 45 132.749 -0.906 -2.551 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.742 -0.045 -1.376 1.00 0.22 H new ATOM 0 HG12 VAL A 45 132.201 0.146 -0.375 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.514 1.552 -1.224 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.912 0.111 -3.875 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.693 1.704 -3.734 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.491 0.400 -4.645 1.00 0.20 H new ATOM 695 N LEU A 46 135.157 -0.528 -0.871 1.00 0.17 N ATOM 696 CA LEU A 46 135.809 -0.840 0.426 1.00 0.18 C ATOM 697 C LEU A 46 136.837 0.257 0.680 1.00 0.17 C ATOM 698 O LEU A 46 137.068 0.668 1.800 1.00 0.18 O ATOM 699 CB LEU A 46 136.487 -2.217 0.347 1.00 0.22 C ATOM 700 CG LEU A 46 137.355 -2.467 1.588 1.00 0.25 C ATOM 701 CD1 LEU A 46 136.499 -2.387 2.859 1.00 0.40 C ATOM 702 CD2 LEU A 46 137.982 -3.862 1.489 1.00 0.35 C ATOM 0 H LEU A 46 135.241 -1.248 -1.589 1.00 0.17 H new ATOM 0 HA LEU A 46 135.084 -0.876 1.239 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.730 -2.996 0.264 1.00 0.22 H new ATOM 0 HB3 LEU A 46 137.103 -2.274 -0.551 1.00 0.22 H new ATOM 0 HG LEU A 46 138.135 -1.708 1.637 1.00 0.25 H new ATOM 0 HD11 LEU A 46 137.126 -2.566 3.732 1.00 0.40 H new ATOM 0 HD12 LEU A 46 136.049 -1.397 2.933 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.713 -3.141 2.816 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.600 -4.046 2.368 1.00 0.35 H new ATOM 0 HD22 LEU A 46 137.193 -4.613 1.436 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.599 -3.921 0.592 1.00 0.35 H new ATOM 714 N GLY A 47 137.447 0.740 -0.369 1.00 0.17 N ATOM 715 CA GLY A 47 138.455 1.819 -0.224 1.00 0.18 C ATOM 716 C GLY A 47 137.804 3.046 0.410 1.00 0.18 C ATOM 717 O GLY A 47 138.381 3.695 1.257 1.00 0.18 O ATOM 0 H GLY A 47 137.286 0.428 -1.327 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.285 1.475 0.394 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.869 2.077 -1.199 1.00 0.18 H new ATOM 721 N GLN A 48 136.602 3.369 0.017 1.00 0.17 N ATOM 722 CA GLN A 48 135.928 4.559 0.608 1.00 0.18 C ATOM 723 C GLN A 48 135.794 4.356 2.120 1.00 0.17 C ATOM 724 O GLN A 48 136.035 5.257 2.898 1.00 0.18 O ATOM 725 CB GLN A 48 134.538 4.720 -0.018 1.00 0.19 C ATOM 726 CG GLN A 48 133.922 6.057 0.412 1.00 0.22 C ATOM 727 CD GLN A 48 134.517 7.196 -0.423 1.00 0.28 C ATOM 728 OE1 GLN A 48 134.025 8.307 -0.390 1.00 0.98 O ATOM 729 NE2 GLN A 48 135.557 6.967 -1.177 1.00 1.09 N ATOM 0 H GLN A 48 136.060 2.863 -0.684 1.00 0.17 H new ATOM 0 HA GLN A 48 136.516 5.455 0.410 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.612 4.677 -1.105 1.00 0.19 H new ATOM 0 HB3 GLN A 48 133.893 3.897 0.291 1.00 0.19 H new ATOM 0 HG2 GLN A 48 132.840 6.027 0.284 1.00 0.22 H new ATOM 0 HG3 GLN A 48 134.113 6.232 1.471 1.00 0.22 H new ATOM 0 HE21 GLN A 48 135.971 6.035 -1.206 1.00 1.09 H new ATOM 0 HE22 GLN A 48 135.956 7.720 -1.738 1.00 1.09 H new ATOM 738 N PHE A 49 135.439 3.175 2.543 1.00 0.17 N ATOM 739 CA PHE A 49 135.319 2.908 4.005 1.00 0.17 C ATOM 740 C PHE A 49 136.678 3.148 4.660 1.00 0.18 C ATOM 741 O PHE A 49 136.777 3.719 5.729 1.00 0.19 O ATOM 742 CB PHE A 49 134.888 1.451 4.206 1.00 0.17 C ATOM 743 CG PHE A 49 134.770 1.127 5.677 1.00 0.19 C ATOM 744 CD1 PHE A 49 133.568 1.362 6.355 1.00 0.23 C ATOM 745 CD2 PHE A 49 135.857 0.564 6.356 1.00 0.28 C ATOM 746 CE1 PHE A 49 133.455 1.034 7.711 1.00 0.26 C ATOM 747 CE2 PHE A 49 135.745 0.241 7.712 1.00 0.31 C ATOM 748 CZ PHE A 49 134.543 0.475 8.390 1.00 0.26 C ATOM 0 H PHE A 49 135.226 2.381 1.939 1.00 0.17 H new ATOM 0 HA PHE A 49 134.579 3.568 4.457 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.932 1.278 3.713 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.613 0.784 3.739 1.00 0.17 H new ATOM 0 HD1 PHE A 49 132.729 1.796 5.832 1.00 0.23 H new ATOM 0 HD2 PHE A 49 136.783 0.379 5.832 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.527 1.213 8.234 1.00 0.26 H new ATOM 0 HE2 PHE A 49 136.586 -0.189 8.236 1.00 0.31 H new ATOM 0 HZ PHE A 49 134.456 0.224 9.437 1.00 0.26 H new ATOM 758 N LEU A 50 137.720 2.716 4.023 1.00 0.19 N ATOM 759 CA LEU A 50 139.073 2.922 4.605 1.00 0.21 C ATOM 760 C LEU A 50 139.423 4.413 4.534 1.00 0.21 C ATOM 761 O LEU A 50 140.008 4.966 5.443 1.00 0.23 O ATOM 762 CB LEU A 50 140.096 2.088 3.817 1.00 0.23 C ATOM 763 CG LEU A 50 139.806 0.585 3.990 1.00 0.23 C ATOM 764 CD1 LEU A 50 140.499 -0.209 2.870 1.00 0.28 C ATOM 765 CD2 LEU A 50 140.342 0.090 5.339 1.00 0.28 C ATOM 0 H LEU A 50 137.698 2.230 3.127 1.00 0.19 H new ATOM 0 HA LEU A 50 139.091 2.602 5.647 1.00 0.21 H new ATOM 0 HB2 LEU A 50 140.056 2.354 2.761 1.00 0.23 H new ATOM 0 HB3 LEU A 50 141.104 2.313 4.165 1.00 0.23 H new ATOM 0 HG LEU A 50 138.727 0.436 3.947 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.292 -1.272 2.996 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.122 0.122 1.902 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.575 -0.041 2.917 1.00 0.28 H new ATOM 0 HD21 LEU A 50 140.130 -0.974 5.447 1.00 0.28 H new ATOM 0 HD22 LEU A 50 141.419 0.251 5.384 1.00 0.28 H new ATOM 0 HD23 LEU A 50 139.859 0.640 6.146 1.00 0.28 H new ATOM 777 N VAL A 51 139.082 5.063 3.454 1.00 0.21 N ATOM 778 CA VAL A 51 139.410 6.516 3.309 1.00 0.23 C ATOM 779 C VAL A 51 138.576 7.362 4.289 1.00 0.23 C ATOM 780 O VAL A 51 138.961 8.455 4.653 1.00 0.24 O ATOM 781 CB VAL A 51 139.139 6.956 1.860 1.00 0.25 C ATOM 782 CG1 VAL A 51 139.204 8.483 1.749 1.00 0.28 C ATOM 783 CG2 VAL A 51 140.194 6.345 0.929 1.00 0.27 C ATOM 0 H VAL A 51 138.589 4.651 2.662 1.00 0.21 H new ATOM 0 HA VAL A 51 140.463 6.668 3.544 1.00 0.23 H new ATOM 0 HB VAL A 51 138.145 6.614 1.572 1.00 0.25 H new ATOM 0 HG11 VAL A 51 139.011 8.781 0.719 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.454 8.928 2.403 1.00 0.28 H new ATOM 0 HG13 VAL A 51 140.194 8.828 2.047 1.00 0.28 H new ATOM 0 HG21 VAL A 51 139.999 6.658 -0.097 1.00 0.27 H new ATOM 0 HG22 VAL A 51 141.185 6.684 1.230 1.00 0.27 H new ATOM 0 HG23 VAL A 51 140.148 5.258 0.991 1.00 0.27 H new ATOM 793 N LEU A 52 137.432 6.879 4.703 1.00 0.22 N ATOM 794 CA LEU A 52 136.577 7.681 5.644 1.00 0.23 C ATOM 795 C LEU A 52 136.894 7.318 7.098 1.00 0.23 C ATOM 796 O LEU A 52 136.151 7.647 8.003 1.00 0.24 O ATOM 797 CB LEU A 52 135.094 7.428 5.351 1.00 0.24 C ATOM 798 CG LEU A 52 134.707 8.041 3.990 1.00 0.25 C ATOM 799 CD1 LEU A 52 133.249 7.692 3.681 1.00 0.31 C ATOM 800 CD2 LEU A 52 134.869 9.576 4.022 1.00 0.27 C ATOM 0 H LEU A 52 137.051 5.971 4.435 1.00 0.22 H new ATOM 0 HA LEU A 52 136.794 8.739 5.495 1.00 0.23 H new ATOM 0 HB2 LEU A 52 134.895 6.356 5.345 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.481 7.862 6.141 1.00 0.24 H new ATOM 0 HG LEU A 52 135.363 7.636 3.219 1.00 0.25 H new ATOM 0 HD11 LEU A 52 132.968 8.122 2.720 1.00 0.31 H new ATOM 0 HD12 LEU A 52 133.135 6.609 3.641 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.605 8.096 4.462 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.591 9.991 3.053 1.00 0.27 H new ATOM 0 HD22 LEU A 52 134.223 9.994 4.794 1.00 0.27 H new ATOM 0 HD23 LEU A 52 135.907 9.828 4.241 1.00 0.27 H new ATOM 812 N LYS A 53 137.991 6.661 7.335 1.00 0.22 N ATOM 813 CA LYS A 53 138.357 6.300 8.734 1.00 0.23 C ATOM 814 C LYS A 53 137.196 5.577 9.424 1.00 0.24 C ATOM 815 O LYS A 53 136.916 5.809 10.584 1.00 0.30 O ATOM 816 CB LYS A 53 138.694 7.568 9.525 1.00 0.29 C ATOM 817 CG LYS A 53 139.871 8.286 8.866 1.00 0.38 C ATOM 818 CD LYS A 53 140.200 9.550 9.660 1.00 0.49 C ATOM 819 CE LYS A 53 141.341 10.305 8.974 1.00 0.90 C ATOM 820 NZ LYS A 53 142.572 9.468 8.986 1.00 1.70 N ATOM 0 H LYS A 53 138.653 6.357 6.621 1.00 0.22 H new ATOM 0 HA LYS A 53 139.223 5.639 8.703 1.00 0.23 H new ATOM 0 HB2 LYS A 53 137.827 8.227 9.561 1.00 0.29 H new ATOM 0 HB3 LYS A 53 138.942 7.311 10.555 1.00 0.29 H new ATOM 0 HG2 LYS A 53 140.740 7.628 8.831 1.00 0.38 H new ATOM 0 HG3 LYS A 53 139.624 8.544 7.836 1.00 0.38 H new ATOM 0 HD2 LYS A 53 139.319 10.188 9.730 1.00 0.49 H new ATOM 0 HD3 LYS A 53 140.485 9.288 10.679 1.00 0.49 H new ATOM 0 HE2 LYS A 53 141.064 10.548 7.948 1.00 0.90 H new ATOM 0 HE3 LYS A 53 141.526 11.249 9.487 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 143.317 9.938 8.432 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 142.897 9.342 9.966 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 142.364 8.539 8.568 1.00 1.70 H new ATOM 834 N LYS A 54 136.514 4.702 8.727 1.00 0.22 N ATOM 835 CA LYS A 54 135.364 3.945 9.312 1.00 0.25 C ATOM 836 C LYS A 54 134.497 4.829 10.207 1.00 0.27 C ATOM 837 O LYS A 54 133.724 4.330 11.001 1.00 0.33 O ATOM 838 CB LYS A 54 135.874 2.743 10.127 1.00 0.35 C ATOM 839 CG LYS A 54 136.752 3.200 11.302 1.00 0.67 C ATOM 840 CD LYS A 54 137.038 2.002 12.208 1.00 0.83 C ATOM 841 CE LYS A 54 137.792 2.466 13.457 1.00 1.41 C ATOM 842 NZ LYS A 54 137.720 1.402 14.499 1.00 2.24 N ATOM 0 H LYS A 54 136.712 4.476 7.752 1.00 0.22 H new ATOM 0 HA LYS A 54 134.752 3.596 8.480 1.00 0.25 H new ATOM 0 HB2 LYS A 54 135.027 2.170 10.504 1.00 0.35 H new ATOM 0 HB3 LYS A 54 136.446 2.078 9.480 1.00 0.35 H new ATOM 0 HG2 LYS A 54 137.686 3.623 10.931 1.00 0.67 H new ATOM 0 HG3 LYS A 54 136.248 3.985 11.865 1.00 0.67 H new ATOM 0 HD2 LYS A 54 136.104 1.519 12.494 1.00 0.83 H new ATOM 0 HD3 LYS A 54 137.628 1.260 11.670 1.00 0.83 H new ATOM 0 HE2 LYS A 54 138.832 2.679 13.210 1.00 1.41 H new ATOM 0 HE3 LYS A 54 137.358 3.392 13.835 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 138.231 1.714 15.349 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 136.725 1.220 14.741 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 138.153 0.530 14.135 1.00 2.24 H new ATOM 856 N ASP A 55 134.564 6.119 10.080 1.00 0.29 N ATOM 857 CA ASP A 55 133.672 6.955 10.930 1.00 0.39 C ATOM 858 C ASP A 55 132.233 6.679 10.464 1.00 0.37 C ATOM 859 O ASP A 55 131.892 6.889 9.317 1.00 0.37 O ATOM 860 CB ASP A 55 134.035 8.430 10.764 1.00 0.46 C ATOM 861 CG ASP A 55 133.102 9.294 11.613 1.00 1.18 C ATOM 862 OD1 ASP A 55 131.926 8.974 11.684 1.00 1.80 O ATOM 863 OD2 ASP A 55 133.580 10.266 12.175 1.00 1.55 O ATOM 0 H ASP A 55 135.180 6.624 9.443 1.00 0.29 H new ATOM 0 HA ASP A 55 133.779 6.714 11.988 1.00 0.39 H new ATOM 0 HB2 ASP A 55 135.070 8.595 11.063 1.00 0.46 H new ATOM 0 HB3 ASP A 55 133.957 8.717 9.715 1.00 0.46 H new ATOM 868 N GLU A 56 131.410 6.145 11.330 1.00 0.38 N ATOM 869 CA GLU A 56 130.015 5.773 10.933 1.00 0.37 C ATOM 870 C GLU A 56 129.168 6.971 10.478 1.00 0.38 C ATOM 871 O GLU A 56 128.405 6.864 9.541 1.00 0.37 O ATOM 872 CB GLU A 56 129.318 5.101 12.120 1.00 0.39 C ATOM 873 CG GLU A 56 127.950 4.563 11.679 1.00 0.41 C ATOM 874 CD GLU A 56 127.255 3.889 12.864 1.00 0.62 C ATOM 875 OE1 GLU A 56 127.899 3.715 13.885 1.00 0.87 O ATOM 876 OE2 GLU A 56 126.088 3.557 12.728 1.00 0.85 O ATOM 0 H GLU A 56 131.645 5.949 12.303 1.00 0.38 H new ATOM 0 HA GLU A 56 130.101 5.098 10.081 1.00 0.37 H new ATOM 0 HB2 GLU A 56 129.934 4.287 12.502 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.194 5.816 12.933 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.334 5.377 11.299 1.00 0.41 H new ATOM 0 HG3 GLU A 56 128.074 3.850 10.864 1.00 0.41 H new ATOM 883 N ASP A 57 129.269 8.100 11.121 1.00 0.40 N ATOM 884 CA ASP A 57 128.425 9.252 10.687 1.00 0.41 C ATOM 885 C ASP A 57 128.911 9.774 9.339 1.00 0.40 C ATOM 886 O ASP A 57 128.124 10.103 8.475 1.00 0.40 O ATOM 887 CB ASP A 57 128.509 10.376 11.725 1.00 0.45 C ATOM 888 CG ASP A 57 127.779 9.952 13.002 1.00 0.47 C ATOM 889 OD1 ASP A 57 126.963 9.048 12.924 1.00 0.64 O ATOM 890 OD2 ASP A 57 128.046 10.543 14.035 1.00 0.73 O ATOM 0 H ASP A 57 129.886 8.276 11.914 1.00 0.40 H new ATOM 0 HA ASP A 57 127.392 8.917 10.594 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.552 10.601 11.948 1.00 0.45 H new ATOM 0 HB3 ASP A 57 128.064 11.287 11.326 1.00 0.45 H new ATOM 895 N LEU A 58 130.186 9.832 9.135 1.00 0.40 N ATOM 896 CA LEU A 58 130.683 10.313 7.818 1.00 0.40 C ATOM 897 C LEU A 58 130.408 9.234 6.769 1.00 0.37 C ATOM 898 O LEU A 58 130.020 9.523 5.653 1.00 0.38 O ATOM 899 CB LEU A 58 132.186 10.600 7.888 1.00 0.40 C ATOM 900 CG LEU A 58 132.468 11.668 8.956 1.00 0.47 C ATOM 901 CD1 LEU A 58 133.978 11.920 9.035 1.00 0.45 C ATOM 902 CD2 LEU A 58 131.746 12.981 8.600 1.00 0.55 C ATOM 0 H LEU A 58 130.904 9.572 9.811 1.00 0.40 H new ATOM 0 HA LEU A 58 130.170 11.236 7.549 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.729 9.685 8.125 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.545 10.941 6.917 1.00 0.40 H new ATOM 0 HG LEU A 58 132.102 11.314 9.919 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.181 12.677 9.792 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.488 10.994 9.302 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.340 12.268 8.067 1.00 0.45 H new ATOM 0 HD21 LEU A 58 131.954 13.729 9.365 1.00 0.55 H new ATOM 0 HD22 LEU A 58 132.100 13.341 7.634 1.00 0.55 H new ATOM 0 HD23 LEU A 58 130.672 12.803 8.549 1.00 0.55 H new ATOM 914 N PHE A 59 130.597 7.987 7.125 1.00 0.36 N ATOM 915 CA PHE A 59 130.334 6.884 6.157 1.00 0.35 C ATOM 916 C PHE A 59 128.858 6.886 5.751 1.00 0.35 C ATOM 917 O PHE A 59 128.527 6.833 4.582 1.00 0.35 O ATOM 918 CB PHE A 59 130.692 5.543 6.802 1.00 0.34 C ATOM 919 CG PHE A 59 130.421 4.417 5.830 1.00 0.33 C ATOM 920 CD1 PHE A 59 131.423 3.988 4.949 1.00 0.35 C ATOM 921 CD2 PHE A 59 129.164 3.795 5.815 1.00 0.36 C ATOM 922 CE1 PHE A 59 131.169 2.939 4.055 1.00 0.36 C ATOM 923 CE2 PHE A 59 128.912 2.747 4.920 1.00 0.38 C ATOM 924 CZ PHE A 59 129.914 2.319 4.041 1.00 0.36 C ATOM 0 H PHE A 59 130.922 7.688 8.044 1.00 0.36 H new ATOM 0 HA PHE A 59 130.946 7.033 5.267 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.742 5.539 7.094 1.00 0.34 H new ATOM 0 HB3 PHE A 59 130.108 5.399 7.711 1.00 0.34 H new ATOM 0 HD1 PHE A 59 132.391 4.466 4.959 1.00 0.35 H new ATOM 0 HD2 PHE A 59 128.391 4.124 6.493 1.00 0.36 H new ATOM 0 HE1 PHE A 59 131.942 2.609 3.377 1.00 0.36 H new ATOM 0 HE2 PHE A 59 127.944 2.269 4.908 1.00 0.38 H new ATOM 0 HZ PHE A 59 129.719 1.510 3.352 1.00 0.36 H new ATOM 934 N ARG A 60 127.965 6.928 6.707 1.00 0.37 N ATOM 935 CA ARG A 60 126.515 6.909 6.362 1.00 0.38 C ATOM 936 C ARG A 60 126.145 8.133 5.523 1.00 0.39 C ATOM 937 O ARG A 60 125.417 8.028 4.557 1.00 0.39 O ATOM 938 CB ARG A 60 125.665 6.895 7.636 1.00 0.42 C ATOM 939 CG ARG A 60 125.799 5.537 8.329 1.00 0.43 C ATOM 940 CD ARG A 60 124.914 5.504 9.579 1.00 0.50 C ATOM 941 NE ARG A 60 125.338 6.566 10.532 1.00 1.31 N ATOM 942 CZ ARG A 60 124.550 6.917 11.511 1.00 1.55 C ATOM 943 NH1 ARG A 60 123.381 6.348 11.645 1.00 1.16 N ATOM 944 NH2 ARG A 60 124.928 7.835 12.357 1.00 2.64 N ATOM 0 H ARG A 60 128.177 6.974 7.704 1.00 0.37 H new ATOM 0 HA ARG A 60 126.318 6.006 5.784 1.00 0.38 H new ATOM 0 HB2 ARG A 60 125.986 7.691 8.308 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.621 7.088 7.390 1.00 0.42 H new ATOM 0 HG2 ARG A 60 125.509 4.739 7.645 1.00 0.43 H new ATOM 0 HG3 ARG A 60 126.839 5.359 8.603 1.00 0.43 H new ATOM 0 HD2 ARG A 60 123.871 5.650 9.300 1.00 0.50 H new ATOM 0 HD3 ARG A 60 124.982 4.527 10.057 1.00 0.50 H new ATOM 0 HE ARG A 60 126.245 7.019 10.420 1.00 1.31 H new ATOM 0 HH11 ARG A 60 123.085 5.630 10.984 1.00 1.16 H new ATOM 0 HH12 