USER MOD reduce.3.24.130724 H: found=0, std=0, add=1402, rem=0, adj=42 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 72 LYS NZ :NH3+ 161:sc= -3.89! (180deg=-1.64) USER MOD Set 1.2: B 73 GLN : amide:sc= -3.66! K(o=-7.5!,f=-1) USER MOD Set 2.1: B 1 MET N :NH3+ -161:sc= -0.0324 (180deg=-0.509) USER MOD Set 2.2: B 3 THR OG1 : rot -130:sc= -1.69 USER MOD Set 2.3: B 7 HIS : no HD1:sc= -0.724 K(o=-2.4,f=-1.8) USER MOD Set 3.1: A 72 LYS NZ :NH3+ 156:sc= -3.88! (180deg=-1.65) USER MOD Set 3.2: A 73 GLN : amide:sc= -3.64! K(o=-7.5!,f=-0.89) USER MOD Set 4.1: A 1 MET N :NH3+ -162:sc= -0.0333 (180deg=-0.492) USER MOD Set 4.2: A 3 THR OG1 : rot -130:sc= -1.68 USER MOD Set 4.3: A 7 HIS : no HD1:sc= -0.613 X(o=-2.3,f=-1.8) USER MOD Single : A 1 MET CE :methyl 155:sc= -0.211 (180deg=-1.14) USER MOD Single : A 2 THR OG1 : rot 8:sc= 0.968 USER MOD Single : A 4 SER OG : rot 180:sc= -0.0271 USER MOD Single : A 5 GLN : amide:sc= -0.195 K(o=-0.19,f=-0.8) USER MOD Single : A 6 LYS NZ :NH3+ -130:sc= -0.0224 (180deg=-0.409) USER MOD Single : A 15 MET CE :methyl -149:sc= -7.49! (180deg=-13.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 160:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 139:sc= -0.0768 (180deg=-0.709) USER MOD Single : A 33 LYS NZ :NH3+ 137:sc= -1.22 (180deg=-2.85!) USER MOD Single : A 41 LYS NZ :NH3+ 152:sc= -0.116 (180deg=-1.1) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.531 USER MOD Single : A 48 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.37) USER MOD Single : A 53 LYS NZ :NH3+ -170:sc= -2.05 (180deg=-2.31!) USER MOD Single : A 54 LYS NZ :NH3+ -166:sc= -0.39 (180deg=-0.801) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 99:sc= 0.876 USER MOD Single : A 67 CYS SG : rot -60:sc= 0.939 USER MOD Single : A 70 ASN : amide:sc=-0.00437 X(o=-0.0044,f=0) USER MOD Single : A 74 SER OG : rot -57:sc= 0.143 USER MOD Single : A 77 CYS SG : rot -2:sc= -0.788 USER MOD Single : A 80 CYS SG : rot -140:sc= -0.149 USER MOD Single : A 85 CYS SG : rot 170:sc= -1.35 USER MOD Single : B 1 MET CE :methyl 155:sc= -0.223 (180deg=-1.17) USER MOD Single : B 2 THR OG1 : rot 8:sc= 0.867! USER MOD Single : B 4 SER OG : rot 180:sc= -0.0239 USER MOD Single : B 5 GLN : amide:sc= -0.23 K(o=-0.23,f=-0.84) USER MOD Single : B 6 LYS NZ :NH3+ -131:sc= -0.0165 (180deg=-0.404) USER MOD Single : B 15 MET CE :methyl -149:sc= -7.38! (180deg=-13.5!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 SER OG : rot 160:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 139:sc= -0.117 (180deg=-0.821) USER MOD Single : B 33 LYS NZ :NH3+ 137:sc= -1.35 (180deg=-3.02!) USER MOD Single : B 41 LYS NZ :NH3+ 128:sc= -0.137 (180deg=-1.18) USER MOD Single : B 43 TYR OH : rot 180:sc= -0.294 USER MOD Single : B 48 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.36) USER MOD Single : B 53 LYS NZ :NH3+ -176:sc= -2.55! (180deg=-2.61!) USER MOD Single : B 54 LYS NZ :NH3+ -164:sc= -0.355 (180deg=-0.737) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 THR OG1 : rot 70:sc= 0.84 USER MOD Single : B 67 CYS SG : rot -47:sc= 1.06 USER MOD Single : B 70 ASN : amide:sc=-0.00152 X(o=-0.0015,f=0) USER MOD Single : B 74 SER OG : rot -59:sc= 0.143 USER MOD Single : B 77 CYS SG : rot -24:sc= -0.8 USER MOD Single : B 80 CYS SG : rot -140:sc= -0.143 USER MOD Single : B 85 CYS SG : rot 175:sc= -1.35 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 124.275 -9.439 11.301 1.00 3.75 N ATOM 2 CA MET A 1 124.136 -10.887 11.625 1.00 3.27 C ATOM 3 C MET A 1 122.811 -11.399 11.057 1.00 2.28 C ATOM 4 O MET A 1 122.729 -12.489 10.528 1.00 2.68 O ATOM 5 CB MET A 1 124.159 -11.066 13.144 1.00 3.76 C ATOM 6 CG MET A 1 125.559 -10.731 13.667 1.00 4.33 C ATOM 7 SD MET A 1 125.607 -10.938 15.466 1.00 5.05 S ATOM 8 CE MET A 1 125.378 -12.732 15.513 1.00 5.68 C ATOM 0 H1 MET A 1 125.270 -9.155 11.402 1.00 3.75 H new ATOM 0 H2 MET A 1 123.964 -9.271 10.323 1.00 3.75 H new ATOM 0 H3 MET A 1 123.688 -8.880 11.952 1.00 3.75 H new ATOM 0 HA MET A 1 124.959 -11.451 11.186 1.00 3.27 H new ATOM 0 HB2 MET A 1 123.418 -10.417 13.610 1.00 3.76 H new ATOM 0 HB3 MET A 1 123.895 -12.091 13.406 1.00 3.76 H new ATOM 0 HG2 MET A 1 126.298 -11.380 13.197 1.00 4.33 H new ATOM 0 HG3 MET A 1 125.821 -9.706 13.402 1.00 4.33 H new ATOM 0 HE1 MET A 1 125.803 -13.129 16.435 1.00 5.68 H new ATOM 0 HE2 MET A 1 124.314 -12.964 15.475 1.00 5.68 H new ATOM 0 HE3 MET A 1 125.879 -13.185 14.658 1.00 5.68 H new ATOM 20 N THR A 2 121.775 -10.609 11.146 1.00 1.63 N ATOM 21 CA THR A 2 120.458 -11