ARG A 60 122.765 6.622 12.410 1.00 1.16 H new ATOM 0 HH21 ARG A 60 125.840 8.279 12.254 1.00 2.64 H new ATOM 0 HH22 ARG A 60 124.311 8.109 13.122 1.00 2.64 H new ATOM 958 N GLU A 61 126.636 9.292 5.867 1.00 0.41 N ATOM 959 CA GLU A 61 126.300 10.502 5.066 1.00 0.44 C ATOM 960 C GLU A 61 126.880 10.352 3.658 1.00 0.42 C ATOM 961 O GLU A 61 126.264 10.733 2.682 1.00 0.42 O ATOM 962 CB GLU A 61 126.889 11.743 5.740 1.00 0.48 C ATOM 963 CG GLU A 61 126.372 13.002 5.038 1.00 1.29 C ATOM 964 CD GLU A 61 126.879 14.245 5.773 1.00 1.76 C ATOM 965 OE1 GLU A 61 127.457 14.086 6.834 1.00 2.37 O ATOM 966 OE2 GLU A 61 126.680 15.335 5.259 1.00 2.32 O ATOM 0 H GLU A 61 127.252 9.453 6.664 1.00 0.41 H new ATOM 0 HA GLU A 61 125.217 10.611 5.002 1.00 0.44 H new ATOM 0 HB2 GLU A 61 126.613 11.763 6.794 1.00 0.48 H new ATOM 0 HB3 GLU A 61 127.978 11.711 5.696 1.00 0.48 H new ATOM 0 HG2 GLU A 61 126.709 13.017 4.002 1.00 1.29 H new ATOM 0 HG3 GLU A 61 125.282 12.998 5.018 1.00 1.29 H new ATOM 973 N TRP A 62 128.059 9.812 3.539 1.00 0.40 N ATOM 974 CA TRP A 62 128.670 9.651 2.186 1.00 0.38 C ATOM 975 C TRP A 62 127.805 8.747 1.305 1.00 0.36 C ATOM 976 O TRP A 62 127.508 9.066 0.173 1.00 0.36 O ATOM 977 CB TRP A 62 130.064 9.018 2.315 1.00 0.38 C ATOM 978 CG TRP A 62 130.580 8.665 0.949 1.00 0.36 C ATOM 979 CD1 TRP A 62 131.140 9.537 0.085 1.00 0.38 C ATOM 980 CD2 TRP A 62 130.565 7.371 0.274 1.00 0.34 C ATOM 981 NE1 TRP A 62 131.479 8.864 -1.077 1.00 0.37 N ATOM 982 CE2 TRP A 62 131.144 7.525 -1.009 1.00 0.35 C ATOM 983 CE3 TRP A 62 130.113 6.091 0.646 1.00 0.32 C ATOM 984 CZ2 TRP A 62 131.269 6.448 -1.892 1.00 0.34 C ATOM 985 CZ3 TRP A 62 130.239 5.006 -0.239 1.00 0.31 C ATOM 986 CH2 TRP A 62 130.816 5.186 -1.504 1.00 0.32 C ATOM 0 H TRP A 62 128.627 9.475 4.316 1.00 0.40 H new ATOM 0 HA TRP A 62 128.744 10.638 1.729 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.747 9.712 2.806 1.00 0.38 H new ATOM 0 HB3 TRP A 62 130.014 8.126 2.939 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.298 10.589 0.270 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.922 9.303 -1.884 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.666 5.941 1.618 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.712 6.591 -2.866 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.889 4.028 0.057 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.910 4.348 -2.179 1.00 0.32 H new ATOM 997 N LEU A 63 127.419 7.612 1.810 1.00 0.34 N ATOM 998 CA LEU A 63 126.600 6.675 0.997 1.00 0.32 C ATOM 999 C LEU A 63 125.221 7.282 0.737 1.00 0.33 C ATOM 1000 O LEU A 63 124.744 7.318 -0.380 1.00 0.32 O ATOM 1001 CB LEU A 63 126.445 5.358 1.769 1.00 0.31 C ATOM 1002 CG LEU A 63 125.681 4.323 0.929 1.00 0.31 C ATOM 1003 CD1 LEU A 63 126.550 3.829 -0.239 1.00 0.30 C ATOM 1004 CD2 LEU A 63 125.297 3.140 1.820 1.00 0.32 C ATOM 0 H LEU A 63 127.636 7.292 2.754 1.00 0.34 H new ATOM 0 HA LEU A 63 127.091 6.491 0.041 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.428 4.967 2.031 1.00 0.31 H new ATOM 0 HB3 LEU A 63 125.914 5.539 2.704 1.00 0.31 H new ATOM 0 HG LEU A 63 124.784 4.788 0.521 1.00 0.31 H new ATOM 0 HD11 LEU A 63 125.993 3.097 -0.823 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.818 4.672 -0.875 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.457 3.367 0.152 1.00 0.30 H new ATOM 0 HD21 LEU A 63 124.754 2.401 1.230 1.00 0.32 H new ATOM 0 HD22 LEU A 63 126.199 2.685 2.230 1.00 0.32 H new ATOM 0 HD23 LEU A 63 124.664 3.489 2.636 1.00 0.32 H new ATOM 1016 N LYS A 64 124.580 7.759 1.763 1.00 0.35 N ATOM 1017 CA LYS A 64 123.232 8.363 1.586 1.00 0.37 C ATOM 1018 C LYS A 64 123.325 9.581 0.665 1.00 0.39 C ATOM 1019 O LYS A 64 122.549 9.742 -0.253 1.00 0.39 O ATOM 1020 CB LYS A 64 122.667 8.779 2.946 1.00 0.41 C ATOM 1021 CG LYS A 64 121.238 9.294 2.762 1.00 0.43 C ATOM 1022 CD LYS A 64 120.659 9.691 4.118 1.00 0.68 C ATOM 1023 CE LYS A 64 119.203 10.120 3.941 1.00 1.25 C ATOM 1024 NZ LYS A 64 118.382 8.935 3.559 1.00 2.11 N ATOM 0 H LYS A 64 124.932 7.757 2.720 1.00 0.35 H new ATOM 0 HA LYS A 64 122.567 7.627 1.135 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.675 7.931 3.631 1.00 0.41 H new ATOM 0 HB3 LYS A 64 123.291 9.554 3.391 1.00 0.41 H new ATOM 0 HG2 LYS A 64 121.233 10.151 2.088 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.619 8.523 2.302 1.00 0.43 H new ATOM 0 HD2 LYS A 64 120.721 8.853 4.812 1.00 0.68 H new ATOM 0 HD3 LYS A 64 121.240 10.506 4.550 1.00 0.68 H new ATOM 0 HE2 LYS A 64 118.825 10.555 4.866 1.00 1.25 H new ATOM 0 HE3 LYS A 64 119.130 10.890 3.173 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 117.380 9.126 3.764 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 118.498 8.745 2.543 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 118.695 8.106 4.104 1.00 2.11 H new ATOM 1038 N ASP A 65 124.273 10.439 0.914 1.00 0.41 N ATOM 1039 CA ASP A 65 124.428 11.654 0.067 1.00 0.45 C ATOM 1040 C ASP A 65 124.905 11.256 -1.330 1.00 0.43 C ATOM 1041 O ASP A 65 124.619 11.918 -2.305 1.00 0.46 O ATOM 1042 CB ASP A 65 125.456 12.592 0.702 1.00 0.49 C ATOM 1043 CG ASP A 65 125.440 13.936 -0.028 1.00 1.17 C ATOM 1044 OD1 ASP A 65 125.306 13.926 -1.241 1.00 1.90 O ATOM 1045 OD2 ASP A 65 125.568 14.949 0.636 1.00 1.42 O ATOM 0 H ASP A 65 124.951 10.351 1.671 1.00 0.41 H new ATOM 0 HA ASP A 65 123.466 12.160 -0.010 1.00 0.45 H new ATOM 0 HB2 ASP A 65 125.228 12.737 1.758 1.00 0.49 H new ATOM 0 HB3 ASP A 65 126.450 12.149 0.648 1.00 0.49 H new ATOM 1050 N THR A 66 125.663 10.199 -1.426 1.00 0.40 N ATOM 1051 CA THR A 66 126.197 9.778 -2.751 1.00 0.39 C ATOM 1052 C THR A 66 125.144 9.021 -3.561 1.00 0.39 C ATOM 1053 O THR A 66 125.147 9.091 -4.776 1.00 0.41 O ATOM 1054 CB THR A 66 127.419 8.881 -2.541 1.00 0.38 C ATOM 1055 OG1 THR A 66 128.451 9.635 -1.917 1.00 0.37 O ATOM 1056 CG2 THR A 66 127.915 8.359 -3.892 1.00 0.39 C ATOM 0 H THR A 66 125.936 9.607 -0.641 1.00 0.40 H new ATOM 0 HA THR A 66 126.476 10.673 -3.308 1.00 0.39 H new ATOM 0 HB THR A 66 127.146 8.037 -1.908 1.00 0.38 H new ATOM 0 HG1 THR A 66 128.498 9.401 -0.966 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.785 7.721 -3.738 1.00 0.39 H new ATOM 0 HG22 THR A 66 127.124 7.784 -4.373 1.00 0.39 H new ATOM 0 HG23 THR A 66 128.190 9.200 -4.528 1.00 0.39 H new ATOM 1064 N CYS A 67 124.265 8.267 -2.936 1.00 0.37 N ATOM 1065 CA CYS A 67 123.252 7.484 -3.722 1.00 0.38 C ATOM 1066 C CYS A 67 121.842 7.655 -3.151 1.00 0.37 C ATOM 1067 O CYS A 67 120.867 7.613 -3.875 1.00 0.40 O ATOM 1068 CB CYS A 67 123.629 6.004 -3.665 1.00 0.37 C ATOM 1069 SG CYS A 67 123.432 5.396 -1.971 1.00 0.36 S ATOM 0 H CYS A 67 124.205 8.160 -1.923 1.00 0.37 H new ATOM 0 HA CYS A 67 123.252 7.853 -4.748 1.00 0.38 H new ATOM 0 HB2 CYS A 67 122.998 5.431 -4.344 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.659 5.867 -3.994 1.00 0.37 H new ATOM 0 HG CYS A 67 124.228 6.051 -1.179 1.00 0.36 H new ATOM 1075 N GLY A 68 121.724 7.839 -1.858 1.00 0.36 N ATOM 1076 CA GLY A 68 120.374 8.003 -1.227 1.00 0.36 C ATOM 1077 C GLY A 68 120.047 6.749 -0.412 1.00 0.34 C ATOM 1078 O GLY A 68 118.913 6.519 -0.045 1.00 0.34 O ATOM 0 H GLY A 68 122.509 7.883 -1.208 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.364 8.883 -0.584 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.617 8.161 -1.995 1.00 0.36 H new ATOM 1082 N ALA A 69 121.028 5.936 -0.125 1.00 0.33 N ATOM 1083 CA ALA A 69 120.760 4.701 0.668 1.00 0.32 C ATOM 1084 C ALA A 69 120.026 5.075 1.957 1.00 0.31 C ATOM 1085 O ALA A 69 120.149 6.177 2.454 1.00 0.32 O ATOM 1086 CB ALA A 69 122.082 4.010 1.013 1.00 0.32 C ATOM 0 H ALA A 69 122.000 6.072 -0.404 1.00 0.33 H new ATOM 0 HA ALA A 69 120.143 4.021 0.081 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.881 3.109 1.592 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.603 3.742 0.094 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.704 4.687 1.599 1.00 0.32 H new ATOM 1092 N ASN A 70 119.260 4.168 2.502 1.00 0.30 N ATOM 1093 CA ASN A 70 118.513 4.471 3.761 1.00 0.30 C ATOM 1094 C ASN A 70 119.316 3.989 4.969 1.00 0.30 C ATOM 1095 O ASN A 70 120.373 3.402 4.839 1.00 0.29 O ATOM 1096 CB ASN A 70 117.158 3.764 3.739 1.00 0.30 C ATOM 1097 CG ASN A 70 116.326 4.271 2.558 1.00 1.06 C ATOM 1098 OD1 ASN A 70 116.204 5.462 2.351 1.00 1.90 O ATOM 1099 ND2 ASN A 70 115.737 3.410 1.774 1.00 1.77 N ATOM 0 H ASN A 70 119.118 3.229 2.130 1.00 0.30 H new ATOM 0 HA ASN A 70 118.361 5.548 3.834 1.00 0.30 H new ATOM 0 HB2 ASN A 70 117.301 2.686 3.658 1.00 0.30 H new ATOM 0 HB3 ASN A 70 116.628 3.946 4.674 1.00 0.30 H new ATOM 0 HD21 ASN A 70 115.175 3.737 0.988 1.00 1.77 H new ATOM 0 HD22 ASN A 70 115.839 2.410 1.947 1.00 1.77 H new ATOM 1106 N ALA A 71 118.823 4.254 6.145 1.00 0.32 N ATOM 1107 CA ALA A 71 119.542 3.840 7.382 1.00 0.34 C ATOM 1108 C ALA A 71 119.716 2.317 7.440 1.00 0.32 C ATOM 1109 O ALA A 71 120.704 1.827 7.941 1.00 0.32 O ATOM 1110 CB ALA A 71 118.745 4.300 8.603 1.00 0.39 C ATOM 0 H ALA A 71 117.943 4.745 6.304 1.00 0.32 H new ATOM 0 HA ALA A 71 120.530 4.299 7.375 1.00 0.34 H new ATOM 0 HB1 ALA A 71 119.266 4.000 9.512 1.00 0.39 H new ATOM 0 HB2 ALA A 71 118.644 5.385 8.584 1.00 0.39 H new ATOM 0 HB3 ALA A 71 117.755 3.843 8.585 1.00 0.39 H new ATOM 1116 N LYS A 72 118.769 1.558 6.965 1.00 0.30 N ATOM 1117 CA LYS A 72 118.918 0.074 7.049 1.00 0.29 C ATOM 1118 C LYS A 72 120.011 -0.411 6.096 1.00 0.27 C ATOM 1119 O LYS A 72 120.808 -1.263 6.433 1.00 0.27 O ATOM 1120 CB LYS A 72 117.584 -0.588 6.693 1.00 0.29 C ATOM 1121 CG LYS A 72 117.682 -2.101 6.912 1.00 1.18 C ATOM 1122 CD LYS A 72 116.321 -2.742 6.638 1.00 1.29 C ATOM 1123 CE LYS A 72 116.429 -4.262 6.781 1.00 2.11 C ATOM 1124 NZ LYS A 72 116.809 -4.608 8.178 1.00 2.58 N ATOM 0 H LYS A 72 117.910 1.892 6.528 1.00 0.30 H new ATOM 0 HA LYS A 72 119.203 -0.198 8.065 1.00 0.29 H new ATOM 0 HB2 LYS A 72 116.786 -0.173 7.308 1.00 0.29 H new ATOM 0 HB3 LYS A 72 117.328 -0.377 5.655 1.00 0.29 H new ATOM 0 HG2 LYS A 72 118.437 -2.527 6.251 1.00 1.18 H new ATOM 0 HG3 LYS A 72 117.997 -2.312 7.934 1.00 1.18 H new ATOM 0 HD2 LYS A 72 115.578 -2.353 7.335 1.00 1.29 H new ATOM 0 HD3 LYS A 72 115.982 -2.485 5.634 1.00 1.29 H new ATOM 0 HE2 LYS A 72 115.478 -4.730 6.526 1.00 2.11 H new ATOM 0 HE3 LYS A 72 117.172 -4.651 6.085 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 116.621 -5.616 8.349 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 117.821 -4.415 8.320 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 116.251 -4.034 8.842 1.00 2.58 H new ATOM 1138 N GLN A 73 120.045 0.109 4.903 1.00 0.26 N ATOM 1139 CA GLN A 73 121.073 -0.335 3.921 1.00 0.25 C ATOM 1140 C GLN A 73 122.471 0.103 4.357 1.00 0.25 C ATOM 1141 O GLN A 73 123.432 -0.623 4.197 1.00 0.25 O ATOM 1142 CB GLN A 73 120.745 0.253 2.546 1.00 0.26 C ATOM 1143 CG GLN A 73 119.606 -0.546 1.906 1.00 0.29 C ATOM 1144 CD GLN A 73 118.395 -0.559 2.840 1.00 1.24 C ATOM 1145 OE1 GLN A 73 117.991 0.468 3.345 1.00 2.12 O ATOM 1146 NE2 GLN A 73 117.793 -1.691 3.091 1.00 1.88 N ATOM 0 H GLN A 73 119.403 0.825 4.563 1.00 0.26 H new ATOM 0 HA GLN A 73 121.062 -1.424 3.869 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.458 1.300 2.646 1.00 0.26 H new ATOM 0 HB3 GLN A 73 121.627 0.224 1.907 1.00 0.26 H new ATOM 0 HG2 GLN A 73 119.333 -0.104 0.948 1.00 0.29 H new ATOM 0 HG3 GLN A 73 119.933 -1.566 1.705 1.00 0.29 H new ATOM 0 HE21 GLN A 73 118.132 -2.554 2.667 1.00 1.88 H new ATOM 0 HE22 GLN A 73 116.984 -1.712 3.711 1.00 1.88 H new ATOM 1155 N SER A 74 122.608 1.285 4.894 1.00 0.26 N ATOM 1156 CA SER A 74 123.956 1.745 5.314 1.00 0.27 C ATOM 1157 C SER A 74 124.451 0.916 6.503 1.00 0.26 C ATOM 1158 O SER A 74 125.616 0.589 6.588 1.00 0.26 O ATOM 1159 CB SER A 74 123.903 3.228 5.692 1.00 0.30 C ATOM 1160 OG SER A 74 125.202 3.787 5.550 1.00 1.36 O ATOM 0 H SER A 74 121.849 1.946 5.058 1.00 0.26 H new ATOM 0 HA SER A 74 124.650 1.613 4.484 1.00 0.27 H new ATOM 0 HB2 SER A 74 123.194 3.755 5.053 1.00 0.30 H new ATOM 0 HB3 SER A 74 123.553 3.343 6.718 1.00 0.30 H new ATOM 0 HG SER A 74 125.213 4.399 4.785 1.00 1.36 H new ATOM 1166 N ARG A 75 123.588 0.566 7.425 1.00 0.27 N ATOM 1167 CA ARG A 75 124.041 -0.243 8.591 1.00 0.28 C ATOM 1168 C ARG A 75 124.604 -1.579 8.110 1.00 0.26 C ATOM 1169 O ARG A 75 125.569 -2.074 8.658 1.00 0.27 O ATOM 1170 CB ARG A 75 122.874 -0.471 9.552 1.00 0.30 C ATOM 1171 CG ARG A 75 122.541 0.845 10.259 1.00 0.33 C ATOM 1172 CD ARG A 75 121.287 0.668 11.114 1.00 0.61 C ATOM 1173 NE ARG A 75 121.501 -0.442 12.083 1.00 1.34 N ATOM 1174 CZ ARG A 75 120.708 -0.578 13.109 1.00 1.81 C ATOM 1175 NH1 ARG A 75 119.746 0.282 13.307 1.00 1.88 N ATOM 1176 NH2 ARG A 75 120.880 -1.569 13.941 1.00 2.80 N ATOM 0 H ARG A 75 122.596 0.805 7.418 1.00 0.27 H new ATOM 0 HA ARG A 75 124.827 0.298 9.118 1.00 0.28 H new ATOM 0 HB2 ARG A 75 122.004 -0.835 9.006 1.00 0.30 H new ATOM 0 HB3 ARG A 75 123.134 -1.236 10.284 1.00 0.30 H new ATOM 0 HG2 ARG A 75 123.378 1.155 10.884 1.00 0.33 H new ATOM 0 HG3 ARG A 75 122.383 1.634 9.524 1.00 0.33 H new ATOM 0 HD2 ARG A 75 121.063 1.592 11.647 1.00 0.61 H new ATOM 0 HD3 ARG A 75 120.428 0.450 10.479 1.00 0.61 H new ATOM 0 HE ARG A 75 122.270 -1.098 11.944 1.00 1.34 H new ATOM 0 HH11 ARG A 75 119.615 1.059 12.659 1.00 1.88 H new ATOM 0 HH12 ARG A 75 119.125 0.177 14.109 1.00 1.88 H new ATOM 0 HH21 ARG A 75 121.635 -2.238 13.789 1.00 2.80 H new ATOM 0 HH22 ARG A 75 120.259 -1.675 14.743 1.00 2.80 H new ATOM 1190 N ASP A 76 124.016 -2.193 7.117 1.00 0.25 N ATOM 1191 CA ASP A 76 124.528 -3.510 6.648 1.00 0.24 C ATOM 1192 C ASP A 76 125.896 -3.346 5.990 1.00 0.23 C ATOM 1193 O ASP A 76 126.777 -4.164 6.172 1.00 0.23 O ATOM 1194 CB ASP A 76 123.550 -4.103 5.629 1.00 0.24 C ATOM 1195 CG ASP A 76 122.262 -4.524 6.336 1.00 0.25 C ATOM 1196 OD1 ASP A 76 122.274 -4.593 7.555 1.00 0.40 O ATOM 1197 OD2 ASP A 76 121.286 -4.772 5.648 1.00 0.39 O ATOM 0 H ASP A 76 123.204 -1.838 6.612 1.00 0.25 H new ATOM 0 HA ASP A 76 124.623 -4.175 7.507 1.00 0.24 H new ATOM 0 HB2 ASP A 76 123.328 -3.369 4.854 1.00 0.24 H new ATOM 0 HB3 ASP A 76 124.002 -4.962 5.134 1.00 0.24 H new ATOM 1202 N CYS A 77 126.094 -2.305 5.232 1.00 0.22 N ATOM 1203 CA CYS A 77 127.416 -2.113 4.578 1.00 0.22 C ATOM 1204 C CYS A 77 128.463 -1.770 5.635 1.00 0.22 C ATOM 1205 O CYS A 77 129.587 -2.225 5.573 1.00 0.21 O ATOM 1206 CB CYS A 77 127.315 -0.955 3.587 1.00 0.23 C ATOM 1207 SG CYS A 77 126.285 -1.454 2.188 1.00 0.24 S ATOM 0 H CYS A 77 125.401 -1.582 5.038 1.00 0.22 H new ATOM 0 HA CYS A 77 127.704 -3.028 4.060 1.00 0.22 H new ATOM 0 HB2 CYS A 77 126.886 -0.080 4.075 1.00 0.23 H new ATOM 0 HB3 CYS A 77 128.308 -0.671 3.239 1.00 0.23 H new ATOM 0 HG CYS A 77 126.127 -2.744 2.204 1.00 0.24 H new ATOM 1213 N PHE A 78 128.114 -0.961 6.597 1.00 0.23 N ATOM 1214 CA PHE A 78 129.111 -0.584 7.633 1.00 0.25 C ATOM 1215 C PHE A 78 129.606 -1.843 8.344 1.00 0.24 C ATOM 1216 O PHE A 78 130.781 -2.154 8.336 1.00 0.23 O ATOM 1217 CB PHE A 78 128.446 0.358 8.641 1.00 0.29 C ATOM 1218 CG PHE A 78 129.471 0.869 9.623 1.00 0.32 C ATOM 1219 CD1 PHE A 78 130.205 2.024 9.326 1.00 0.36 C ATOM 1220 CD2 PHE A 78 129.682 0.196 10.833 1.00 0.38 C ATOM 1221 CE1 PHE A 78 131.151 2.504 10.238 1.00 0.41 C ATOM 1222 CE2 PHE A 78 130.627 0.676 11.745 1.00 0.43 C ATOM 1223 CZ PHE A 78 131.362 1.830 11.447 1.00 0.43 C ATOM 0 H PHE A 78 127.188 -0.548 6.709 1.00 0.23 H new ATOM 0 HA PHE A 78 129.960 -0.081 7.170 1.00 0.25 H new ATOM 0 HB2 PHE A 78 127.982 1.195 8.118 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.651 -0.166 9.172 1.00 0.29 H new ATOM 0 HD1 PHE A 78 130.041 2.544 8.394 1.00 0.36 H new ATOM 0 HD2 PHE A 78 129.115 -0.694 11.062 1.00 0.38 H new ATOM 0 HE1 PHE A 78 131.718 3.394 10.010 1.00 0.41 H new ATOM 0 HE2 PHE A 78 130.790 0.157 12.678 1.00 0.43 H new ATOM 0 HZ PHE A 78 132.093 2.201 12.151 1.00 0.43 H new ATOM 1233 N GLY A 79 128.718 -2.564 8.970 1.00 0.25 N ATOM 1234 CA GLY A 79 129.121 -3.801 9.698 1.00 0.26 C ATOM 1235 C GLY A 79 129.685 -4.844 8.724 1.00 0.24 C ATOM 1236 O GLY A 79 130.579 -5.595 9.058 1.00 0.24 O ATOM 0 H GLY A 79 127.722 -2.348 9.009 1.00 0.25 H new ATOM 0 HA2 GLY A 79 129.870 -3.558 10.452 1.00 0.26 H new ATOM 0 HA3 GLY A 79 128.261 -4.215 10.225 1.00 0.26 H new ATOM 1240 N CYS A 80 129.178 -4.892 7.523 1.00 0.22 N ATOM 1241 CA CYS A 80 129.700 -5.886 6.540 1.00 0.22 C ATOM 1242 C CYS A 80 131.099 -5.476 6.090 1.00 0.22 C ATOM 1243 O CYS A 80 132.008 -6.280 6.060 1.00 0.23 O ATOM 1244 CB CYS A 80 128.767 -5.946 5.333 1.00 0.22 C ATOM 1245 SG CYS A 80 129.394 -7.156 4.143 1.00 0.25 S ATOM 0 H CYS A 80 128.429 -4.290 7.180 1.00 0.22 H new ATOM 0 HA CYS A 80 129.748 -6.869 7.008 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.761 -6.221 5.651 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.696 -4.964 4.866 1.00 0.22 H new ATOM 0 HG CYS A 80 128.963 -8.341 4.461 1.00 0.25 H new ATOM 1251 N LEU A 81 131.291 -4.229 5.770 1.00 0.21 N ATOM 1252 CA LEU A 81 132.652 -3.792 5.361 1.00 0.21 C ATOM 1253 C LEU A 81 133.561 -3.819 6.597 1.00 0.22 C ATOM 1254 O LEU A 81 134.709 -4.211 6.529 1.00 0.22 O ATOM 1255 CB LEU A 81 132.573 -2.363 4.808 1.00 0.22 C ATOM 1256 CG LEU A 81 131.686 -2.329 3.548 1.00 0.24 C ATOM 1257 CD1 LEU A 81 131.193 -0.900 3.305 1.00 0.30 C ATOM 1258 CD2 LEU A 81 132.489 -2.781 2.321 1.00 0.28 C ATOM 0 H LEU A 81 130.575 -3.502 5.773 1.00 0.21 H new ATOM 0 HA LEU A 81 133.052 -4.454 4.592 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.166 -1.694 5.566 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.573 -2.002 4.568 1.00 0.22 H new ATOM 0 HG LEU A 81 130.841 -3.000 3.701 1.00 0.24 H new ATOM 0 HD11 LEU A 81 130.566 -0.878 2.414 1.00 0.30 H new ATOM 0 HD12 LEU A 81 130.613 -0.564 4.165 1.00 0.30 H new ATOM 0 HD13 LEU A 81 132.048 -0.239 3.163 1.00 0.30 H new ATOM 0 HD21 LEU A 81 131.851 -2.752 1.438 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.339 -2.114 2.176 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.849 -3.798 2.476 1.00 0.28 H new ATOM 1270 N ARG A 82 133.050 -3.402 7.728 1.00 0.22 N ATOM 1271 CA ARG A 82 133.880 -3.400 8.970 1.00 0.24 C ATOM 1272 C ARG A 82 134.246 -4.833 9.367 1.00 0.25 C ATOM 1273 O ARG A 82 135.349 -5.100 9.801 1.00 0.26 O ATOM 1274 CB ARG A 82 133.114 -2.717 10.109 1.00 0.28 C ATOM 1275 CG ARG A 82 133.995 -2.667 11.364 1.00 0.33 C ATOM 1276 CD ARG A 82 133.243 -1.973 12.502 1.00 0.84 C ATOM 1277 NE ARG A 82 134.138 -1.877 13.692 1.00 1.41 N ATOM 1278 CZ ARG A 82 133.821 -1.103 14.693 1.00 1.95 C ATOM 1279 NH1 ARG A 82 132.708 -0.423 14.667 1.00 2.25 N ATOM 1280 NH2 ARG A 82 134.617 -1.013 15.723 1.00 2.73 N ATOM 0 H ARG A 82 132.095 -3.063 7.844 1.00 0.22 H new ATOM 0 HA ARG A 82 134.799 -2.846 8.778 1.00 0.24 H new ATOM 0 HB2 ARG A 82 132.827 -1.708 9.814 1.00 0.28 H new ATOM 0 HB3 ARG A 82 132.194 -3.262 10.320 1.00 0.28 H new ATOM 0 HG2 ARG A 82 134.274 -3.677 11.664 1.00 0.33 H new ATOM 0 HG3 ARG A 82 134.920 -2.132 11.148 1.00 0.33 H new ATOM 0 HD2 ARG A 82 132.924 -0.978 12.190 1.00 0.84 H new ATOM 0 HD3 ARG A 82 132.342 -2.532 12.753 1.00 0.84 H new ATOM 0 HE ARG A 82 135.002 -2.419 13.723 1.00 1.41 H new ATOM 0 HH11 ARG A 82 132.084 -0.496 13.863 1.00 2.25 H new ATOM 0 HH12 ARG A 82 132.461 0.182 15.450 1.00 2.25 H new ATOM 0 HH21 ARG A 82 135.486 -1.547 15.745 1.00 2.73 H new ATOM 0 HH22 ARG A 82 134.371 -0.408 16.507 1.00 2.73 H new ATOM 1294 N GLU A 83 133.331 -5.758 9.242 1.00 0.25 N ATOM 1295 CA GLU A 83 133.636 -7.166 9.633 1.00 0.28 C ATOM 1296 C GLU A 83 134.653 -7.783 8.672 1.00 0.27 C ATOM 1297 O GLU A 83 135.551 -8.484 9.093 1.00 0.29 O ATOM 1298 CB GLU A 83 132.340 -7.997 9.630 1.00 0.30 C ATOM 1299 CG GLU A 83 131.559 -7.736 10.924 1.00 0.33 C ATOM 1300 CD GLU A 83 130.271 -8.557 10.927 1.00 1.19 C ATOM 1301 OE1 GLU A 83 130.312 -9.684 11.395 1.00 1.56 O ATOM 1302 OE2 GLU A 83 129.269 -8.049 10.453 1.00 1.91 O ATOM 0 H GLU A 83 132.388 -5.600 8.887 1.00 0.25 H new ATOM 0 HA GLU A 83 134.064 -7.166 10.635 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.730 -7.735 8.766 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.576 -9.058 9.543 1.00 0.30 H new ATOM 0 HG2 GLU A 83 132.170 -7.999 11.787 1.00 0.33 H new ATOM 0 HG3 GLU A 83 131.325 -6.675 11.010 1.00 0.33 H new ATOM 1309 N TRP A 84 134.561 -7.524 7.393 1.00 0.25 N ATOM 1310 CA TRP A 84 135.572 -8.105 6.470 1.00 0.25 C ATOM 1311 C TRP A 84 136.945 -7.581 6.899 1.00 0.27 C ATOM 1312 O TRP A 84 137.918 -8.305 6.944 1.00 0.28 O ATOM 1313 CB TRP A 84 135.277 -7.678 5.032 1.00 0.25 C ATOM 1314 CG TRP A 84 136.283 -8.307 4.121 1.00 0.27 C ATOM 1315 CD1 TRP A 84 136.130 -9.505 3.510 1.00 0.30 C ATOM 1316 CD2 TRP A 84 137.592 -7.809 3.724 1.00 0.30 C ATOM 1317 NE1 TRP A 84 137.257 -9.769 2.755 1.00 0.33 N ATOM 1318 CE2 TRP A 84 138.188 -8.755 2.856 1.00 0.32 C ATOM 1319 CE3 TRP A 84 138.312 -6.638 4.026 1.00 0.31 C ATOM 1320 CZ2 TRP A 84 139.454 -8.548 2.308 1.00 0.36 C ATOM 1321 CZ3 TRP A 84 139.588 -6.428 3.477 1.00 0.35 C ATOM 1322 CH2 TRP A 84 140.157 -7.382 2.619 1.00 0.37 C ATOM 0 H TRP A 84 133.843 -6.946 6.957 1.00 0.25 H new ATOM 0 HA TRP A 84 135.546 -9.194 6.513 1.00 0.25 H new ATOM 0 HB2 TRP A 84 134.270 -7.983 4.748 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.318 -6.592 4.946 1.00 0.25 H new ATOM 0 HD1 TRP A 84 135.268 -10.149 3.598 1.00 0.30 H new ATOM 0 HE1 TRP A 84 137.385 -10.610 2.192 1.00 0.33 H new ATOM 0 HE3 TRP A 84 137.881 -5.897 4.683 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 139.888 -9.284 1.648 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 140.134 -5.528 3.716 1.00 0.35 H new ATOM 0 HH2 TRP A 84 141.138 -7.214 2.199 1.00 0.37 H new ATOM 1333 N CYS A 85 137.019 -6.320 7.222 1.00 0.27 N ATOM 1334 CA CYS A 85 138.312 -5.730 7.660 1.00 0.30 C ATOM 1335 C CYS A 85 138.799 -6.456 8.914 1.00 0.33 C ATOM 1336 O CYS A 85 139.969 -6.736 9.077 1.00 0.36 O ATOM 1337 CB CYS A 85 138.097 -4.244 7.974 1.00 0.33 C ATOM 1338 SG CYS A 85 137.893 -3.327 6.428 1.00 0.33 S ATOM 0 H CYS A 85 136.233 -5.670 7.201 1.00 0.27 H new ATOM 0 HA CYS A 85 139.058 -5.835 6.872 1.00 0.30 H new ATOM 0 HB2 CYS A 85 137.216 -4.118 8.604 1.00 0.33 H new ATOM 0 HB3 CYS A 85 138.947 -3.852 8.533 1.00 0.33 H new ATOM 0 HG CYS A 85 136.651 -3.386 6.049 1.00 0.33 H new ATOM 1344 N ASP A 86 137.903 -6.766 9.801 1.00 0.34 N ATOM 1345 CA ASP A 86 138.298 -7.468 11.051 1.00 0.39 C ATOM 1346 C ASP A 86 138.956 -8.808 10.705 1.00 0.41 C ATOM 1347 O ASP A 86 139.843 -9.268 11.396 1.00 0.43 O ATOM 1348 CB ASP A 86 137.053 -7.717 11.907 1.00 0.41 C ATOM 1349 CG ASP A 86 136.542 -6.386 12.465 1.00 0.42 C ATOM 1350 OD1 ASP A 86 137.354 -5.497 12.655 1.00 0.55 O ATOM 1351 OD2 ASP A 86 135.346 -6.279 12.688 1.00 0.51 O ATOM 0 H ASP A 86 136.907 -6.563 9.715 1.00 0.34 H new ATOM 0 HA ASP A 86 139.006 -6.852 11.605 1.00 0.39 H new ATOM 0 HB2 ASP A 86 136.277 -8.195 11.309 1.00 0.41 H new ATOM 0 HB3 ASP A 86 137.291 -8.399 12.724 1.00 0.41 H new ATOM 1356 N ALA A 87 138.516 -9.448 9.653 1.00 0.41 N ATOM 1357 CA ALA A 87 139.107 -10.772 9.280 1.00 0.43 C ATOM 1358 C ALA A 87 140.267 -10.605 8.288 1.00 0.43 C ATOM 1359 O ALA A 87 141.212 -11.369 8.308 1.00 0.48 O ATOM 1360 CB ALA A 87 138.025 -11.642 8.640 1.00 0.41 C ATOM 0 H ALA A 87 137.775 -9.114 9.036 1.00 0.41 H new ATOM 0 HA ALA A 87 139.492 -11.242 10.185 1.00 0.43 H new ATOM 0 HB1 ALA A 87 138.450 -12.608 8.366 1.00 0.41 H new ATOM 0 HB2 ALA A 87 137.211 -11.791 9.350 1.00 0.41 H new ATOM 0 HB3 ALA A 87 137.642 -11.148 7.747 1.00 0.41 H new ATOM 1366 N PHE A 88 140.193 -9.640 7.400 1.00 0.40 N ATOM 1367 CA PHE A 88 141.281 -9.456 6.377 1.00 0.44 C ATOM 1368 C PHE A 88 142.110 -8.201 6.660 1.00 0.54 C ATOM 1369 O PHE A 88 142.986 -7.852 5.895 1.00 1.24 O ATOM 1370 CB PHE A 88 140.653 -9.314 4.990 1.00 0.41 C ATOM 1371 CG PHE A 88 139.987 -10.609 4.605 1.00 0.39 C ATOM 1372 CD1 PHE A 88 140.720 -11.600 3.944 1.00 0.44 C ATOM 1373 CD2 PHE A 88 138.639 -10.821 4.908 1.00 0.35 C ATOM 1374 CE1 PHE A 88 140.104 -12.803 3.586 1.00 0.47 C ATOM 1375 CE2 PHE A 88 138.022 -12.024 4.549 1.00 0.40 C ATOM 1376 CZ PHE A 88 138.755 -13.013 3.887 1.00 0.45 C ATOM 0 H PHE A 88 139.426 -8.970 7.337 1.00 0.40 H new ATOM 0 HA PHE A 88 141.934 -10.328 6.424 1.00 0.44 H new ATOM 0 HB2 PHE A 88 139.924 -8.504 4.991 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.418 -9.054 4.258 1.00 0.41 H new ATOM 0 HD1 PHE A 88 141.762 -11.436 3.710 1.00 0.44 H new ATOM 0 HD2 PHE A 88 138.074 -10.056 5.419 1.00 0.35 H new ATOM 0 HE1 PHE A 88 140.670 -13.569 3.077 1.00 0.47 H new ATOM 0 HE2 PHE A 88 136.981 -12.188 4.783 1.00 0.40 H new ATOM 0 HZ PHE A 88 138.278 -13.941 3.608 1.00 0.45 H new ATOM 1386 N LEU A 89 141.838 -7.505 7.733 1.00 0.39 N ATOM 1387 CA LEU A 89 142.610 -6.258 8.031 1.00 0.36 C ATOM 1388 C LEU A 89 142.835 -6.149 9.543 1.00 0.87 C ATOM 1389 O LEU A 89 143.966 -6.321 9.967 1.00 1.43 O ATOM 1390 CB LEU A 89 141.796 -5.051 7.544 1.00 0.74 C ATOM 1391 CG LEU A 89 142.692 -3.809 7.397 1.00 0.47 C ATOM 1392 CD1 LEU A 89 143.453 -3.844 6.063 1.00 1.00 C ATOM 1393 CD2 LEU A 89 141.822 -2.551 7.439 1.00 1.28 C ATOM 1394 OXT LEU A 89 141.872 -5.897 10.249 1.00 1.66 O ATOM 0 H LEU A 89 141.118 -7.743 8.415 1.00 0.39 H new ATOM 0 HA LEU A 89 143.576 -6.284 7.526 1.00 0.36 H new ATOM 0 HB2 LEU A 89 141.330 -5.284 6.587 1.00 0.74 H new ATOM 0 HB3 LEU A 89 140.991 -4.842 8.248 1.00 0.74 H new ATOM 0 HG LEU A 89 143.412 -3.800 8.215 1.00 0.47 H new ATOM 0 HD11 LEU A 89 144.081 -2.957 5.979 1.00 1.00 H new ATOM 0 HD12 LEU A 89 144.078 -4.736 6.024 1.00 1.00 H new ATOM 0 HD13 LEU A 89 142.741 -3.864 5.238 1.00 1.00 H new ATOM 0 HD21 LEU A 89 142.453 -1.668 7.335 1.00 1.28 H new ATOM 0 HD22 LEU A 89 141.101 -2.580 6.622 1.00 1.28 H new ATOM 0 HD23 LEU A 89 141.291 -2.507 8.390 1.00 1.28 H new TER 1406 LEU A 89 ATOM 1407 N MET B 1 166.328 -4.968 -7.262 1.00 3.74 N ATOM 1408 CA MET B 1 165.333 -4.222 -6.443 1.00 3.26 C ATOM 1409 C MET B 1 165.294 -4.811 -5.031 1.00 2.28 C ATOM 1410 O MET B 1 164.450 -5.625 -4.710 1.00 2.68 O ATOM 1411 CB MET B 1 163.949 -4.348 -7.086 1.00 3.75 C ATOM 1412 CG MET B 1 162.968 -3.400 -6.390 1.00 4.33 C ATOM 1413 SD MET B 1 163.386 -1.689 -6.805 1.00 5.04 S ATOM 1414 CE MET B 1 162.157 -0.892 -5.742 1.00 5.66 C ATOM 0 H1 MET B 1 166.356 -4.569 -8.222 1.00 3.74 H new ATOM 0 H2 MET B 1 167.268 -4.886 -6.825 1.00 3.74 H new ATOM 0 H3 MET B 1 166.055 -5.970 -7.311 1.00 3.74 H new ATOM 0 HA MET B 1 165.617 -3.171 -6.392 1.00 3.26 H new ATOM 0 HB2 MET B 1 164.008 -4.110 -8.148 1.00 3.75 H new ATOM 0 HB3 MET B 1 163.594 -5.376 -7.009 1.00 3.75 H new ATOM 0 HG2 MET B 1 161.947 -3.622 -6.702 1.00 4.33 H new ATOM 0 HG3 MET B 1 163.010 -3.544 -5.310 1.00 4.33 H new ATOM 0 HE1 MET B 1 161.840 0.048 -6.194 1.00 5.66 H new ATOM 0 HE2 MET B 1 161.294 -1.549 -5.627 1.00 5.66 H new ATOM 0 HE3 MET B 1 162.595 -0.695 -4.764 1.00 5.66 H new ATOM 1426 N THR B 2 166.203 -4.406 -4.179 1.00 1.63 N ATOM 1427 CA THR B 2 166.218 -4.943 -2.783 1.00 1.44 C ATOM 1428 C THR B 2 165.366 -4.045 -1.884 1.00 1.17 C ATOM 1429 O THR B 2 165.718 -2.917 -1.604 1.00 1.22 O ATOM 1430 CB THR B 2 167.653 -4.962 -2.255 1.00 2.22 C ATOM 1431 OG1 THR B 2 168.102 -3.628 -2.070 1.00 2.78 O ATOM 1432 CG2 THR B 2 168.561 -5.677 -3.256 1.00 3.02 C ATOM 0 H THR B 2 166.935 -3.727 -4.389 1.00 1.63 H new ATOM 0 HA THR B 2 165.815 -5.956 -2.783 1.00 1.44 H new ATOM 0 HB THR B 2 167.684 -5.492 -1.303 1.00 2.22 H new ATOM 0 HG1 THR B 2 167.362 -3.008 -2.238 1.00 2.78 H new ATOM 0 HG21 THR B 2 169.583 -5.689 -2.877 1.00 3.02 H new ATOM 0 HG22 THR B 2 168.214 -6.701 -3.395 1.00 3.02 H new ATOM 0 HG23 THR B 2 168.535 -5.152 -4.211 1.00 3.02 H new ATOM 1440 N THR B 3 164.248 -4.538 -1.426 1.00 0.96 N ATOM 1441 CA THR B 3 163.375 -3.719 -0.540 1.00 0.76 C ATOM 1442 C THR B 3 163.839 -3.868 0.909 1.00 0.69 C ATOM 1443 O THR B 3 164.584 -4.768 1.244 1.00 0.75 O ATOM 1444 CB THR B 3 161.928 -4.203 -0.672 1.00 0.69 C ATOM 1445 OG1 THR B 3 161.805 -5.485 -0.074 1.00 0.80 O ATOM 1446 CG2 THR B 3 161.555 -4.290 -2.154 1.00 0.76 C ATOM 0 H THR B 3 163.901 -5.476 -1.628 1.00 0.96 H new ATOM 0 HA THR B 3 163.435 -2.670 -0.830 1.00 0.76 H new ATOM 0 HB THR B 3 161.260 -3.503 -0.171 1.00 0.69 H new ATOM 0 HG1 THR B 3 161.221 -6.048 -0.624 1.00 0.80 H new ATOM 0 HG21 THR B 3 160.525 -4.634 -2.250 1.00 0.76 H new ATOM 0 HG22 THR B 3 161.653 -3.306 -2.612 1.00 0.76 H new ATOM 0 HG23 THR B 3 162.221 -4.992 -2.656 1.00 0.76 H new ATOM 1454 N SER B 4 163.405 -2.993 1.774 1.00 0.63 N ATOM 1455 CA SER B 4 163.819 -3.088 3.201 1.00 0.62 C ATOM 1456 C SER B 4 162.992 -4.175 3.891 1.00 0.60 C ATOM 1457 O SER B 4 162.054 -4.711 3.336 1.00 0.58 O ATOM 1458 CB SER B 4 163.586 -1.745 3.896 1.00 0.63 C ATOM 1459 OG SER B 4 164.368 -0.745 3.257 1.00 1.50 O ATOM 0 H SER B 4 162.781 -2.216 1.554 1.00 0.63 H new ATOM 0 HA SER B 4 164.878 -3.340 3.259 1.00 0.62 H new ATOM 0 HB2 SER B 4 162.530 -1.479 3.854 1.00 0.63 H new ATOM 0 HB3 SER B 4 163.856 -1.816 4.950 1.00 0.63 H new ATOM 0 HG SER B 4 164.220 0.117 3.698 1.00 1.50 H new ATOM 1465 N GLN B 5 163.357 -4.513 5.097 1.00 0.63 N ATOM 1466 CA GLN B 5 162.632 -5.582 5.842 1.00 0.64 C ATOM 1467 C GLN B 5 161.164 -5.193 6.022 1.00 0.60 C ATOM 1468 O GLN B 5 160.301 -6.042 6.120 1.00 0.60 O ATOM 1469 CB GLN B 5 163.270 -5.757 7.223 1.00 0.71 C ATOM 1470 CG GLN B 5 164.666 -6.359 7.069 1.00 1.34 C ATOM 1471 CD GLN B 5 165.311 -6.507 8.448 1.00 1.59 C ATOM 1472 OE1 GLN B 5 164.870 -5.899 9.406 1.00 2.09 O ATOM 1473 NE2 GLN B 5 166.344 -7.289 8.593 1.00 2.18 N ATOM 0 H GLN B 5 164.135 -4.090 5.604 1.00 0.63 H new ATOM 0 HA GLN B 5 162.694 -6.512 5.278 1.00 0.64 H new ATOM 0 HB2 GLN B 5 163.332 -4.795 7.731 1.00 0.71 H new ATOM 0 HB3 GLN B 5 162.650 -6.405 7.842 1.00 0.71 H new ATOM 0 HG2 GLN B 5 164.603 -7.331 6.579 1.00 1.34 H new ATOM 0 HG3 GLN B 5 165.281 -5.721 6.434 1.00 1.34 H new ATOM 0 HE21 GLN B 5 166.714 -7.799 7.791 1.00 2.18 H new ATOM 0 HE22 GLN B 5 166.782 -7.391 9.509 1.00 2.18 H new ATOM 1482 N LYS B 6 160.869 -3.923 6.069 1.00 0.59 N ATOM 1483 CA LYS B 6 159.458 -3.490 6.251 1.00 0.57 C ATOM 1484 C LYS B 6 158.608 -4.009 5.092 1.00 0.51 C ATOM 1485 O LYS B 6 157.475 -4.411 5.272 1.00 0.50 O ATOM 1486 CB LYS B 6 159.403 -1.963 6.272 1.00 0.58 C ATOM 1487 CG LYS B 6 160.052 -1.454 7.558 1.00 0.66 C ATOM 1488 CD LYS B 6 160.002 0.073 7.587 1.00 0.80 C ATOM 1489 CE LYS B 6 160.653 0.576 8.877 1.00 1.25 C ATOM 1490 NZ LYS B 6 160.318 2.012 9.075 1.00 2.01 N ATOM 0 H LYS B 6 161.547 -3.166 5.989 1.00 0.59 H new ATOM 0 HA LYS B 6 159.072 -3.889 7.189 1.00 0.57 H new ATOM 0 HB2 LYS B 6 159.921 -1.557 5.404 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.369 -1.624 6.214 1.00 0.58 H new ATOM 0 HG2 LYS B 6 159.533 -1.862 8.425 1.00 0.66 H new ATOM 0 HG3 LYS B 6 161.086 -1.795 7.616 1.00 0.66 H new ATOM 0 HD2 LYS B 6 160.522 0.482 6.720 1.00 0.80 H new ATOM 0 HD3 LYS B 6 158.969 0.416 7.530 1.00 0.80 H new ATOM 0 HE2 LYS B 6 160.303 -0.011 9.726 1.00 1.25 H new ATOM 0 HE3 LYS B 6 161.734 0.448 8.825 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 160.760 2.354 9.952 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 160.673 2.566 8.269 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 159.286 2.122 9.142 1.00 2.01 H new ATOM 1504 N HIS B 7 159.133 -3.981 3.903 1.00 0.49 N ATOM 1505 CA HIS B 7 158.339 -4.449 2.735 1.00 0.45 C ATOM 1506 C HIS B 7 157.931 -5.916 2.912 1.00 0.45 C ATOM 1507 O HIS B 7 156.774 -6.258 2.778 1.00 0.43 O ATOM 1508 CB HIS B 7 159.175 -4.287 1.461 1.00 0.45 C ATOM 1509 CG HIS B 7 158.458 -4.902 0.290 1.00 0.42 C ATOM 1510 ND1 HIS B 7 157.586 -4.182 -0.515 1.00 0.39 N ATOM 1511 CD2 HIS B 7 158.477 -6.175 -0.223 1.00 0.45 C ATOM 1512 CE1 HIS B 7 157.122 -5.021 -1.459 1.00 0.38 C ATOM 1513 NE2 HIS B 7 157.633 -6.244 -1.324 1.00 0.42 N ATOM 0 H HIS B 7 160.075 -3.655 3.688 1.00 0.49 H new ATOM 0 HA HIS B 7 157.432 -3.850 2.658 1.00 0.45 H new ATOM 0 HB2 HIS B 7 159.360 -3.230 1.270 1.00 0.45 H new ATOM 0 HB3 HIS B 7 160.147 -4.762 1.592 1.00 0.45 H new ATOM 0 HD2 HIS B 7 159.059 -6.996 0.169 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.422 -4.738 -2.231 1.00 0.38 H new ATOM 0 HE2 HIS B 7 157.444 -7.060 -1.907 1.00 0.42 H new ATOM 1521 N ARG B 8 158.864 -6.793 3.210 1.00 0.48 N ATOM 1522 CA ARG B 8 158.518 -8.233 3.395 1.00 0.50 C ATOM 1523 C ARG B 8 157.716 -8.413 4.685 1.00 0.51 C ATOM 1524 O ARG B 8 156.845 -9.254 4.779 1.00 0.51 O ATOM 1525 CB ARG B 8 159.809 -9.060 3.497 1.00 0.55 C ATOM 1526 CG ARG B 8 160.625 -8.973 2.197 1.00 0.57 C ATOM 1527 CD ARG B 8 160.090 -9.962 1.151 1.00 1.00 C ATOM 1528 NE ARG B 8 160.346 -11.359 1.604 1.00 1.70 N ATOM 1529 CZ ARG B 8 159.723 -12.352 1.031 1.00 2.29 C ATOM 1530 NH1 ARG B 8 158.868 -12.117 0.074 1.00 2.43 N ATOM 1531 NH2 ARG B 8 159.951 -13.577 1.417 1.00 3.23 N ATOM 0 H ARG B 8 159.851 -6.568 3.332 1.00 0.48 H new ATOM 0 HA ARG B 8 157.925 -8.568 2.544 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.410 -8.700 4.332 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.562 -10.101 3.706 1.00 0.55 H new ATOM 0 HG2 ARG B 8 160.580 -7.958 1.801 1.00 0.57 H new ATOM 0 HG3 ARG B 8 161.673 -9.188 2.405 1.00 0.57 H new ATOM 0 HD2 ARG B 8 159.021 -9.807 1.003 1.00 1.00 H new ATOM 0 HD3 ARG B 8 160.573 -9.787 0.190 1.00 1.00 H new ATOM 0 HE ARG B 8 161.007 -11.538 2.360 1.00 1.70 H new ATOM 0 HH11 ARG B 8 158.688 -11.159 -0.225 1.00 2.43 H new ATOM 0 HH12 ARG B 8 158.380 -12.892 -0.375 1.00 2.43 H new ATOM 0 HH21 ARG B 8 160.617 -13.760 2.168 1.00 3.23 H new ATOM 0 HH22 ARG B 8 159.463 -14.352 0.968 1.00 3.23 H new ATOM 1545 N ASP B 9 158.013 -7.633 5.680 1.00 0.52 N ATOM 1546 CA ASP B 9 157.280 -7.762 6.969 1.00 0.54 C ATOM 1547 C ASP B 9 155.833 -7.301 6.790 1.00 0.49 C ATOM 1548 O ASP B 9 154.915 -7.876 7.342 1.00 0.48 O ATOM 1549 CB ASP B 9 157.955 -6.907 8.041 1.00 0.61 C ATOM 1550 CG ASP B 9 159.303 -7.528 8.415 1.00 0.68 C ATOM 1551 OD1 ASP B 9 159.478 -8.710 8.165 1.00 0.67 O ATOM 1552 OD2 ASP B 9 160.135 -6.811 8.943 1.00 0.76 O ATOM 0 H ASP B 9 158.732 -6.910 5.659 1.00 0.52 H new ATOM 0 HA ASP B 9 157.293 -8.807 7.280 1.00 0.54 H new ATOM 0 HB2 ASP B 9 158.100 -5.891 7.673 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.317 -6.839 8.922 1.00 0.61 H new ATOM 1557 N PHE B 10 155.626 -6.258 6.039 1.00 0.46 N ATOM 1558 CA PHE B 10 154.240 -5.747 5.843 1.00 0.43 C ATOM 1559 C PHE B 10 153.396 -6.785 5.089 1.00 0.37 C ATOM 1560 O PHE B 10 152.272 -7.066 5.456 1.00 0.36 O ATOM 1561 CB PHE B 10 154.310 -4.450 5.030 1.00 0.45 C ATOM 1562 CG PHE B 10 152.961 -3.770 5.017 1.00 0.43 C ATOM 1563 CD1 PHE B 10 152.022 -4.084 4.027 1.00 0.43 C ATOM 1564 CD2 PHE B 10 152.653 -2.817 5.995 1.00 0.44 C ATOM 1565 CE1 PHE B 10 150.777 -3.446 4.018 1.00 0.43 C ATOM 1566 CE2 PHE B 10 151.408 -2.178 5.985 1.00 0.44 C ATOM 1567 CZ PHE B 10 150.470 -2.492 4.997 1.00 0.43 C ATOM 0 H PHE B 10 156.355 -5.736 5.552 1.00 0.46 H new ATOM 0 HA PHE B 10 153.776 -5.559 6.811 1.00 0.43 H new ATOM 0 HB2 PHE B 10 155.058 -3.783 5.459 1.00 0.45 H new ATOM 0 HB3 PHE B 10 154.625 -4.668 4.010 1.00 0.45 H new ATOM 0 HD1 PHE B 10 152.259 -4.818 3.271 1.00 0.43 H new ATOM 0 HD2 PHE B 10 153.377 -2.574 6.758 1.00 0.44 H new ATOM 0 HE1 PHE B 10 150.052 -3.689 3.256 1.00 0.43 H new ATOM 0 HE2 PHE B 10 151.172 -1.443 6.740 1.00 0.44 H new ATOM 0 HZ PHE B 10 149.509 -1.999 4.988 1.00 0.43 H new ATOM 1577 N VAL B 11 153.923 -7.347 4.030 1.00 0.37 N ATOM 1578 CA VAL B 11 153.148 -8.355 3.241 1.00 0.35 C ATOM 1579 C VAL B 11 153.320 -9.761 3.836 1.00 0.36 C ATOM 1580 O VAL B 11 152.875 -10.737 3.265 1.00 0.37 O ATOM 1581 CB VAL B 11 153.651 -8.346 1.796 1.00 0.37 C ATOM 1582 CG1 VAL B 11 153.556 -6.927 1.234 1.00 0.44 C ATOM 1583 CG2 VAL B 11 155.104 -8.808 1.764 1.00 0.40 C ATOM 0 H VAL B 11 154.859 -7.151 3.676 1.00 0.37 H new ATOM 0 HA VAL B 11 152.090 -8.095 3.274 1.00 0.35 H new ATOM 0 HB VAL B 11 153.041 -9.018 1.192 1.00 0.37 H new ATOM 0 HG11 VAL B 11 153.914 -6.919 0.205 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.518 -6.594 1.260 1.00 0.44 H new ATOM 0 HG13 VAL B 11 154.168 -6.255 1.836 1.00 0.44 H new ATOM 0 HG21 VAL B 11 155.465 -8.803 0.736 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.713 -8.134 2.366 1.00 0.40 H new ATOM 0 HG23 VAL B 11 155.174 -9.818 2.168 1.00 0.40 H new ATOM 1593 N ALA B 12 153.940 -9.871 4.984 1.00 0.41 N ATOM 1594 CA ALA B 12 154.123 -11.214 5.629 1.00 0.47 C ATOM 1595 C ALA B 12 153.117 -11.386 6.769 1.00 0.45 C ATOM 1596 O ALA B 12 152.916 -12.474 7.268 1.00 0.48 O ATOM 1597 CB ALA B 12 155.540 -11.322 6.196 1.00 0.53 C ATOM 0 H ALA B 12 154.330 -9.087 5.507 1.00 0.41 H new ATOM 0 HA ALA B 12 153.963 -11.990 4.881 1.00 0.47 H new ATOM 0 HB1 ALA B 12 155.671 -12.298 6.664 1.00 0.53 H new ATOM 0 HB2 ALA B 12 156.264 -11.206 5.390 1.00 0.53 H new ATOM 0 HB3 ALA B 12 155.695 -10.540 6.939 1.00 0.53 H new ATOM 1603 N GLU B 13 152.480 -10.324 7.184 1.00 0.42 N ATOM 1604 CA GLU B 13 151.483 -10.431 8.292 1.00 0.43 C ATOM 1605 C GLU B 13 150.468 -9.288 8.162 1.00 0.39 C ATOM 1606 O GLU B 13 150.788 -8.245 7.630 1.00 0.36 O ATOM 1607 CB GLU B 13 152.212 -10.317 9.634 1.00 0.46 C ATOM 1608 CG GLU B 13 153.251 -9.197 9.557 1.00 0.48 C ATOM 1609 CD GLU B 13 153.800 -8.914 10.956 1.00 0.62 C ATOM 1610 OE1 GLU B 13 154.731 -9.595 11.353 1.00 1.27 O ATOM 1611 OE2 GLU B 13 153.281 -8.020 11.606 1.00 1.04 O ATOM 0 H GLU B 13 152.606 -9.386 6.804 1.00 0.42 H new ATOM 0 HA GLU B 13 150.965 -11.389 8.238 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.498 -10.111 10.431 1.00 0.46 H new ATOM 0 HB3 GLU B 13 152.698 -11.262 9.877 1.00 0.46 H new ATOM 0 HG2 GLU B 13 154.062 -9.484 8.888 1.00 0.48 H new ATOM 0 HG3 GLU B 13 152.800 -8.296 9.143 1.00 0.48 H new ATOM 1618 N PRO B 14 149.260 -9.461 8.650 1.00 0.42 N ATOM 1619 CA PRO B 14 148.221 -8.398 8.582 1.00 0.40 C ATOM 1620 C PRO B 14 148.820 -7.004 8.804 1.00 0.36 C ATOM 1621 O PRO B 14 149.870 -6.858 9.397 1.00 0.36 O ATOM 1622 CB PRO B 14 147.269 -8.774 9.718 1.00 0.45 C ATOM 1623 CG PRO B 14 147.331 -10.271 9.784 1.00 0.49 C ATOM 1624 CD PRO B 14 148.742 -10.676 9.312 1.00 0.48 C ATOM 0 HA PRO B 14 147.734 -8.345 7.608 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.579 -8.323 10.661 1.00 0.45 H new ATOM 0 HB3 PRO B 14 146.255 -8.428 9.517 1.00 0.45 H new ATOM 0 HG2 PRO B 14 147.147 -10.622 10.799 1.00 0.49 H new ATOM 0 HG3 PRO B 14 146.567 -10.719 9.149 1.00 0.49 H new ATOM 0 HD2 PRO B 14 149.373 -10.974 10.150 1.00 0.48 H new ATOM 0 HD3 PRO B 14 148.706 -11.521 8.624 1.00 0.48 H new ATOM 1632 N MET B 15 148.170 -5.981 8.321 1.00 0.35 N ATOM 1633 CA MET B 15 148.710 -4.595 8.490 1.00 0.34 C ATOM 1634 C MET B 15 148.121 -3.945 9.748 1.00 0.35 C ATOM 1635 O MET B 15 148.737 -3.100 10.368 1.00 0.37 O ATOM 1636 CB MET B 15 148.370 -3.753 7.252 1.00 0.36 C ATOM 1637 CG MET B 15 146.868 -3.825 6.953 1.00 0.40 C ATOM 1638 SD MET B 15 146.561 -3.228 5.270 1.00 0.56 S ATOM 1639 CE MET B 15 146.474 -1.461 5.653 1.00 0.42 C ATOM 0 H MET B 15 147.286 -6.042 7.815 1.00 0.35 H new ATOM 0 HA MET B 15 149.793 -4.647 8.601 1.00 0.34 H new ATOM 0 HB2 MET B 15 148.665 -2.717 7.417 1.00 0.36 H new ATOM 0 HB3 MET B 15 148.936 -4.113 6.393 1.00 0.36 H new ATOM 0 HG2 MET B 15 146.514 -4.851 7.057 1.00 0.40 H new ATOM 0 HG3 MET B 15 146.313 -3.222 7.672 1.00 0.40 H new ATOM 0 HE1 MET B 15 146.993 -0.895 4.879 1.00 0.42 H new ATOM 0 HE2 MET B 15 145.431 -1.148 5.693 1.00 0.42 H new ATOM 0 HE3 MET B 15 146.946 -1.274 6.618 1.00 0.42 H new ATOM 1649 N GLY B 16 146.937 -4.339 10.135 1.00 0.36 N ATOM 1650 CA GLY B 16 146.312 -3.755 11.359 1.00 0.39 C ATOM 1651 C GLY B 16 146.298 -2.227 11.274 1.00 0.38 C ATOM 1652 O GLY B 16 145.914 -1.652 10.274 1.00 0.37 O ATOM 0 H GLY B 16 146.374 -5.042 9.656 1.00 0.36 H new ATOM 0 HA2 GLY B 16 145.294 -4.129 11.469 1.00 0.39 H new ATOM 0 HA3 GLY B 16 146.865 -4.071 12.244 1.00 0.39 H new ATOM 1656 N GLU B 17 146.699 -1.568 12.334 1.00 0.40 N ATOM 1657 CA GLU B 17 146.699 -0.070 12.366 1.00 0.41 C ATOM 1658 C GLU B 17 148.133 0.460 12.398 1.00 0.38 C ATOM 1659 O GLU B 17 148.420 1.453 13.039 1.00 0.39 O ATOM 1660 CB GLU B 17 145.956 0.401 13.619 1.00 0.46 C ATOM 1661 CG GLU B 17 144.463 0.102 13.466 1.00 0.50 C ATOM 1662 CD GLU B 17 143.717 0.552 14.724 1.00 0.55 C ATOM 1663 OE1 GLU B 17 144.378 0.883 15.694 1.00 0.73 O ATOM 1664 OE2 GLU B 17 142.498 0.557 14.696 1.00 0.84 O ATOM 0 H GLU B 17 147.031 -2.010 13.191 1.00 0.40 H new ATOM 0 HA GLU B 17 146.204 0.308 11.471 1.00 0.41 H new ATOM 0 HB2 GLU B 17 146.351 -0.104 14.501 1.00 0.46 H new ATOM 0 HB3 GLU B 17 146.111 1.470 13.767 1.00 0.46 H new ATOM 0 HG2 GLU B 17 144.066 0.618 12.592 1.00 0.50 H new ATOM 0 HG3 GLU B 17 144.310 -0.965 13.303 1.00 0.50 H new ATOM 1671 N LYS B 18 149.043 -0.186 11.720 1.00 0.36 N ATOM 1672 CA LYS B 18 150.453 0.294 11.726 1.00 0.35 C ATOM 1673 C LYS B 18 150.474 1.738 11.202 1.00 0.31 C ATOM 1674 O LYS B 18 149.634 2.120 10.413 1.00 0.30 O ATOM 1675 CB LYS B 18 151.288 -0.601 10.801 1.00 0.35 C ATOM 1676 CG LYS B 18 151.560 -1.962 11.475 1.00 0.45 C ATOM 1677 CD LYS B 18 152.850 -1.897 12.317 1.00 1.16 C ATOM 1678 CE LYS B 18 154.086 -1.722 11.409 1.00 1.44 C ATOM 1679 NZ LYS B 18 155.226 -2.493 11.978 1.00 2.02 N ATOM 0 H LYS B 18 148.871 -1.023 11.164 1.00 0.36 H new ATOM 0 HA LYS B 18 150.866 0.258 12.734 1.00 0.35 H new ATOM 0 HB2 LYS B 18 150.762 -0.753 9.859 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.232 -0.110 10.564 1.00 0.35 H new ATOM 0 HG2 LYS B 18 150.717 -2.235 12.110 1.00 0.45 H new ATOM 0 HG3 LYS B 18 151.652 -2.739 10.716 1.00 0.45 H new ATOM 0 HD2 LYS B 18 152.789 -1.067 13.021 1.00 1.16 H new ATOM 0 HD3 LYS B 18 152.952 -2.808 12.907 1.00 1.16 H new ATOM 0 HE2 LYS B 18 153.863 -2.071 10.401 1.00 1.44 H new ATOM 0 HE3 LYS B 18 154.348 -0.667 11.331 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 156.061 -2.378 11.369 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 155.442 -2.140 12.932 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 154.972 -3.500 12.031 1.00 2.02 H new ATOM 1693 N PRO B 19 151.407 2.547 11.651 1.00 0.31 N ATOM 1694 CA PRO B 19 151.493 3.975 11.225 1.00 0.29 C ATOM 1695 C PRO B 19 151.732 4.125 9.721 1.00 0.25 C ATOM 1696 O PRO B 19 152.258 3.247 9.069 1.00 0.23 O ATOM 1697 CB PRO B 19 152.671 4.546 12.040 1.00 0.32 C ATOM 1698 CG PRO B 19 153.470 3.355 12.471 1.00 0.32 C ATOM 1699 CD PRO B 19 152.478 2.198 12.601 1.00 0.34 C ATOM 0 HA PRO B 19 150.558 4.504 11.408 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.273 5.226 11.437 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.315 5.113 12.900 1.00 0.32 H new ATOM 0 HG2 PRO B 19 154.246 3.122 11.741 1.00 0.32 H new ATOM 0 HG3 PRO B 19 153.972 3.546 13.420 1.00 0.32 H new ATOM 0 HD2 PRO B 19 152.941 1.244 12.350 1.00 0.34 H new ATOM 0 HD3 PRO B 19 152.097 2.109 13.619 1.00 0.34 H new ATOM 1707 N VAL B 20 151.338 5.239 9.177 1.00 0.24 N ATOM 1708 CA VAL B 20 151.518 5.477 7.722 1.00 0.22 C ATOM 1709 C VAL B 20 152.996 5.349 7.336 1.00 0.21 C ATOM 1710 O VAL B 20 153.346 4.725 6.353 1.00 0.22 O ATOM 1711 CB VAL B 20 150.992 6.880 7.376 1.00 0.26 C ATOM 1712 CG1 VAL B 20 151.621 7.930 8.303 1.00 0.32 C ATOM 1713 CG2 VAL B 20 151.339 7.216 5.922 1.00 0.28 C ATOM 0 H VAL B 20 150.894 6.004 9.685 1.00 0.24 H new ATOM 0 HA VAL B 20 150.958 4.730 7.160 1.00 0.22 H new ATOM 0 HB VAL B 20 149.910 6.890 7.509 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.239 8.918 8.046 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.367 7.701 9.338 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.704 7.918 8.184 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.965 8.211 5.679 1.00 0.28 H new ATOM 0 HG22 VAL B 20 152.421 7.193 5.792 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.878 6.484 5.259 1.00 0.28 H new ATOM 1723 N GLY B 21 153.863 5.963 8.099 1.00 0.22 N ATOM 1724 CA GLY B 21 155.322 5.919 7.790 1.00 0.21 C ATOM 1725 C GLY B 21 155.827 4.473 7.695 1.00 0.19 C ATOM 1726 O GLY B 21 156.969 4.239 7.350 1.00 0.19 O ATOM 0 H GLY B 21 153.619 6.499 8.932 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.513 6.436 6.849 1.00 0.21 H new ATOM 0 HA3 GLY B 21 155.876 6.450 8.564 1.00 0.21 H new ATOM 1730 N SER B 22 155.007 3.497 7.984 1.00 0.20 N ATOM 1731 CA SER B 22 155.484 2.081 7.888 1.00 0.20 C ATOM 1732 C SER B 22 155.349 1.595 6.443 1.00 0.19 C ATOM 1733 O SER B 22 155.983 0.641 6.037 1.00 0.20 O ATOM 1734 CB SER B 22 154.645 1.189 8.802 1.00 0.23 C ATOM 1735 OG SER B 22 154.921 1.517 10.157 1.00 1.24 O ATOM 0 H SER B 22 154.038 3.614 8.279 1.00 0.20 H new ATOM 0 HA SER B 22 156.528 2.032 8.196 1.00 0.20 H new ATOM 0 HB2 SER B 22 153.585 1.327 8.591 1.00 0.23 H new ATOM 0 HB3 SER B 22 154.874 0.140 8.616 1.00 0.23 H new ATOM 0 HG SER B 22 155.472 2.327 10.192 1.00 1.24 H new ATOM 1741 N LEU B 23 154.524 2.239 5.664 1.00 0.18 N ATOM 1742 CA LEU B 23 154.349 1.809 4.247 1.00 0.18 C ATOM 1743 C LEU B 23 155.679 1.949 3.511 1.00 0.18 C ATOM 1744 O LEU B 23 156.363 2.948 3.616 1.00 0.18 O ATOM 1745 CB LEU B 23 153.301 2.698 3.575 1.00 0.19 C ATOM 1746 CG LEU B 23 151.936 2.494 4.253 1.00 0.21 C ATOM 1747 CD1 LEU B 23 150.952 3.556 3.752 1.00 0.23 C ATOM 1748 CD2 LEU B 23 151.382 1.089 3.935 1.00 0.24 C ATOM 0 H LEU B 23 153.964 3.043 5.946 1.00 0.18 H new ATOM 0 HA LEU B 23 154.021 0.770 4.216 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.599 3.744 3.644 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.231 2.456 2.515 1.00 0.19 H new ATOM 0 HG LEU B 23 152.062 2.588 5.332 1.00 0.21 H new ATOM 0 HD11 LEU B 23 149.984 3.411 4.233 1.00 0.23 H new ATOM 0 HD12 LEU B 23 151.333 4.548 3.994 1.00 0.23 H new ATOM 0 HD13 LEU B 23 150.838 3.465 2.672 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.415 0.960 4.422 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.262 0.980 2.857 1.00 0.24 H new ATOM 0 HD23 LEU B 23 152.076 0.333 4.301 1.00 0.24 H new ATOM 1760 N ALA B 24 156.047 0.950 2.768 1.00 0.18 N ATOM 1761 CA ALA B 24 157.332 1.022 2.026 1.00 0.19 C ATOM 1762 C ALA B 24 157.268 2.147 0.991 1.00 0.19 C ATOM 1763 O ALA B 24 156.311 2.288 0.259 1.00 0.20 O ATOM 1764 CB ALA B 24 157.591 -0.308 1.319 1.00 0.21 C ATOM 0 H ALA B 24 155.516 0.088 2.641 1.00 0.18 H new ATOM 0 HA ALA B 24 158.141 1.223 2.728 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.534 -0.253 0.775 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.644 -1.108 2.057 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.780 -0.512 0.620 1.00 0.21 H new ATOM 1770 N GLY B 25 158.293 2.949 0.944 1.00 0.20 N ATOM 1771 CA GLY B 25 158.328 4.087 -0.026 1.00 0.21 C ATOM 1772 C GLY B 25 157.917 5.375 0.692 1.00 0.20 C ATOM 1773 O GLY B 25 158.232 6.464 0.257 1.00 0.22 O ATOM 0 H GLY B 25 159.117 2.867 1.540 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.329 4.193 -0.444 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.654 3.890 -0.860 1.00 0.21 H new ATOM 1777 N ILE B 26 157.229 5.257 1.799 1.00 0.20 N ATOM 1778 CA ILE B 26 156.806 6.474 2.560 1.00 0.21 C ATOM 1779 C ILE B 26 157.785 6.686 3.710 1.00 0.23 C ATOM 1780 O ILE B 26 157.832 5.906 4.640 1.00 0.25 O ATOM 1781 CB ILE B 26 155.401 6.261 3.133 1.00 0.22 C ATOM 1782 CG1 ILE B 26 154.425 5.869 2.013 1.00 0.22 C ATOM 1783 CG2 ILE B 26 154.918 7.549 3.801 1.00 0.24 C ATOM 1784 CD1 ILE B 26 154.515 6.864 0.849 1.00 0.24 C ATOM 0 H ILE B 26 156.941 4.369 2.210 1.00 0.20 H new ATOM 0 HA ILE B 26 156.798 7.341 1.900 1.00 0.21 H new ATOM 0 HB ILE B 26 155.439 5.458 3.869 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.654 4.864 1.658 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.407 5.846 2.401 1.00 0.22 H new ATOM 0 HG21 ILE B 26 153.919 7.395 4.208 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.600 7.819 4.607 1.00 0.24 H new ATOM 0 HG23 ILE B 26 154.890 8.352 3.065 1.00 0.24 H new ATOM 0 HD11 ILE B 26 153.817 6.571 0.065 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.263 7.863 1.204 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.529 6.866 0.450 1.00 0.24 H new ATOM 1796 N GLY B 27 158.565 7.736 3.675 1.00 0.24 N ATOM 1797 CA GLY B 27 159.530 7.989 4.783 1.00 0.27 C ATOM 1798 C GLY B 27 158.906 8.969 5.779 1.00 0.28 C ATOM 1799 O GLY B 27 157.776 9.390 5.626 1.00 0.27 O ATOM 0 H GLY B 27 158.574 8.428 2.926 1.00 0.24 H new ATOM 0 HA2 GLY B 27 159.781 7.054 5.283 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.459 8.398 4.386 1.00 0.27 H new ATOM 1803 N GLU B 28 159.627 9.319 6.803 1.00 0.30 N ATOM 1804 CA GLU B 28 159.073 10.257 7.819 1.00 0.32 C ATOM 1805 C GLU B 28 158.675 11.587 7.169 1.00 0.32 C ATOM 1806 O GLU B 28 157.660 12.164 7.504 1.00 0.35 O ATOM 1807 CB GLU B 28 160.128 10.505 8.897 1.00 0.36 C ATOM 1808 CG GLU B 28 160.310 9.232 9.724 1.00 0.39 C ATOM 1809 CD GLU B 28 161.370 9.470 10.800 1.00 1.27 C ATOM 1810 OE1 GLU B 28 162.027 10.496 10.742 1.00 2.00 O ATOM 1811 OE2 GLU B 28 161.509 8.619 11.663 1.00 1.64 O ATOM 0 H GLU B 28 160.578 8.997 6.983 1.00 0.30 H new ATOM 0 HA GLU B 28 158.183 9.813 8.264 1.00 0.32 H new ATOM 0 HB2 GLU B 28 161.074 10.793 8.438 1.00 0.36 H new ATOM 0 HB3 GLU B 28 159.821 11.330 9.540 1.00 0.36 H new ATOM 0 HG2 GLU B 28 159.365 8.948 10.186 1.00 0.39 H new ATOM 0 HG3 GLU B 28 160.610 8.406 9.079 1.00 0.39 H new ATOM 1818 N VAL B 29 159.454 12.090 6.249 1.00 0.31 N ATOM 1819 CA VAL B 29 159.083 13.387 5.611 1.00 0.33 C ATOM 1820 C VAL B 29 157.814 13.194 4.781 1.00 0.33 C ATOM 1821 O VAL B 29 156.888 13.980 4.847 1.00 0.35 O ATOM 1822 CB VAL B 29 160.222 13.870 4.702 1.00 0.34 C ATOM 1823 CG1 VAL B 29 159.753 15.076 3.878 1.00 0.38 C ATOM 1824 CG2 VAL B 29 161.425 14.276 5.556 1.00 0.35 C ATOM 0 H VAL B 29 160.320 11.666 5.915 1.00 0.31 H new ATOM 0 HA VAL B 29 158.907 14.133 6.386 1.00 0.33 H new ATOM 0 HB VAL B 29 160.509 13.062 4.029 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.565 15.415 3.235 1.00 0.38 H new ATOM 0 HG12 VAL B 29 158.900 14.788 3.264 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.461 15.884 4.549 1.00 0.38 H new ATOM 0 HG21 VAL B 29 162.232 14.618 4.908 1.00 0.35 H new ATOM 0 HG22 VAL B 29 161.136 15.081 6.232 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.765 13.419 6.137 1.00 0.35 H new ATOM 1834 N LEU B 30 157.766 12.155 3.996 1.00 0.32 N ATOM 1835 CA LEU B 30 156.564 11.905 3.155 1.00 0.33 C ATOM 1836 C LEU B 30 155.377 11.564 4.050 1.00 0.32 C ATOM 1837 O LEU B 30 154.261 11.978 3.808 1.00 0.33 O ATOM 1838 CB LEU B 30 156.835 10.730 2.212 1.00 0.33 C ATOM 1839 CG LEU B 30 157.968 11.075 1.238 1.00 0.35 C ATOM 1840 CD1 LEU B 30 158.294 9.836 0.399 1.00 0.36 C ATOM 1841 CD2 LEU B 30 157.545 12.232 0.312 1.00 0.40 C ATOM 0 H LEU B 30 158.511 11.465 3.901 1.00 0.32 H new ATOM 0 HA LEU B 30 156.340 12.799 2.573 1.00 0.33 H new ATOM 0 HB2 LEU B 30 157.101 9.845 2.791 1.00 0.33 H new ATOM 0 HB3 LEU B 30 155.930 10.486 1.655 1.00 0.33 H new ATOM 0 HG LEU B 30 158.847 11.386 1.802 1.00 0.35 H new ATOM 0 HD11 LEU B 30 159.099 10.070 -0.298 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.607 9.024 1.055 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.409 9.531 -0.159 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.359 12.466 -0.374 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.664 11.938 -0.258 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.312 13.112 0.912 1.00 0.40 H new ATOM 1853 N GLY B 31 155.609 10.798 5.076 1.00 0.33 N ATOM 1854 CA GLY B 31 154.493 10.416 5.982 1.00 0.34 C ATOM 1855 C GLY B 31 153.871 11.670 6.596 1.00 0.35 C ATOM 1856 O GLY B 31 152.670 11.775 6.722 1.00 0.36 O ATOM 0 H GLY B 31 156.522 10.420 5.327 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.738 9.858 5.428 1.00 0.34 H new ATOM 0 HA3 GLY B 31 154.861 9.759 6.770 1.00 0.34 H new ATOM 1860 N LYS B 32 154.674 12.627 6.975 1.00 0.35 N ATOM 1861 CA LYS B 32 154.115 13.869 7.584 1.00 0.37 C ATOM 1862 C LYS B 32 153.193 14.578 6.587 1.00 0.37 C ATOM 1863 O LYS B 32 152.176 15.123 6.964 1.00 0.38 O ATOM 1864 CB LYS B 32 155.260 14.809 7.981 1.00 0.40 C ATOM 1865 CG LYS B 32 156.037 14.236 9.179 1.00 1.18 C ATOM 1866 CD LYS B 32 155.288 14.518 10.492 1.00 1.36 C ATOM 1867 CE LYS B 32 156.181 14.155 11.680 1.00 2.07 C ATOM 1868 NZ LYS B 32 156.306 12.674 11.769 1.00 2.75 N ATOM 0 H LYS B 32 155.690 12.603 6.890 1.00 0.35 H new ATOM 0 HA LYS B 32 153.540 13.600 8.470 1.00 0.37 H new ATOM 0 HB2 LYS B 32 155.934 14.948 7.136 1.00 0.40 H new ATOM 0 HB3 LYS B 32 154.861 15.791 8.235 1.00 0.40 H new ATOM 0 HG2 LYS B 32 156.170 13.162 9.053 1.00 1.18 H new ATOM 0 HG3 LYS B 32 157.033 14.678 9.219 1.00 1.18 H new ATOM 0 HD2 LYS B 32 155.007 15.570 10.543 1.00 1.36 H new ATOM 0 HD3 LYS B 32 154.365 13.939 10.528 1.00 1.36 H new ATOM 0 HE2 LYS B 32 157.165 14.608 11.561 1.00 2.07 H new ATOM 0 HE3 LYS B 32 155.757 14.552 12.603 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 156.827 12.421 12.633 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 155.358 12.247 11.799 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 156.820 12.318 10.938 1.00 2.75 H new ATOM 1882 N LYS B 33 153.532 14.599 5.330 1.00 0.35 N ATOM 1883 CA LYS B 33 152.651 15.304 4.357 1.00 0.36 C ATOM 1884 C LYS B 33 151.293 14.593 4.283 1.00 0.34 C ATOM 1885 O LYS B 33 150.252 15.222 4.304 1.00 0.36 O ATOM 1886 CB LYS B 33 153.300 15.279 2.968 1.00 0.36 C ATOM 1887 CG LYS B 33 154.598 16.100 2.968 1.00 0.39 C ATOM 1888 CD LYS B 33 154.288 17.601 2.904 1.00 0.64 C ATOM 1889 CE LYS B 33 155.580 18.373 2.636 1.00 0.66 C ATOM 1890 NZ LYS B 33 156.068 18.058 1.263 1.00 1.56 N ATOM 0 H LYS B 33 154.368 14.166 4.937 1.00 0.35 H new ATOM 0 HA LYS B 33 152.511 16.335 4.683 1.00 0.36 H new ATOM 0 HB2 LYS B 33 153.513 14.250 2.678 1.00 0.36 H new ATOM 0 HB3 LYS B 33 152.608 15.682 2.229 1.00 0.36 H new ATOM 0 HG2 LYS B 33 155.174 15.880 3.867 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.215 15.814 2.116 1.00 0.39 H new ATOM 0 HD2 LYS B 33 153.562 17.801 2.116 1.00 0.64 H new ATOM 0 HD3 LYS B 33 153.841 17.932 3.841 1.00 0.64 H new ATOM 0 HE2 LYS B 33 155.404 19.444 2.735 1.00 0.66 H new ATOM 0 HE3 LYS B 33 156.337 18.105 3.373 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 156.627 18.857 0.901 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 156.663 17.205 1.293 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 155.256 17.892 0.635 1.00 1.56 H new ATOM 1904 N LEU B 34 151.286 13.292 4.204 1.00 0.32 N ATOM 1905 CA LEU B 34 149.989 12.554 4.136 1.00 0.31 C ATOM 1906 C LEU B 34 149.180 12.805 5.415 1.00 0.31 C ATOM 1907 O LEU B 34 147.977 12.960 5.386 1.00 0.32 O ATOM 1908 CB LEU B 34 150.264 11.059 3.980 1.00 0.28 C ATOM 1909 CG LEU B 34 151.009 10.803 2.663 1.00 0.29 C ATOM 1910 CD1 LEU B 34 151.507 9.355 2.642 1.00 0.29 C ATOM 1911 CD2 LEU B 34 150.072 11.050 1.459 1.00 0.33 C ATOM 0 H LEU B 34 152.120 12.706 4.183 1.00 0.32 H new ATOM 0 HA LEU B 34 149.415 12.907 3.279 1.00 0.31 H new ATOM 0 HB2 LEU B 34 150.858 10.699 4.820 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.326 10.504 3.992 1.00 0.28 H new ATOM 0 HG LEU B 34 151.855 11.486 2.591 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.037 9.166 1.709 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.181 9.190 3.482 1.00 0.29 H new ATOM 0 HD13 LEU B 34 150.657 8.677 2.720 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.614 10.865 0.532 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.216 10.377 1.520 1.00 0.33 H new ATOM 0 HD23 LEU B 34 149.723 12.083 1.475 1.00 0.33 H new ATOM 1923 N GLU B 35 149.841 12.830 6.537 1.00 0.31 N ATOM 1924 CA GLU B 35 149.109 13.056 7.819 1.00 0.34 C ATOM 1925 C GLU B 35 148.416 14.417 7.760 1.00 0.37 C ATOM 1926 O GLU B 35 147.288 14.573 8.188 1.00 0.39 O ATOM 1927 CB GLU B 35 150.100 13.021 8.989 1.00 0.35 C ATOM 1928 CG GLU B 35 150.622 11.592 9.170 1.00 0.92 C ATOM 1929 CD GLU B 35 151.734 11.575 10.222 1.00 1.02 C ATOM 1930 OE1 GLU B 35 152.045 12.632 10.747 1.00 1.68 O ATOM 1931 OE2 GLU B 35 152.248 10.501 10.492 1.00 1.35 O ATOM 0 H GLU B 35 150.849 12.705 6.625 1.00 0.31 H new ATOM 0 HA GLU B 35 148.364 12.274 7.965 1.00 0.34 H new ATOM 0 HB2 GLU B 35 150.930 13.702 8.798 1.00 0.35 H new ATOM 0 HB3 GLU B 35 149.613 13.361 9.903 1.00 0.35 H new ATOM 0 HG2 GLU B 35 149.809 10.934 9.477 1.00 0.92 H new ATOM 0 HG3 GLU B 35 151.000 11.210 8.222 1.00 0.92 H new ATOM 1938 N GLU B 36 149.075 15.399 7.210 1.00 0.39 N ATOM 1939 CA GLU B 36 148.455 16.749 7.091 1.00 0.44 C ATOM 1940 C GLU B 36 147.298 16.658 6.092 1.00 0.45 C ATOM 1941 O GLU B 36 146.416 17.492 6.060 1.00 0.49 O ATOM 1942 CB GLU B 36 149.506 17.754 6.598 1.00 0.46 C ATOM 1943 CG GLU B 36 148.902 19.163 6.538 1.00 1.11 C ATOM 1944 CD GLU B 36 148.501 19.616 7.944 1.00 1.38 C ATOM 1945 OE1 GLU B 36 149.188 19.250 8.883 1.00 1.85 O ATOM 1946 OE2 GLU B 36 147.506 20.315 8.056 1.00 1.99 O ATOM 0 H GLU B 36 150.021 15.324 6.836 1.00 0.39 H new ATOM 0 HA GLU B 36 148.082 17.085 8.058 1.00 0.44 H new ATOM 0 HB2 GLU B 36 150.368 17.748 7.266 1.00 0.46 H new ATOM 0 HB3 GLU B 36 149.865 17.462 5.611 1.00 0.46 H new ATOM 0 HG2 GLU B 36 149.624 19.860 6.114 1.00 1.11 H new ATOM 0 HG3 GLU B 36 148.031 19.168 5.882 1.00 1.11 H new ATOM 1953 N ARG B 37 147.302 15.635 5.277 1.00 0.42 N ATOM 1954 CA ARG B 37 146.211 15.473 4.271 1.00 0.45 C ATOM 1955 C ARG B 37 145.066 14.656 4.881 1.00 0.42 C ATOM 1956 O ARG B 37 144.107 14.327 4.211 1.00 0.43 O ATOM 1957 CB ARG B 37 146.750 14.752 3.022 1.00 0.45 C ATOM 1958 CG ARG B 37 147.676 15.673 2.210 1.00 0.52 C ATOM 1959 CD ARG B 37 146.858 16.589 1.290 1.00 0.86 C ATOM 1960 NE ARG B 37 146.008 15.762 0.385 1.00 1.42 N ATOM 1961 CZ ARG B 37 145.033 16.321 -0.280 1.00 1.87 C ATOM 1962 NH1 ARG B 37 144.792 17.594 -0.131 1.00 2.15 N ATOM 1963 NH2 ARG B 37 144.300 15.608 -1.093 1.00 2.68 N ATOM 0 H ARG B 37 148.014 14.905 5.265 1.00 0.42 H new ATOM 0 HA ARG B 37 145.842 16.458 3.984 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.294 13.856 3.321 1.00 0.45 H new ATOM 0 HB3 ARG B 37 145.918 14.426 2.398 1.00 0.45 H new ATOM 0 HG2 ARG B 37 148.282 16.276 2.886 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.364 15.072 1.615 1.00 0.52 H new ATOM 0 HD2 ARG B 37 146.232 17.254 1.885 1.00 0.86 H new ATOM 0 HD3 ARG B 37 147.525 17.220 0.703 1.00 0.86 H new ATOM 0 HE ARG B 37 146.188 14.763 0.286 1.00 1.42 H new ATOM 0 HH11 ARG B 37 145.364 18.151 0.504 1.00 2.15 H new ATOM 0 HH12 ARG B 37 144.031 18.033 -0.649 1.00 2.15 H new ATOM 0 HH21 ARG B 37 144.489 14.612 -1.209 1.00 2.68 H new ATOM 0 HH22 ARG B 37 143.539 16.047 -1.611 1.00 2.68 H new ATOM 1977 N GLY B 38 145.132 14.358 6.158 1.00 0.41 N ATOM 1978 CA GLY B 38 144.012 13.606 6.814 1.00 0.39 C ATOM 1979 C GLY B 38 144.306 12.105 6.880 1.00 0.37 C ATOM 1980 O GLY B 38 143.448 11.322 7.236 1.00 0.49 O ATOM 0 H GLY B 38 145.909 14.601 6.772 1.00 0.41 H new ATOM 0 HA2 GLY B 38 143.855 13.991 7.821 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.088 13.773 6.261 1.00 0.39 H new ATOM 1984 N PHE B 39 145.502 11.689 6.554 1.00 0.31 N ATOM 1985 CA PHE B 39 145.843 10.231 6.615 1.00 0.28 C ATOM 1986 C PHE B 39 146.701 9.972 7.859 1.00 0.28 C ATOM 1987 O PHE B 39 147.903 9.826 7.776 1.00 0.28 O ATOM 1988 CB PHE B 39 146.652 9.865 5.374 1.00 0.27 C ATOM 1989 CG PHE B 39 145.783 9.960 4.141 1.00 0.28 C ATOM 1990 CD1 PHE B 39 145.596 11.197 3.523 1.00 0.31 C ATOM 1991 CD2 PHE B 39 145.182 8.814 3.608 1.00 0.27 C ATOM 1992 CE1 PHE B 39 144.804 11.297 2.372 1.00 0.33 C ATOM 1993 CE2 PHE B 39 144.388 8.910 2.457 1.00 0.30 C ATOM 1994 CZ PHE B 39 144.200 10.153 1.839 1.00 0.32 C ATOM 0 H PHE B 39 146.262 12.296 6.247 1.00 0.31 H new ATOM 0 HA PHE B 39 144.932 9.635 6.660 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.508 10.534 5.278 1.00 0.27 H new ATOM 0 HB3 PHE B 39 147.047 8.854 5.473 1.00 0.27 H new ATOM 0 HD1 PHE B 39 146.063 12.080 3.933 1.00 0.31 H new ATOM 0 HD2 PHE B 39 145.330 7.856 4.084 1.00 0.27 H new ATOM 0 HE1 PHE B 39 144.660 12.256 1.897 1.00 0.33 H new ATOM 0 HE2 PHE B 39 143.922 8.026 2.047 1.00 0.30 H new ATOM 0 HZ PHE B 39 143.589 10.228 0.952 1.00 0.32 H new ATOM 2004 N ASP B 40 146.094 9.961 9.017 1.00 0.30 N ATOM 2005 CA ASP B 40 146.880 9.768 10.271 1.00 0.31 C ATOM 2006 C ASP B 40 147.325 8.308 10.427 1.00 0.29 C ATOM 2007 O ASP B 40 148.130 7.997 11.281 1.00 0.30 O ATOM 2008 CB ASP B 40 146.012 10.157 11.469 1.00 0.35 C ATOM 2009 CG ASP B 40 144.807 9.219 11.552 1.00 0.37 C ATOM 2010 OD1 ASP B 40 144.562 8.512 10.587 1.00 0.36 O ATOM 2011 OD2 ASP B 40 144.146 9.226 12.577 1.00 0.41 O ATOM 0 H ASP B 40 145.089 10.077 9.148 1.00 0.30 H new ATOM 0 HA ASP B 40 147.769 10.396 10.222 1.00 0.31 H new ATOM 0 HB2 ASP B 40 146.595 10.099 12.388 1.00 0.35 H new ATOM 0 HB3 ASP B 40 145.677 11.189 11.369 1.00 0.35 H new ATOM 2016 N LYS B 41 146.826 7.408 9.613 1.00 0.28 N ATOM 2017 CA LYS B 41 147.248 5.972 9.733 1.00 0.28 C ATOM 2018 C LYS B 41 147.414 5.338 8.347 1.00 0.23 C ATOM 2019 O LYS B 41 146.947 5.851 7.349 1.00 0.23 O ATOM 2020 CB LYS B 41 146.230 5.194 10.575 1.00 0.33 C ATOM 2021 CG LYS B 41 146.362 5.640 12.036 1.00 0.47 C ATOM 2022 CD LYS B 41 145.361 4.885 12.910 1.00 0.74 C ATOM 2023 CE LYS B 41 145.643 5.189 14.381 1.00 0.71 C ATOM 2024 NZ LYS B 41 144.801 4.309 15.241 1.00 1.56 N ATOM 0 H LYS B 41 146.149 7.602 8.875 1.00 0.28 H new ATOM 0 HA LYS B 41 148.215 5.931 10.235 1.00 0.28 H new ATOM 0 HB2 LYS B 41 145.219 5.379 10.213 1.00 0.33 H new ATOM 0 HB3 LYS B 41 146.408 4.122 10.489 1.00 0.33 H new ATOM 0 HG2 LYS B 41 147.376 5.456 12.390 1.00 0.47 H new ATOM 0 HG3 LYS B 41 146.187 6.713 12.114 1.00 0.47 H new ATOM 0 HD2 LYS B 41 144.343 5.180 12.655 1.00 0.74 H new ATOM 0 HD3 LYS B 41 145.438 3.813 12.727 1.00 0.74 H new ATOM 0 HE2 LYS B 41 146.698 5.028 14.601 1.00 0.71 H new ATOM 0 HE3 LYS B 41 145.429 6.236 14.594 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 144.993 4.516 16.242 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 143.796 4.484 15.038 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 145.026 3.313 15.044 1.00 1.56 H new ATOM 2038 N ALA B 42 148.117 4.237 8.292 1.00 0.21 N ATOM 2039 CA ALA B 42 148.384 3.546 6.994 1.00 0.20 C ATOM 2040 C ALA B 42 147.103 3.012 6.345 1.00 0.18 C ATOM 2041 O ALA B 42 146.927 3.111 5.145 1.00 0.18 O ATOM 2042 CB ALA B 42 149.333 2.373 7.252 1.00 0.21 C ATOM 0 H ALA B 42 148.525 3.779 9.107 1.00 0.21 H new ATOM 0 HA ALA B 42 148.824 4.273 6.311 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.538 1.858 6.314 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.267 2.746 7.673 1.00 0.21 H new ATOM 0 HB3 ALA B 42 148.871 1.679 7.954 1.00 0.21 H new ATOM 2048 N TYR B 43 146.230 2.402 7.096 1.00 0.18 N ATOM 2049 CA TYR B 43 145.003 1.821 6.479 1.00 0.18 C ATOM 2050 C TYR B 43 144.202 2.902 5.741 1.00 0.17 C ATOM 2051 O TYR B 43 143.396 2.603 4.883 1.00 0.17 O ATOM 2052 CB TYR B 43 144.148 1.128 7.552 1.00 0.20 C ATOM 2053 CG TYR B 43 143.296 2.124 8.300 1.00 0.21 C ATOM 2054 CD1 TYR B 43 142.088 2.552 7.743 1.00 0.21 C ATOM 2055 CD2 TYR B 43 143.697 2.600 9.552 1.00 0.24 C ATOM 2056 CE1 TYR B 43 141.280 3.456 8.435 1.00 0.25 C ATOM 2057 CE2 TYR B 43 142.889 3.509 10.243 1.00 0.28 C ATOM 2058 CZ TYR B 43 141.680 3.936 9.686 1.00 0.27 C ATOM 2059 OH TYR B 43 140.881 4.827 10.374 1.00 0.32 O ATOM 0 H TYR B 43 146.311 2.280 8.105 1.00 0.18 H new ATOM 0 HA TYR B 43 145.300 1.072 5.745 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.510 0.379 7.084 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.796 0.601 8.253 1.00 0.20 H new ATOM 0 HD1 TYR B 43 141.779 2.183 6.776 1.00 0.21 H new ATOM 0 HD2 TYR B 43 144.629 2.267 9.985 1.00 0.24 H new ATOM 0 HE1 TYR B 43 140.346 3.785 8.004 1.00 0.25 H new ATOM 0 HE2 TYR B 43 143.200 3.881 11.208 1.00 0.28 H new ATOM 0 HH TYR B 43 141.307 5.058 11.226 1.00 0.32 H new ATOM 2069 N VAL B 44 144.432 4.153 6.035 1.00 0.18 N ATOM 2070 CA VAL B 44 143.690 5.223 5.306 1.00 0.18 C ATOM 2071 C VAL B 44 144.373 5.428 3.951 1.00 0.17 C ATOM 2072 O VAL B 44 143.755 5.764 2.957 1.00 0.17 O ATOM 2073 CB VAL B 44 143.726 6.528 6.107 1.00 0.20 C ATOM 2074 CG1 VAL B 44 142.823 7.569 5.438 1.00 0.21 C ATOM 2075 CG2 VAL B 44 143.229 6.265 7.530 1.00 0.24 C ATOM 0 H VAL B 44 145.093 4.479 6.740 1.00 0.18 H new ATOM 0 HA VAL B 44 142.648 4.933 5.170 1.00 0.18 H new ATOM 0 HB VAL B 44 144.749 6.904 6.139 1.00 0.20 H new ATOM 0 HG11 VAL B 44 142.851 8.496 6.010 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.175 7.758 4.424 1.00 0.21 H new ATOM 0 HG13 VAL B 44 141.800 7.195 5.403 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.254 7.193 8.101 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.207 5.888 7.495 1.00 0.24 H new ATOM 0 HG23 VAL B 44 143.872 5.526 8.009 1.00 0.24 H new ATOM 2085 N VAL B 45 145.658 5.209 3.926 1.00 0.17 N ATOM 2086 CA VAL B 45 146.432 5.368 2.665 1.00 0.17 C ATOM 2087 C VAL B 45 146.146 4.162 1.776 1.00 0.15 C ATOM 2088 O VAL B 45 145.971 4.288 0.581 1.00 0.15 O ATOM 2089 CB VAL B 45 147.928 5.436 2.980 1.00 0.18 C ATOM 2090 CG1 VAL B 45 148.739 5.352 1.679 1.00 0.22 C ATOM 2091 CG2 VAL B 45 148.232 6.754 3.696 1.00 0.20 C ATOM 0 H VAL B 45 146.210 4.924 4.735 1.00 0.17 H new ATOM 0 HA VAL B 45 146.141 6.288 2.158 1.00 0.17 H new ATOM 0 HB VAL B 45 148.203 4.600 3.622 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.803 5.401 1.910 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.520 4.411 1.174 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.470 6.184 1.028 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.297 6.808 3.923 1.00 0.20 H new ATOM 0 HG22 VAL B 45 147.955 7.590 3.053 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.661 6.805 4.623 1.00 0.20 H new ATOM 2101 N LEU B 46 146.065 2.996 2.352 1.00 0.17 N ATOM 2102 CA LEU B 46 145.752 1.801 1.531 1.00 0.17 C ATOM 2103 C LEU B 46 144.402 2.056 0.870 1.00 0.17 C ATOM 2104 O LEU B 46 144.158 1.660 -0.253 1.00 0.17 O ATOM 2105 CB LEU B 46 145.693 0.556 2.430 1.00 0.22 C ATOM 2106 CG LEU B 46 145.148 -0.653 1.654 1.00 0.25 C ATOM 2107 CD1 LEU B 46 146.030 -0.937 0.433 1.00 0.40 C ATOM 2108 CD2 LEU B 46 145.145 -1.882 2.570 1.00 0.35 C ATOM 0 H LEU B 46 146.201 2.822 3.348 1.00 0.17 H new ATOM 0 HA LEU B 46 146.517 1.626 0.774 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.689 0.330 2.811 1.00 0.22 H new ATOM 0 HB3 LEU B 46 145.059 0.755 3.294 1.00 0.22 H new ATOM 0 HG LEU B 46 144.134 -0.434 1.320 1.00 0.25 H new ATOM 0 HD11 LEU B 46 145.635 -1.796 -0.110 1.00 0.40 H new ATOM 0 HD12 LEU B 46 146.036 -0.066 -0.222 1.00 0.40 H new ATOM 0 HD13 LEU B 46 147.047 -1.152 0.761 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.759 -2.742 2.023 1.00 0.35 H new ATOM 0 HD22 LEU B 46 146.162 -2.090 2.903 1.00 0.35 H new ATOM 0 HD23 LEU B 46 144.512 -1.689 3.436 1.00 0.35 H new ATOM 2120 N GLY B 47 143.528 2.732 1.566 1.00 0.17 N ATOM 2121 CA GLY B 47 142.190 3.040 1.001 1.00 0.18 C ATOM 2122 C GLY B 47 142.353 3.859 -0.278 1.00 0.17 C ATOM 2123 O GLY B 47 141.665 3.646 -1.252 1.00 0.18 O ATOM 0 H GLY B 47 143.688 3.085 2.509 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.652 2.116 0.788 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.596 3.595 1.727 1.00 0.18 H new ATOM 2127 N GLN B 48 143.261 4.798 -0.286 1.00 0.17 N ATOM 2128 CA GLN B 48 143.452 5.625 -1.511 1.00 0.18 C ATOM 2129 C GLN B 48 143.833 4.707 -2.677 1.00 0.17 C ATOM 2130 O GLN B 48 143.334 4.849 -3.776 1.00 0.18 O ATOM 2131 CB GLN B 48 144.570 6.645 -1.267 1.00 0.18 C ATOM 2132 CG GLN B 48 144.627 7.644 -2.429 1.00 0.22 C ATOM 2133 CD GLN B 48 143.531 8.701 -2.261 1.00 0.28 C ATOM 2134 OE1 GLN B 48 143.531 9.706 -2.943 1.00 0.97 O ATOM 2135 NE2 GLN B 48 142.592 8.520 -1.372 1.00 1.09 N ATOM 0 H GLN B 48 143.874 5.027 0.497 1.00 0.17 H new ATOM 0 HA GLN B 48 142.530 6.155 -1.750 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.394 7.173 -0.330 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.527 6.132 -1.169 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.605 8.124 -2.460 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.498 7.121 -3.377 1.00 0.22 H new ATOM 0 HE21 GLN B 48 142.589 7.677 -0.798 1.00 1.09 H new ATOM 0 HE22 GLN B 48 141.861 9.222 -1.252 1.00 1.09 H new ATOM 2144 N PHE B 49 144.688 3.753 -2.440 1.00 0.17 N ATOM 2145 CA PHE B 49 145.077 2.808 -3.526 1.00 0.17 C ATOM 2146 C PHE B 49 143.826 2.080 -4.014 1.00 0.18 C ATOM 2147 O PHE B 49 143.629 1.880 -5.197 1.00 0.19 O ATOM 2148 CB PHE B 49 146.086 1.800 -2.969 1.00 0.18 C ATOM 2149 CG PHE B 49 146.499 0.815 -4.037 1.00 0.20 C ATOM 2150 CD1 PHE B 49 147.571 1.105 -4.889 1.00 0.24 C ATOM 2151 CD2 PHE B 49 145.822 -0.407 -4.155 1.00 0.27 C ATOM 2152 CE1 PHE B 49 147.966 0.173 -5.858 1.00 0.27 C ATOM 2153 CE2 PHE B 49 146.215 -1.334 -5.126 1.00 0.31 C ATOM 2154 CZ PHE B 49 147.287 -1.046 -5.976 1.00 0.27 C ATOM 0 H PHE B 49 145.136 3.585 -1.539 1.00 0.17 H new ATOM 0 HA PHE B 49 145.530 3.348 -4.358 1.00 0.17 H new ATOM 0 HB2 PHE B 49 146.964 2.326 -2.593 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.648 1.267 -2.125 1.00 0.18 H new ATOM 0 HD1 PHE B 49 148.093 2.046 -4.800 1.00 0.24 H new ATOM 0 HD2 PHE B 49 144.997 -0.633 -3.496 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.795 0.395 -6.514 1.00 0.27 H new ATOM 0 HE2 PHE B 49 145.690 -2.273 -5.219 1.00 0.31 H new ATOM 0 HZ PHE B 49 147.591 -1.764 -6.724 1.00 0.27 H new ATOM 2164 N LEU B 50 142.982 1.688 -3.110 1.00 0.18 N ATOM 2165 CA LEU B 50 141.743 0.977 -3.523 1.00 0.20 C ATOM 2166 C LEU B 50 140.807 1.974 -4.221 1.00 0.21 C ATOM 2167 O LEU B 50 140.158 1.652 -5.195 1.00 0.23 O ATOM 2168 CB LEU B 50 141.070 0.380 -2.277 1.00 0.22 C ATOM 2169 CG LEU B 50 141.970 -0.702 -1.648 1.00 0.23 C ATOM 2170 CD1 LEU B 50 141.537 -0.956 -0.196 1.00 0.27 C ATOM 2171 CD2 LEU B 50 141.848 -2.018 -2.429 1.00 0.27 C ATOM 0 H LEU B 50 143.093 1.827 -2.106 1.00 0.18 H new ATOM 0 HA LEU B 50 141.977 0.169 -4.216 1.00 0.20 H new ATOM 0 HB2 LEU B 50 140.874 1.167 -1.549 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.106 -0.051 -2.548 1.00 0.22 H new ATOM 0 HG LEU B 50 143.002 -0.352 -1.679 1.00 0.23 H new ATOM 0 HD11 LEU B 50 142.175 -1.721 0.245 1.00 0.27 H new ATOM 0 HD12 LEU B 50 141.627 -0.033 0.377 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.501 -1.294 -0.179 1.00 0.27 H new ATOM 0 HD21 LEU B 50 142.489 -2.772 -1.973 1.00 0.27 H new ATOM 0 HD22 LEU B 50 140.813 -2.360 -2.407 1.00 0.27 H new ATOM 0 HD23 LEU B 50 142.155 -1.858 -3.463 1.00 0.27 H new ATOM 2183 N VAL B 51 140.720 3.174 -3.716 1.00 0.21 N ATOM 2184 CA VAL B 51 139.812 4.190 -4.332 1.00 0.23 C ATOM 2185 C VAL B 51 140.335 4.624 -5.713 1.00 0.23 C ATOM 2186 O VAL B 51 139.580 5.077 -6.550 1.00 0.25 O ATOM 2187 CB VAL B 51 139.708 5.410 -3.400 1.00 0.25 C ATOM 2188 CG1 VAL B 51 139.011 6.570 -4.118 1.00 0.28 C ATOM 2189 CG2 VAL B 51 138.896 5.040 -2.152 1.00 0.27 C ATOM 0 H VAL B 51 141.240 3.498 -2.900 1.00 0.21 H new ATOM 0 HA VAL B 51 138.826 3.746 -4.467 1.00 0.23 H new ATOM 0 HB VAL B 51 140.715 5.714 -3.113 1.00 0.25 H new ATOM 0 HG11 VAL B 51 138.944 7.426 -3.447 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.584 6.847 -5.003 1.00 0.28 H new ATOM 0 HG13 VAL B 51 138.008 6.264 -4.416 1.00 0.28 H new ATOM 0 HG21 VAL B 51 138.825 5.906 -1.494 1.00 0.27 H new ATOM 0 HG22 VAL B 51 137.895 4.726 -2.449 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.391 4.224 -1.625 1.00 0.27 H new ATOM 2199 N LEU B 52 141.615 4.501 -5.955 1.00 0.22 N ATOM 2200 CA LEU B 52 142.170 4.927 -7.286 1.00 0.23 C ATOM 2201 C LEU B 52 142.201 3.741 -8.255 1.00 0.23 C ATOM 2202 O LEU B 52 142.849 3.788 -9.283 1.00 0.24 O ATOM 2203 CB LEU B 52 143.581 5.496 -7.109 1.00 0.24 C ATOM 2204 CG LEU B 52 143.522 6.844 -6.364 1.00 0.25 C ATOM 2205 CD1 LEU B 52 144.949 7.343 -6.122 1.00 0.30 C ATOM 2206 CD2 LEU B 52 142.750 7.890 -7.198 1.00 0.27 C ATOM 0 H LEU B 52 142.299 4.128 -5.297 1.00 0.22 H new ATOM 0 HA LEU B 52 141.524 5.701 -7.701 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.198 4.791 -6.552 1.00 0.24 H new ATOM 0 HB3 LEU B 52 144.051 5.631 -8.083 1.00 0.24 H new ATOM 0 HG LEU B 52 143.006 6.703 -5.414 1.00 0.25 H new ATOM 0 HD11 LEU B 52 144.917 8.297 -5.595 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.492 6.614 -5.520 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.456 7.474 -7.078 1.00 0.30 H new ATOM 0 HD21 LEU B 52 142.718 8.836 -6.657 1.00 0.27 H new ATOM 0 HD22 LEU B 52 143.253 8.036 -8.154 1.00 0.27 H new ATOM 0 HD23 LEU B 52 141.733 7.538 -7.373 1.00 0.27 H new ATOM 2218 N LYS B 53 141.499 2.689 -7.956 1.00 0.23 N ATOM 2219 CA LYS B 53 141.479 1.519 -8.878 1.00 0.24 C ATOM 2220 C LYS B 53 142.907 1.079 -9.224 1.00 0.24 C ATOM 2221 O LYS B 53 143.200 0.730 -10.351 1.00 0.30 O ATOM 2222 CB LYS B 53 140.747 1.889 -10.168 1.00 0.29 C ATOM 2223 CG LYS B 53 139.309 2.297 -9.841 1.00 0.39 C ATOM 2224 CD LYS B 53 138.581 2.669 -11.134 1.00 0.48 C ATOM 2225 CE LYS B 53 137.162 3.134 -10.808 1.00 0.92 C ATOM 2226 NZ LYS B 53 136.395 2.012 -10.197 1.00 1.71 N ATOM 0 H LYS B 53 140.936 2.586 -7.112 1.00 0.23 H new ATOM 0 HA LYS B 53 140.963 0.699 -8.379 1.00 0.24 H new ATOM 0 HB2 LYS B 53 141.263 2.708 -10.669 1.00 0.29 H new ATOM 0 HB3 LYS B 53 140.749 1.043 -10.855 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.791 1.478 -9.342 1.00 0.39 H new ATOM 0 HG3 LYS B 53 139.306 3.142 -9.153 1.00 0.39 H new ATOM 0 HD2 LYS B 53 139.123 3.459 -11.654 1.00 0.48 H new ATOM 0 HD3 LYS B 53 138.548 1.810 -11.805 1.00 0.48 H new ATOM 0 HE2 LYS B 53 137.195 3.981 -10.123 1.00 0.92 H new ATOM 0 HE3 LYS B 53 136.664 3.477 -11.715 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 135.441 2.340 -9.945 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 136.323 1.229 -10.878 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 136.885 1.682 -9.341 1.00 1.71 H new ATOM 2240 N LYS B 54 143.799 1.088 -8.264 1.00 0.23 N ATOM 2241 CA LYS B 54 145.217 0.671 -8.496 1.00 0.26 C ATOM 2242 C LYS B 54 145.746 1.186 -9.834 1.00 0.28 C ATOM 2243 O LYS B 54 146.744 0.698 -10.330 1.00 0.34 O ATOM 2244 CB LYS B 54 145.342 -0.862 -8.456 1.00 0.36 C ATOM 2245 CG LYS B 54 144.501 -1.517 -9.561 1.00 0.67 C ATOM 2246 CD LYS B 54 144.838 -3.009 -9.627 1.00 0.83 C ATOM 2247 CE LYS B 54 144.117 -3.651 -10.815 1.00 1.41 C ATOM 2248 NZ LYS B 54 144.741 -4.968 -11.119 1.00 2.25 N ATOM 0 H LYS B 54 143.598 1.374 -7.306 1.00 0.23 H new ATOM 0 HA LYS B 54 145.816 1.109 -7.697 1.00 0.26 H new ATOM 0 HB2 LYS B 54 146.387 -1.147 -8.574 1.00 0.36 H new ATOM 0 HB3 LYS B 54 145.019 -1.231 -7.483 1.00 0.36 H new ATOM 0 HG2 LYS B 54 143.439 -1.380 -9.357 1.00 0.67 H new ATOM 0 HG3 LYS B 54 144.705 -1.042 -10.521 1.00 0.67 H new ATOM 0 HD2 LYS B 54 145.915 -3.144 -9.727 1.00 0.83 H new ATOM 0 HD3 LYS B 54 144.540 -3.500 -8.700 1.00 0.83 H new ATOM 0 HE2 LYS B 54 143.059 -3.782 -10.585 1.00 1.41 H new ATOM 0 HE3 LYS B 54 144.176 -2.998 -11.686 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 144.252 -5.406 -11.926 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 145.744 -4.830 -11.355 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 144.663 -5.589 -10.289 1.00 2.25 H new ATOM 2262 N ASP B 55 145.141 2.177 -10.416 1.00 0.30 N ATOM 2263 CA ASP B 55 145.706 2.689 -11.696 1.00 0.39 C ATOM 2264 C ASP B 55 147.065 3.318 -11.353 1.00 0.38 C ATOM 2265 O ASP B 55 147.153 4.233 -10.558 1.00 0.37 O ATOM 2266 CB ASP B 55 144.752 3.718 -12.304 1.00 0.47 C ATOM 2267 CG ASP B 55 145.348 4.285 -13.596 1.00 1.18 C ATOM 2268 OD1 ASP B 55 146.554 4.449 -13.649 1.00 1.80 O ATOM 2269 OD2 ASP B 55 144.587 4.538 -14.515 1.00 1.54 O ATOM 0 H ASP B 55 144.302 2.647 -10.076 1.00 0.30 H new ATOM 0 HA ASP B 55 145.833 1.895 -12.432 1.00 0.39 H new ATOM 0 HB2 ASP B 55 143.788 3.254 -12.511 1.00 0.47 H new ATOM 0 HB3 ASP B 55 144.572 4.524 -11.593 1.00 0.47 H new ATOM 2274 N GLU B 56 148.133 2.789 -11.898 1.00 0.39 N ATOM 2275 CA GLU B 56 149.502 3.297 -11.561 1.00 0.38 C ATOM 2276 C GLU B 56 149.718 4.767 -11.940 1.00 0.38 C ATOM 2277 O GLU B 56 150.340 5.506 -11.205 1.00 0.38 O ATOM 2278 CB GLU B 56 150.546 2.438 -12.282 1.00 0.40 C ATOM 2279 CG GLU B 56 151.952 2.835 -11.815 1.00 0.41 C ATOM 2280 CD GLU B 56 152.991 1.974 -12.536 1.00 0.63 C ATOM 2281 OE1 GLU B 56 152.595 1.030 -13.198 1.00 0.88 O ATOM 2282 OE2 GLU B 56 154.169 2.270 -12.406 1.00 0.85 O ATOM 0 H GLU B 56 148.116 2.020 -12.568 1.00 0.39 H new ATOM 0 HA GLU B 56 149.607 3.229 -10.478 1.00 0.38 H new ATOM 0 HB2 GLU B 56 150.368 1.383 -12.076 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.459 2.571 -13.360 1.00 0.40 H new ATOM 0 HG2 GLU B 56 152.131 3.890 -12.022 1.00 0.41 H new ATOM 0 HG3 GLU B 56 152.040 2.703 -10.737 1.00 0.41 H new ATOM 2289 N ASP B 57 149.247 5.206 -13.073 1.00 0.40 N ATOM 2290 CA ASP B 57 149.484 6.632 -13.446 1.00 0.42 C ATOM 2291 C ASP B 57 148.675 7.553 -12.538 1.00 0.41 C ATOM 2292 O ASP B 57 149.152 8.582 -12.102 1.00 0.41 O ATOM 2293 CB ASP B 57 149.070 6.863 -14.904 1.00 0.45 C ATOM 2294 CG ASP B 57 150.049 6.150 -15.838 1.00 0.47 C ATOM 2295 OD1 ASP B 57 151.150 5.858 -15.400 1.00 0.65 O ATOM 2296 OD2 ASP B 57 149.682 5.913 -16.977 1.00 0.74 O ATOM 0 H ASP B 57 148.718 4.653 -13.747 1.00 0.40 H new ATOM 0 HA ASP B 57 150.545 6.854 -13.329 1.00 0.42 H new ATOM 0 HB2 ASP B 57 148.059 6.490 -15.068 1.00 0.45 H new ATOM 0 HB3 ASP B 57 149.056 7.931 -15.123 1.00 0.45 H new ATOM 2301 N LEU B 58 147.472 7.190 -12.225 1.00 0.40 N ATOM 2302 CA LEU B 58 146.669 8.057 -11.321 1.00 0.40 C ATOM 2303 C LEU B 58 147.237 7.941 -9.903 1.00 0.38 C ATOM 2304 O LEU B 58 147.343 8.914 -9.185 1.00 0.38 O ATOM 2305 CB LEU B 58 145.201 7.625 -11.332 1.00 0.41 C ATOM 2306 CG LEU B 58 144.637 7.717 -12.760 1.00 0.47 C ATOM 2307 CD1 LEU B 58 143.176 7.253 -12.758 1.00 0.45 C ATOM 2308 CD2 LEU B 58 144.716 9.168 -13.272 1.00 0.55 C ATOM 0 H LEU B 58 147.009 6.341 -12.549 1.00 0.40 H new ATOM 0 HA LEU B 58 146.723 9.091 -11.663 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.111 6.604 -10.962 1.00 0.41 H new ATOM 0 HB3 LEU B 58 144.621 8.260 -10.662 1.00 0.41 H new ATOM 0 HG LEU B 58 145.227 7.079 -13.418 1.00 0.47 H new ATOM 0 HD11 LEU B 58 142.773 7.317 -13.769 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.122 6.221 -12.410 1.00 0.45 H new ATOM 0 HD13 LEU B 58 142.593 7.891 -12.094 1.00 0.45 H new ATOM 0 HD21 LEU B 58 144.314 9.219 -14.284 1.00 0.55 H new ATOM 0 HD22 LEU B 58 144.135 9.817 -12.617 1.00 0.55 H new ATOM 0 HD23 LEU B 58 145.756 9.496 -13.278 1.00 0.55 H new ATOM 2320 N PHE B 59 147.617 6.755 -9.503 1.00 0.37 N ATOM 2321 CA PHE B 59 148.197 6.573 -8.142 1.00 0.35 C ATOM 2322 C PHE B 59 149.483 7.390 -8.009 1.00 0.36 C ATOM 2323 O PHE B 59 149.670 8.117 -7.055 1.00 0.35 O ATOM 2324 CB PHE B 59 148.497 5.089 -7.906 1.00 0.35 C ATOM 2325 CG PHE B 59 149.090 4.901 -6.527 1.00 0.34 C ATOM 2326 CD1 PHE B 59 148.254 4.662 -5.428 1.00 0.35 C ATOM 2327 CD2 PHE B 59 150.478 4.953 -6.352 1.00 0.37 C ATOM 2328 CE1 PHE B 59 148.809 4.479 -4.154 1.00 0.37 C ATOM 2329 CE2 PHE B 59 151.031 4.771 -5.078 1.00 0.38 C ATOM 2330 CZ PHE B 59 150.196 4.535 -3.980 1.00 0.37 C ATOM 0 H PHE B 59 147.550 5.905 -10.062 1.00 0.37 H new ATOM 0 HA PHE B 59 147.480 6.919 -7.398 1.00 0.35 H new ATOM 0 HB2 PHE B 59 147.583 4.504 -8.002 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.190 4.723 -8.663 1.00 0.35 H new ATOM 0 HD1 PHE B 59 147.183 4.619 -5.563 1.00 0.35 H new ATOM 0 HD2 PHE B 59 151.123 5.133 -7.200 1.00 0.37 H new ATOM 0 HE1 PHE B 59 148.166 4.295 -3.306 1.00 0.37 H new ATOM 0 HE2 PHE B 59 152.102 4.813 -4.943 1.00 0.38 H new ATOM 0 HZ PHE B 59 150.623 4.396 -2.998 1.00 0.37 H new ATOM 2340 N ARG B 60 150.385 7.260 -8.949 1.00 0.38 N ATOM 2341 CA ARG B 60 151.663 8.020 -8.851 1.00 0.39 C ATOM 2342 C ARG B 60 151.399 9.525 -8.859 1.00 0.40 C ATOM 2343 O ARG B 60 151.988 10.265 -8.094 1.00 0.39 O ATOM 2344 CB ARG B 60 152.588 7.659 -10.021 1.00 0.43 C ATOM 2345 CG ARG B 60 153.106 6.229 -9.851 1.00 0.44 C ATOM 2346 CD ARG B 60 154.072 5.887 -10.992 1.00 0.51 C ATOM 2347 NE ARG B 60 153.363 5.980 -12.299 1.00 1.31 N ATOM 2348 CZ ARG B 60 154.049 6.024 -13.408 1.00 1.54 C ATOM 2349 NH1 ARG B 60 155.354 6.002 -13.371 1.00 1.15 N ATOM 2350 NH2 ARG B 60 153.433 6.087 -14.555 1.00 2.64 N ATOM 0 H ARG B 60 150.291 6.665 -9.772 1.00 0.38 H new ATOM 0 HA ARG B 60 152.145 7.750 -7.911 1.00 0.39 H new ATOM 0 HB2 ARG B 60 152.049 7.751 -10.964 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.425 8.356 -10.063 1.00 0.43 H new ATOM 0 HG2 ARG B 60 153.612 6.128 -8.891 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.271 5.528 -9.847 1.00 0.44 H new ATOM 0 HD2 ARG B 60 154.921 6.571 -10.979 1.00 0.51 H new ATOM 0 HD3 ARG B 60 154.470 4.882 -10.855 1.00 0.51 H new ATOM 0 HE ARG B 60 152.344 6.009 -12.327 1.00 1.31 H new ATOM 0 HH11 ARG B 60 155.838 5.950 -12.475 1.00 1.15 H new ATOM 0 HH12 ARG B 60 155.889 6.036 -14.238 1.00 1.15 H new ATOM 0 HH21 ARG B 60 152.414 6.102 -14.586 1.00 2.64 H new ATOM 0 HH22 ARG B 60 153.970 6.121 -15.421 1.00 2.64 H new ATOM 2364 N GLU B 61 150.524 9.996 -9.705 1.00 0.42 N ATOM 2365 CA GLU B 61 150.240 11.458 -9.736 1.00 0.44 C ATOM 2366 C GLU B 61 149.611 11.882 -8.406 1.00 0.42 C ATOM 2367 O GLU B 61 149.901 12.940 -7.883 1.00 0.43 O ATOM 2368 CB GLU B 61 149.276 11.768 -10.883 1.00 0.48 C ATOM 2369 CG GLU B 61 149.153 13.285 -11.051 1.00 1.30 C ATOM 2370 CD GLU B 61 148.275 13.596 -12.263 1.00 1.77 C ATOM 2371 OE1 GLU B 61 147.930 12.668 -12.974 1.00 2.38 O ATOM 2372 OE2 GLU B 61 147.962 14.759 -12.461 1.00 2.33 O ATOM 0 H GLU B 61 149.996 9.434 -10.373 1.00 0.42 H new ATOM 0 HA GLU B 61 151.169 12.007 -9.889 1.00 0.44 H new ATOM 0 HB2 GLU B 61 149.637 11.317 -11.807 1.00 0.48 H new ATOM 0 HB3 GLU B 61 148.298 11.334 -10.677 1.00 0.48 H new ATOM 0 HG2 GLU B 61 148.721 13.727 -10.153 1.00 1.30 H new ATOM 0 HG3 GLU B 61 150.140 13.728 -11.181 1.00 1.30 H new ATOM 2379 N TRP B 62 148.754 11.070 -7.853 1.00 0.40 N ATOM 2380 CA TRP B 62 148.112 11.438 -6.557 1.00 0.39 C ATOM 2381 C TRP B 62 149.162 11.600 -5.457 1.00 0.36 C ATOM 2382 O TRP B 62 149.165 12.566 -4.724 1.00 0.36 O ATOM 2383 CB TRP B 62 147.123 10.342 -6.132 1.00 0.38 C ATOM 2384 CG TRP B 62 146.644 10.616 -4.735 1.00 0.36 C ATOM 2385 CD1 TRP B 62 145.678 11.500 -4.412 1.00 0.39 C ATOM 2386 CD2 TRP B 62 147.110 10.038 -3.477 1.00 0.34 C ATOM 2387 NE1 TRP B 62 145.512 11.501 -3.036 1.00 0.37 N ATOM 2388 CE2 TRP B 62 146.371 10.616 -2.415 1.00 0.34 C ATOM 2389 CE3 TRP B 62 148.088 9.075 -3.157 1.00 0.32 C ATOM 2390 CZ2 TRP B 62 146.596 10.255 -1.085 1.00 0.34 C ATOM 2391 CZ3 TRP B 62 148.314 8.709 -1.818 1.00 0.31 C ATOM 2392 CH2 TRP B 62 147.569 9.298 -0.786 1.00 0.32 C ATOM 0 H TRP B 62 148.470 10.170 -8.240 1.00 0.40 H new ATOM 0 HA TRP B 62 147.588 12.384 -6.698 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.277 10.314 -6.819 1.00 0.38 H new ATOM 0 HB3 TRP B 62 147.604 9.365 -6.178 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.124 12.108 -5.112 1.00 0.39 H new ATOM 0 HE1 TRP B 62 144.837 12.085 -2.542 1.00 0.37 H new ATOM 0 HE3 TRP B 62 148.667 8.616 -3.944 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.022 10.712 -0.293 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 149.066 7.970 -1.583 1.00 0.31 H new ATOM 0 HH2 TRP B 62 147.747 9.012 0.240 1.00 0.32 H new ATOM 2403 N LEU B 63 150.035 10.648 -5.323 1.00 0.34 N ATOM 2404 CA LEU B 63 151.066 10.732 -4.256 1.00 0.32 C ATOM 2405 C LEU B 63 152.033 11.877 -4.558 1.00 0.33 C ATOM 2406 O LEU B 63 152.314 12.705 -3.714 1.00 0.32 O ATOM 2407 CB LEU B 63 151.840 9.405 -4.209 1.00 0.31 C ATOM 2408 CG LEU B 63 152.856 9.410 -3.056 1.00 0.30 C ATOM 2409 CD1 LEU B 63 152.135 9.330 -1.701 1.00 0.30 C ATOM 2410 CD2 LEU B 63 153.792 8.205 -3.213 1.00 0.32 C ATOM 0 H LEU B 63 150.081 9.813 -5.907 1.00 0.34 H new ATOM 0 HA LEU B 63 150.586 10.918 -3.295 1.00 0.32 H new ATOM 0 HB2 LEU B 63 151.143 8.576 -4.083 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.357 9.246 -5.155 1.00 0.31 H new ATOM 0 HG LEU B 63 153.429 10.337 -3.088 1.00 0.30 H new ATOM 0 HD11 LEU B 63 152.871 9.335 -0.897 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.471 10.188 -1.591 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.551 8.411 -1.653 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.517 8.199 -2.399 1.00 0.32 H new ATOM 0 HD22 LEU B 63 153.208 7.285 -3.185 1.00 0.32 H new ATOM 0 HD23 LEU B 63 154.316 8.273 -4.166 1.00 0.32 H new ATOM 2422 N LYS B 64 152.541 11.930 -5.754 1.00 0.35 N ATOM 2423 CA LYS B 64 153.491 13.016 -6.115 1.00 0.37 C ATOM 2424 C LYS B 64 152.800 14.375 -5.994 1.00 0.38 C ATOM 2425 O LYS B 64 153.329 15.308 -5.425 1.00 0.38 O ATOM 2426 CB LYS B 64 153.991 12.812 -7.547 1.00 0.41 C ATOM 2427 CG LYS B 64 155.055 13.866 -7.867 1.00 0.43 C ATOM 2428 CD LYS B 64 155.571 13.657 -9.289 1.00 0.68 C ATOM 2429 CE LYS B 64 156.696 14.650 -9.569 1.00 1.24 C ATOM 2430 NZ LYS B 64 157.874 14.312 -8.719 1.00 2.10 N ATOM 0 H LYS B 64 152.339 11.265 -6.501 1.00 0.35 H new ATOM 0 HA LYS B 64 154.340 12.988 -5.432 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.409 11.811 -7.659 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.161 12.892 -8.249 1.00 0.41 H new ATOM 0 HG2 LYS B 64 154.633 14.866 -7.766 1.00 0.43 H new ATOM 0 HG3 LYS B 64 155.878 13.794 -7.156 1.00 0.43 H new ATOM 0 HD2 LYS B 64 155.933 12.636 -9.410 1.00 0.68 H new ATOM 0 HD3 LYS B 64 154.762 13.795 -10.006 1.00 0.68 H new ATOM 0 HE2 LYS B 64 156.972 14.617 -10.623 1.00 1.24 H new ATOM 0 HE3 LYS B 64 156.361 15.666 -9.359 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 158.732 14.726 -9.135 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 157.733 14.695 -7.762 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 157.979 13.279 -8.666 1.00 2.10 H new ATOM 2444 N ASP B 65 151.620 14.488 -6.530 1.00 0.41 N ATOM 2445 CA ASP B 65 150.881 15.779 -6.459 1.00 0.44 C ATOM 2446 C ASP B 65 150.449 16.053 -5.020 1.00 0.43 C ATOM 2447 O ASP B 65 150.322 17.188 -4.604 1.00 0.45 O ATOM 2448 CB ASP B 65 149.643 15.707 -7.355 1.00 0.48 C ATOM 2449 CG ASP B 65 149.018 17.099 -7.473 1.00 1.17 C ATOM 2450 OD1 ASP B 65 149.030 17.818 -6.488 1.00 1.90 O ATOM 2451 OD2 ASP B 65 148.545 17.424 -8.550 1.00 1.41 O ATOM 0 H ASP B 65 151.131 13.737 -7.018 1.00 0.41 H new ATOM 0 HA ASP B 65 151.534 16.584 -6.797 1.00 0.44 H new ATOM 0 HB2 ASP B 65 149.916 15.334 -8.342 1.00 0.48 H new ATOM 0 HB3 ASP B 65 148.920 15.006 -6.939 1.00 0.48 H new ATOM 2456 N THR B 66 150.187 15.021 -4.265 1.00 0.39 N ATOM 2457 CA THR B 66 149.723 15.216 -2.864 1.00 0.39 C ATOM 2458 C THR B 66 150.893 15.526 -1.928 1.00 0.38 C ATOM 2459 O THR B 66 150.719 16.239 -0.958 1.00 0.40 O ATOM 2460 CB THR B 66 149.012 13.948 -2.385 1.00 0.37 C ATOM 2461 OG1 THR B 66 147.841 13.745 -3.165 1.00 0.37 O ATOM 2462 CG2 THR B 66 148.623 14.097 -0.911 1.00 0.38 C ATOM 0 H THR B 66 150.275 14.049 -4.560 1.00 0.39 H new ATOM 0 HA THR B 66 149.038 16.064 -2.846 1.00 0.39 H new ATOM 0 HB THR B 66 149.681 13.094 -2.495 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.049 13.155 -3.919 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.117 13.192 -0.575 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.520 14.255 -0.312 1.00 0.38 H new ATOM 0 HG23 THR B 66 147.955 14.950 -0.796 1.00 0.38 H new ATOM 2470 N CYS B 67 152.069 14.985 -2.162 1.00 0.36 N ATOM 2471 CA CYS B 67 153.215 15.247 -1.228 1.00 0.37 C ATOM 2472 C CYS B 67 154.484 15.634 -1.988 1.00 0.37 C ATOM 2473 O CYS B 67 155.294 16.397 -1.501 1.00 0.39 O ATOM 2474 CB CYS B 67 153.489 13.976 -0.420 1.00 0.36 C ATOM 2475 SG CYS B 67 154.113 12.684 -1.524 1.00 0.36 S ATOM 0 H CYS B 67 152.284 14.378 -2.953 1.00 0.36 H new ATOM 0 HA CYS B 67 152.944 16.077 -0.575 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.216 14.181 0.365 1.00 0.36 H new ATOM 0 HB3 CYS B 67 152.576 13.640 0.071 1.00 0.36 H new ATOM 0 HG CYS B 67 153.217 12.414 -2.426 1.00 0.36 H new ATOM 2481 N GLY B 68 154.671 15.106 -3.174 1.00 0.35 N ATOM 2482 CA GLY B 68 155.897 15.428 -3.972 1.00 0.36 C ATOM 2483 C GLY B 68 156.803 14.196 -4.019 1.00 0.34 C ATOM 2484 O GLY B 68 157.968 14.286 -4.352 1.00 0.33 O ATOM 0 H GLY B 68 154.023 14.462 -3.626 1.00 0.35 H new ATOM 0 HA2 GLY B 68 155.620 15.729 -4.982 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.428 16.268 -3.523 1.00 0.36 H new ATOM 2488 N ALA B 69 156.284 13.042 -3.691 1.00 0.32 N ATOM 2489 CA ALA B 69 157.125 11.811 -3.723 1.00 0.31 C ATOM 2490 C ALA B 69 157.788 11.685 -5.097 1.00 0.31 C ATOM 2491 O ALA B 69 157.284 12.175 -6.088 1.00 0.32 O ATOM 2492 CB ALA B 69 156.253 10.581 -3.461 1.00 0.31 C ATOM 0 H ALA B 69 155.316 12.900 -3.403 1.00 0.32 H new ATOM 0 HA ALA B 69 157.892 11.877 -2.951 1.00 0.31 H new ATOM 0 HB1 ALA B 69 156.872 9.684 -3.485 1.00 0.31 H new ATOM 0 HB2 ALA B 69 155.782 10.671 -2.482 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.483 10.511 -4.229 1.00 0.31 H new ATOM 2498 N ASN B 70 158.916 11.030 -5.165 1.00 0.29 N ATOM 2499 CA ASN B 70 159.616 10.871 -6.475 1.00 0.29 C ATOM 2500 C ASN B 70 159.225 9.536 -7.112 1.00 0.29 C ATOM 2501 O ASN B 70 158.493 8.750 -6.545 1.00 0.29 O ATOM 2502 CB ASN B 70 161.131 10.903 -6.260 1.00 0.29 C ATOM 2503 CG ASN B 70 161.540 12.253 -5.669 1.00 1.07 C ATOM 2504 OD1 ASN B 70 161.140 13.292 -6.161 1.00 1.91 O ATOM 2505 ND2 ASN B 70 162.333 12.286 -4.634 1.00 1.78 N ATOM 0 H ASN B 70 159.385 10.597 -4.369 1.00 0.29 H new ATOM 0 HA ASN B 70 159.325 11.689 -7.134 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.430 10.097 -5.590 1.00 0.29 H new ATOM 0 HB3 ASN B 70 161.646 10.739 -7.207 1.00 0.29 H new ATOM 0 HD21 ASN B 70 162.617 13.182 -4.238 1.00 1.78 H new ATOM 0 HD22 ASN B 70 162.669 11.416 -4.221 1.00 1.78 H new ATOM 2512 N ALA B 71 159.701 9.291 -8.300 1.00 0.31 N ATOM 2513 CA ALA B 71 159.361 8.025 -9.009 1.00 0.33 C ATOM 2514 C ALA B 71 159.834 6.800 -8.217 1.00 0.31 C ATOM 2515 O ALA B 71 159.199 5.768 -8.235 1.00 0.31 O ATOM 2516 CB ALA B 71 160.036 8.021 -10.381 1.00 0.38 C ATOM 0 H ALA B 71 160.317 9.919 -8.816 1.00 0.31 H new ATOM 0 HA ALA B 71 158.277 7.972 -9.114 1.00 0.33 H new ATOM 0 HB1 ALA B 71 159.791 7.097 -10.904 1.00 0.38 H new ATOM 0 HB2 ALA B 71 159.683 8.872 -10.963 1.00 0.38 H new ATOM 0 HB3 ALA B 71 161.116 8.091 -10.255 1.00 0.38 H new ATOM 2522 N LYS B 72 160.949 6.881 -7.541 1.00 0.29 N ATOM 2523 CA LYS B 72 161.430 5.681 -6.793 1.00 0.28 C ATOM 2524 C LYS B 72 160.527 5.398 -5.591 1.00 0.26 C ATOM 2525 O LYS B 72 160.197 4.264 -5.305 1.00 0.26 O ATOM 2526 CB LYS B 72 162.866 5.923 -6.322 1.00 0.28 C ATOM 2527 CG LYS B 72 163.422 4.652 -5.675 1.00 1.18 C ATOM 2528 CD LYS B 72 164.883 4.879 -5.285 1.00 1.28 C ATOM 2529 CE LYS B 72 165.433 3.635 -4.582 1.00 2.10 C ATOM 2530 NZ LYS B 72 165.390 2.472 -5.512 1.00 2.57 N ATOM 0 H LYS B 72 161.539 7.710 -7.474 1.00 0.29 H new ATOM 0 HA LYS B 72 161.401 4.815 -7.454 1.00 0.28 H new ATOM 0 HB2 LYS B 72 163.491 6.215 -7.166 1.00 0.28 H new ATOM 0 HB3 LYS B 72 162.890 6.746 -5.608 1.00 0.28 H new ATOM 0 HG2 LYS B 72 162.835 4.392 -4.794 1.00 1.18 H new ATOM 0 HG3 LYS B 72 163.345 3.814 -6.368 1.00 1.18 H new ATOM 0 HD2 LYS B 72 165.476 5.098 -6.173 1.00 1.28 H new ATOM 0 HD3 LYS B 72 164.963 5.745 -4.627 1.00 1.28 H new ATOM 0 HE2 LYS B 72 166.457 3.813 -4.255 1.00 2.10 H new ATOM 0 HE3 LYS B 72 164.846 3.421 -3.689 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 166.011 1.718 -5.154 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 164.415 2.116 -5.577 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 165.714 2.769 -6.455 1.00 2.57 H new ATOM 2544 N GLN B 73 160.142 6.413 -4.874 1.00 0.25 N ATOM 2545 CA GLN B 73 159.280 6.203 -3.678 1.00 0.24 C ATOM 2546 C GLN B 73 157.886 5.723 -4.084 1.00 0.25 C ATOM 2547 O GLN B 73 157.298 4.885 -3.428 1.00 0.25 O ATOM 2548 CB GLN B 73 159.178 7.515 -2.892 1.00 0.26 C ATOM 2549 CG GLN B 73 160.463 7.731 -2.084 1.00 0.28 C ATOM 2550 CD GLN B 73 161.674 7.701 -3.018 1.00 1.25 C ATOM 2551 OE1 GLN B 73 161.682 8.352 -4.043 1.00 2.12 O ATOM 2552 NE2 GLN B 73 162.704 6.965 -2.702 1.00 1.89 N ATOM 0 H GLN B 73 160.388 7.384 -5.065 1.00 0.25 H new ATOM 0 HA GLN B 73 159.730 5.433 -3.051 1.00 0.24 H new ATOM 0 HB2 GLN B 73 159.022 8.349 -3.576 1.00 0.26 H new ATOM 0 HB3 GLN B 73 158.317 7.485 -2.224 1.00 0.26 H new ATOM 0 HG2 GLN B 73 160.419 8.687 -1.562 1.00 0.28 H new ATOM 0 HG3 GLN B 73 160.560 6.956 -1.323 1.00 0.28 H new ATOM 0 HE21 GLN B 73 162.696 6.419 -1.841 1.00 1.89 H new ATOM 0 HE22 GLN B 73 163.518 6.936 -3.316 1.00 1.89 H new ATOM 2561 N SER B 74 157.341 6.251 -5.143 1.00 0.26 N ATOM 2562 CA SER B 74 155.981 5.822 -5.556 1.00 0.27 C ATOM 2563 C SER B 74 156.011 4.367 -6.034 1.00 0.26 C ATOM 2564 O SER B 74 155.095 3.612 -5.776 1.00 0.26 O ATOM 2565 CB SER B 74 155.466 6.732 -6.676 1.00 0.30 C ATOM 2566 OG SER B 74 154.045 6.697 -6.684 1.00 1.36 O ATOM 0 H SER B 74 157.777 6.957 -5.736 1.00 0.26 H new ATOM 0 HA SER B 74 155.310 5.897 -4.700 1.00 0.27 H new ATOM 0 HB2 SER B 74 155.817 7.753 -6.523 1.00 0.30 H new ATOM 0 HB3 SER B 74 155.856 6.402 -7.639 1.00 0.30 H new ATOM 0 HG SER B 74 153.695 7.559 -6.375 1.00 1.36 H new ATOM 2572 N ARG B 75 157.045 3.955 -6.726 1.00 0.27 N ATOM 2573 CA ARG B 75 157.100 2.543 -7.203 1.00 0.27 C ATOM 2574 C ARG B 75 157.084 1.589 -6.009 1.00 0.26 C ATOM 2575 O ARG B 75 156.484 0.535 -6.070 1.00 0.26 O ATOM 2576 CB ARG B 75 158.359 2.321 -8.042 1.00 0.29 C ATOM 2577 CG ARG B 75 158.203 3.046 -9.382 1.00 0.32 C ATOM 2578 CD ARG B 75 159.509 2.958 -10.167 1.00 0.61 C ATOM 2579 NE ARG B 75 159.882 1.527 -10.348 1.00 1.35 N ATOM 2580 CZ ARG B 75 160.778 1.191 -11.233 1.00 1.82 C ATOM 2581 NH1 ARG B 75 161.325 2.104 -11.986 1.00 1.89 N ATOM 2582 NH2 ARG B 75 161.123 -0.059 -11.369 1.00 2.81 N ATOM 0 H ARG B 75 157.847 4.533 -6.979 1.00 0.27 H new ATOM 0 HA ARG B 75 156.227 2.343 -7.824 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.235 2.695 -7.512 1.00 0.29 H new ATOM 0 HB3 ARG B 75 158.518 1.255 -8.207 1.00 0.29 H new ATOM 0 HG2 ARG B 75 157.391 2.600 -9.956 1.00 0.32 H new ATOM 0 HG3 ARG B 75 157.938 4.090 -9.214 1.00 0.32 H new ATOM 0 HD2 ARG B 75 159.396 3.441 -11.137 1.00 0.61 H new ATOM 0 HD3 ARG B 75 160.301 3.488 -9.637 1.00 0.61 H new ATOM 0 HE ARG B 75 159.435 0.809 -9.778 1.00 1.35 H new ATOM 0 HH11 ARG B 75 161.052 3.081 -11.883 1.00 1.89 H new ATOM 0 HH12 ARG B 75 162.026 1.841 -12.679 1.00 1.89 H new ATOM 0 HH21 ARG B 75 160.692 -0.774 -10.783 1.00 2.81 H new ATOM 0 HH22 ARG B 75 161.824 -0.322 -12.062 1.00 2.81 H new ATOM 2596 N ASP B 76 157.747 1.912 -4.930 1.00 0.24 N ATOM 2597 CA ASP B 76 157.772 0.992 -3.761 1.00 0.24 C ATOM 2598 C ASP B 76 156.391 0.918 -3.115 1.00 0.22 C ATOM 2599 O ASP B 76 155.947 -0.136 -2.705 1.00 0.22 O ATOM 2600 CB ASP B 76 158.782 1.504 -2.731 1.00 0.23 C ATOM 2601 CG ASP B 76 160.202 1.330 -3.275 1.00 0.25 C ATOM 2602 OD1 ASP B 76 160.359 0.618 -4.254 1.00 0.40 O ATOM 2603 OD2 ASP B 76 161.108 1.910 -2.700 1.00 0.39 O ATOM 0 H ASP B 76 158.274 2.777 -4.810 1.00 0.24 H new ATOM 0 HA ASP B 76 158.060 -0.002 -4.102 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.592 2.555 -2.511 1.00 0.23 H new ATOM 0 HB3 ASP B 76 158.671 0.957 -1.795 1.00 0.23 H new ATOM 2608 N CYS B 77 155.698 2.020 -3.015 1.00 0.22 N ATOM 2609 CA CYS B 77 154.347 1.985 -2.392 1.00 0.21 C ATOM 2610 C CYS B 77 153.380 1.244 -3.314 1.00 0.22 C ATOM 2611 O CYS B 77 152.541 0.491 -2.866 1.00 0.21 O ATOM 2612 CB CYS B 77 153.850 3.416 -2.202 1.00 0.22 C ATOM 2613 SG CYS B 77 154.825 4.228 -0.916 1.00 0.23 S ATOM 0 H CYS B 77 156.008 2.937 -3.336 1.00 0.22 H new ATOM 0 HA CYS B 77 154.401 1.475 -1.430 1.00 0.21 H new ATOM 0 HB2 CYS B 77 153.932 3.968 -3.138 1.00 0.22 H new ATOM 0 HB3 CYS B 77 152.796 3.412 -1.926 1.00 0.22 H new ATOM 0 HG CYS B 77 155.450 3.330 -0.213 1.00 0.23 H new ATOM 2619 N PHE B 78 153.474 1.461 -4.595 1.00 0.23 N ATOM 2620 CA PHE B 78 152.535 0.778 -5.522 1.00 0.25 C ATOM 2621 C PHE B 78 152.687 -0.736 -5.372 1.00 0.24 C ATOM 2622 O PHE B 78 151.751 -1.436 -5.041 1.00 0.23 O ATOM 2623 CB PHE B 78 152.867 1.195 -6.958 1.00 0.28 C ATOM 2624 CG PHE B 78 151.847 0.620 -7.911 1.00 0.32 C ATOM 2625 CD1 PHE B 78 150.676 1.333 -8.189 1.00 0.36 C ATOM 2626 CD2 PHE B 78 152.075 -0.617 -8.523 1.00 0.38 C ATOM 2627 CE1 PHE B 78 149.730 0.809 -9.077 1.00 0.40 C ATOM 2628 CE2 PHE B 78 151.129 -1.143 -9.411 1.00 0.43 C ATOM 2629 CZ PHE B 78 149.957 -0.430 -9.687 1.00 0.42 C ATOM 0 H PHE B 78 154.156 2.078 -5.037 1.00 0.23 H new ATOM 0 HA PHE B 78 151.508 1.058 -5.289 1.00 0.25 H new ATOM 0 HB2 PHE B 78 152.878 2.282 -7.037 1.00 0.28 H new ATOM 0 HB3 PHE B 78 153.864 0.846 -7.226 1.00 0.28 H new ATOM 0 HD1 PHE B 78 150.502 2.289 -7.718 1.00 0.36 H new ATOM 0 HD2 PHE B 78 152.980 -1.166 -8.311 1.00 0.38 H new ATOM 0 HE1 PHE B 78 148.826 1.360 -9.291 1.00 0.40 H new ATOM 0 HE2 PHE B 78 151.304 -2.099 -9.883 1.00 0.43 H new ATOM 0 HZ PHE B 78 149.227 -0.836 -10.371 1.00 0.42 H new ATOM 2639 N GLY B 79 153.860 -1.247 -5.625 1.00 0.25 N ATOM 2640 CA GLY B 79 154.087 -2.717 -5.514 1.00 0.25 C ATOM 2641 C GLY B 79 153.891 -3.186 -4.067 1.00 0.23 C ATOM 2642 O GLY B 79 153.436 -4.283 -3.820 1.00 0.24 O ATOM 0 H GLY B 79 154.678 -0.706 -5.906 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.397 -3.247 -6.170 1.00 0.25 H new ATOM 0 HA3 GLY B 79 155.096 -2.961 -5.848 1.00 0.25 H new ATOM 2646 N CYS B 80 154.229 -2.369 -3.110 1.00 0.22 N ATOM 2647 CA CYS B 80 154.055 -2.782 -1.686 1.00 0.21 C ATOM 2648 C CYS B 80 152.570 -2.805 -1.338 1.00 0.21 C ATOM 2649 O CYS B 80 152.075 -3.752 -0.757 1.00 0.22 O ATOM 2650 CB CYS B 80 154.785 -1.796 -0.775 1.00 0.22 C ATOM 2651 SG CYS B 80 154.578 -2.300 0.951 1.00 0.24 S ATOM 0 H CYS B 80 154.617 -1.436 -3.249 1.00 0.22 H new ATOM 0 HA CYS B 80 154.472 -3.779 -1.544 1.00 0.21 H new ATOM 0 HB2 CYS B 80 155.844 -1.764 -1.031 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.391 -0.790 -0.921 1.00 0.22 H new ATOM 0 HG CYS B 80 155.493 -3.170 1.262 1.00 0.24 H new ATOM 2657 N LEU B 81 151.847 -1.787 -1.709 1.00 0.21 N ATOM 2658 CA LEU B 81 150.388 -1.791 -1.417 1.00 0.21 C ATOM 2659 C LEU B 81 149.724 -2.848 -2.305 1.00 0.21 C ATOM 2660 O LEU B 81 148.836 -3.561 -1.882 1.00 0.22 O ATOM 2661 CB LEU B 81 149.808 -0.407 -1.735 1.00 0.22 C ATOM 2662 CG LEU B 81 150.455 0.660 -0.828 1.00 0.24 C ATOM 2663 CD1 LEU B 81 150.288 2.042 -1.464 1.00 0.29 C ATOM 2664 CD2 LEU B 81 149.775 0.671 0.547 1.00 0.28 C ATOM 0 H LEU B 81 152.197 -0.962 -2.196 1.00 0.21 H new ATOM 0 HA LEU B 81 150.208 -2.021 -0.367 1.00 0.21 H new ATOM 0 HB2 LEU B 81 149.986 -0.162 -2.782 1.00 0.22 H new ATOM 0 HB3 LEU B 81 148.728 -0.414 -1.588 1.00 0.22 H new ATOM 0 HG LEU B 81 151.512 0.422 -0.711 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.745 2.795 -0.823 1.00 0.29 H new ATOM 0 HD12 LEU B 81 150.772 2.054 -2.440 1.00 0.29 H new ATOM 0 HD13 LEU B 81 149.227 2.262 -1.583 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.241 1.428 1.177 1.00 0.28 H new ATOM 0 HD22 LEU B 81 148.716 0.900 0.427 1.00 0.28 H new ATOM 0 HD23 LEU B 81 149.884 -0.308 1.015 1.00 0.28 H new ATOM 2676 N ARG B 82 150.146 -2.946 -3.538 1.00 0.22 N ATOM 2677 CA ARG B 82 149.538 -3.951 -4.459 1.00 0.24 C ATOM 2678 C ARG B 82 149.842 -5.370 -3.969 1.00 0.25 C ATOM 2679 O ARG B 82 149.002 -6.247 -4.036 1.00 0.26 O ATOM 2680 CB ARG B 82 150.087 -3.758 -5.879 1.00 0.28 C ATOM 2681 CG ARG B 82 149.407 -4.752 -6.829 1.00 0.32 C ATOM 2682 CD ARG B 82 149.933 -4.557 -8.253 1.00 0.85 C ATOM 2683 NE ARG B 82 149.224 -5.497 -9.170 1.00 1.42 N ATOM 2684 CZ ARG B 82 149.309 -5.345 -10.464 1.00 1.96 C ATOM 2685 NH1 ARG B 82 150.033 -4.383 -10.963 1.00 2.26 N ATOM 2686 NH2 ARG B 82 148.673 -6.163 -11.259 1.00 2.74 N ATOM 0 H ARG B 82 150.885 -2.374 -3.947 1.00 0.22 H new ATOM 0 HA ARG B 82 148.457 -3.808 -4.472 1.00 0.24 H new ATOM 0 HB2 ARG B 82 149.907 -2.737 -6.214 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.166 -3.911 -5.887 1.00 0.28 H new ATOM 0 HG2 ARG B 82 149.598 -5.773 -6.498 1.00 0.32 H new ATOM 0 HG3 ARG B 82 148.327 -4.607 -6.808 1.00 0.32 H new ATOM 0 HD2 ARG B 82 149.775 -3.528 -8.574 1.00 0.85 H new ATOM 0 HD3 ARG B 82 151.007 -4.739 -8.285 1.00 0.85 H new ATOM 0 HE ARG B 82 148.670 -6.262 -8.784 1.00 1.42 H new ATOM 0 HH11 ARG B 82 150.534 -3.747 -10.342 1.00 2.26 H new ATOM 0 HH12 ARG B 82 150.098 -4.266 -11.974 1.00 2.26 H new ATOM 0 HH21 ARG B 82 148.111 -6.919 -10.869 1.00 2.74 H new ATOM 0 HH22 ARG B 82 148.738 -6.045 -12.270 1.00 2.74 H new ATOM 2700 N GLU B 83 151.034 -5.612 -3.493 1.00 0.25 N ATOM 2701 CA GLU B 83 151.384 -6.984 -3.021 1.00 0.27 C ATOM 2702 C GLU B 83 150.601 -7.328 -1.753 1.00 0.27 C ATOM 2703 O GLU B 83 150.126 -8.435 -1.605 1.00 0.28 O ATOM 2704 CB GLU B 83 152.895 -7.075 -2.748 1.00 0.29 C ATOM 2705 CG GLU B 83 153.643 -7.274 -4.072 1.00 0.33 C ATOM 2706 CD GLU B 83 155.145 -7.360 -3.806 1.00 1.20 C ATOM 2707 OE1 GLU B 83 155.627 -8.459 -3.587 1.00 1.57 O ATOM 2708 OE2 GLU B 83 155.787 -6.326 -3.823 1.00 1.91 O ATOM 0 H GLU B 83 151.780 -4.921 -3.410 1.00 0.25 H new ATOM 0 HA GLU B 83 151.118 -7.700 -3.799 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.242 -6.167 -2.255 1.00 0.29 H new ATOM 0 HB3 GLU B 83 153.104 -7.904 -2.072 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.298 -8.184 -4.563 1.00 0.33 H new ATOM 0 HG3 GLU B 83 153.430 -6.447 -4.749 1.00 0.33 H new ATOM 2715 N TRP B 84 150.428 -6.409 -0.841 1.00 0.25 N ATOM 2716 CA TRP B 84 149.646 -6.746 0.378 1.00 0.25 C ATOM 2717 C TRP B 84 148.238 -7.144 -0.073 1.00 0.26 C ATOM 2718 O TRP B 84 147.661 -8.098 0.408 1.00 0.28 O ATOM 2719 CB TRP B 84 149.570 -5.530 1.304 1.00 0.25 C ATOM 2720 CG TRP B 84 148.811 -5.902 2.538 1.00 0.27 C ATOM 2721 CD1 TRP B 84 149.368 -6.391 3.668 1.00 0.30 C ATOM 2722 CD2 TRP B 84 147.374 -5.844 2.783 1.00 0.29 C ATOM 2723 NE1 TRP B 84 148.370 -6.629 4.594 1.00 0.32 N ATOM 2724 CE2 TRP B 84 147.124 -6.308 4.095 1.00 0.32 C ATOM 2725 CE3 TRP B 84 146.280 -5.435 2.003 1.00 0.31 C ATOM 2726 CZ2 TRP B 84 145.832 -6.366 4.618 1.00 0.35 C ATOM 2727 CZ3 TRP B 84 144.976 -5.491 2.523 1.00 0.35 C ATOM 2728 CH2 TRP B 84 144.753 -5.956 3.830 1.00 0.36 C ATOM 0 H TRP B 84 150.788 -5.456 -0.887 1.00 0.25 H new ATOM 0 HA TRP B 84 150.121 -7.561 0.923 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.573 -5.194 1.566 1.00 0.25 H new ATOM 0 HB3 TRP B 84 149.078 -4.700 0.796 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.422 -6.567 3.822 1.00 0.30 H new ATOM 0 HE1 TRP B 84 148.534 -6.997 5.531 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.442 -5.075 0.998 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 145.667 -6.725 5.623 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 144.141 -5.175 1.915 1.00 0.35 H new ATOM 0 HH2 TRP B 84 143.749 -5.997 4.225 1.00 0.36 H new ATOM 2739 N CYS B 85 147.690 -6.418 -1.006 1.00 0.27 N ATOM 2740 CA CYS B 85 146.328 -6.742 -1.510 1.00 0.30 C ATOM 2741 C CYS B 85 146.330 -8.154 -2.098 1.00 0.33 C ATOM 2742 O CYS B 85 145.404 -8.920 -1.920 1.00 0.36 O ATOM 2743 CB CYS B 85 145.948 -5.732 -2.597 1.00 0.33 C ATOM 2744 SG CYS B 85 145.578 -4.134 -1.832 1.00 0.33 S ATOM 0 H CYS B 85 148.130 -5.609 -1.444 1.00 0.27 H new ATOM 0 HA CYS B 85 145.606 -6.692 -0.695 1.00 0.30 H new ATOM 0 HB2 CYS B 85 146.765 -5.625 -3.311 1.00 0.33 H new ATOM 0 HB3 CYS B 85 145.082 -6.090 -3.154 1.00 0.33 H new ATOM 0 HG CYS B 85 146.684 -3.480 -1.637 1.00 0.33 H new ATOM 2750 N ASP B 86 147.370 -8.501 -2.794 1.00 0.34 N ATOM 2751 CA ASP B 86 147.446 -9.855 -3.402 1.00 0.40 C ATOM 2752 C ASP B 86 147.360 -10.923 -2.306 1.00 0.41 C ATOM 2753 O ASP B 86 146.829 -11.994 -2.514 1.00 0.43 O ATOM 2754 CB ASP B 86 148.771 -10.001 -4.153 1.00 0.42 C ATOM 2755 CG ASP B 86 148.751 -9.117 -5.401 1.00 0.43 C ATOM 2756 OD1 ASP B 86 147.675 -8.897 -5.930 1.00 0.55 O ATOM 2757 OD2 ASP B 86 149.813 -8.672 -5.804 1.00 0.52 O ATOM 0 H ASP B 86 148.177 -7.902 -2.970 1.00 0.34 H new ATOM 0 HA ASP B 86 146.615 -9.985 -4.095 1.00 0.40 H new ATOM 0 HB2 ASP B 86 149.601 -9.716 -3.506 1.00 0.42 H new ATOM 0 HB3 ASP B 86 148.929 -11.042 -4.434 1.00 0.42 H new ATOM 2762 N ALA B 87 147.896 -10.648 -1.144 1.00 0.40 N ATOM 2763 CA ALA B 87 147.860 -11.662 -0.042 1.00 0.43 C ATOM 2764 C ALA B 87 146.626 -11.467 0.852 1.00 0.43 C ATOM 2765 O ALA B 87 146.079 -12.422 1.367 1.00 0.47 O ATOM 2766 CB ALA B 87 149.123 -11.522 0.810 1.00 0.40 C ATOM 0 H ALA B 87 148.356 -9.768 -0.909 1.00 0.40 H new ATOM 0 HA ALA B 87 147.809 -12.655 -0.489 1.00 0.43 H new ATOM 0 HB1 ALA B 87 149.103 -12.258 1.614 1.00 0.40 H new ATOM 0 HB2 ALA B 87 150.002 -11.689 0.188 1.00 0.40 H new ATOM 0 HB3 ALA B 87 149.165 -10.520 1.236 1.00 0.40 H new ATOM 2772 N PHE B 88 146.205 -10.243 1.070 1.00 0.39 N ATOM 2773 CA PHE B 88 145.023 -9.987 1.968 1.00 0.44 C ATOM 2774 C PHE B 88 143.791 -9.559 1.170 1.00 0.54 C ATOM 2775 O PHE B 88 142.764 -9.250 1.739 1.00 1.24 O ATOM 2776 CB PHE B 88 145.371 -8.878 2.962 1.00 0.41 C ATOM 2777 CG PHE B 88 146.465 -9.353 3.884 1.00 0.38 C ATOM 2778 CD1 PHE B 88 146.135 -10.025 5.066 1.00 0.43 C ATOM 2779 CD2 PHE B 88 147.806 -9.124 3.560 1.00 0.35 C ATOM 2780 CE1 PHE B 88 147.147 -10.466 5.924 1.00 0.46 C ATOM 2781 CE2 PHE B 88 148.818 -9.563 4.418 1.00 0.39 C ATOM 2782 CZ PHE B 88 148.487 -10.234 5.600 1.00 0.44 C ATOM 0 H PHE B 88 146.627 -9.407 0.666 1.00 0.39 H new ATOM 0 HA PHE B 88 144.793 -10.916 2.489 1.00 0.44 H new ATOM 0 HB2 PHE B 88 145.694 -7.984 2.428 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.488 -8.603 3.539 1.00 0.41 H new ATOM 0 HD1 PHE B 88 145.099 -10.203 5.315 1.00 0.43 H new ATOM 0 HD2 PHE B 88 148.060 -8.608 2.646 1.00 0.35 H new ATOM 0 HE1 PHE B 88 146.894 -10.985 6.836 1.00 0.46 H new ATOM 0 HE2 PHE B 88 149.854 -9.385 4.169 1.00 0.39 H new ATOM 0 HZ PHE B 88 149.268 -10.574 6.264 1.00 0.44 H new ATOM 2792 N LEU B 89 143.878 -9.510 -0.132 1.00 0.39 N ATOM 2793 CA LEU B 89 142.699 -9.068 -0.944 1.00 0.36 C ATOM 2794 C LEU B 89 142.627 -9.899 -2.229 1.00 0.87 C ATOM 2795 O LEU B 89 141.715 -10.703 -2.339 1.00 1.43 O ATOM 2796 CB LEU B 89 142.884 -7.586 -1.297 1.00 0.74 C ATOM 2797 CG LEU B 89 141.545 -6.955 -1.720 1.00 0.47 C ATOM 2798 CD1 LEU B 89 140.723 -6.552 -0.488 1.00 1.00 C ATOM 2799 CD2 LEU B 89 141.821 -5.703 -2.559 1.00 1.27 C ATOM 2800 OXT LEU B 89 143.482 -9.717 -3.080 1.00 1.67 O ATOM 0 H LEU B 89 144.709 -9.755 -0.670 1.00 0.39 H new ATOM 0 HA LEU B 89 141.777 -9.205 -0.379 1.00 0.36 H new ATOM 0 HB2 LEU B 89 143.289 -7.050 -0.438 1.00 0.74 H new ATOM 0 HB3 LEU B 89 143.609 -7.487 -2.105 1.00 0.74 H new ATOM 0 HG LEU B 89 140.983 -7.687 -2.299 1.00 0.47 H new ATOM 0 HD11 LEU B 89 139.781 -6.108 -0.809 1.00 1.00 H new ATOM 0 HD12 LEU B 89 140.521 -7.435 0.119 1.00 1.00 H new ATOM 0 HD13 LEU B 89 141.283 -5.827 0.102 1.00 1.00 H new ATOM 0 HD21 LEU B 89 140.876 -5.252 -2.861 1.00 1.27 H new ATOM 0 HD22 LEU B 89 142.392 -4.987 -1.968 1.00 1.27 H new ATOM 0 HD23 LEU B 89 142.392 -5.978 -3.446 1.00 1.27 H new TER 2812 LEU B 89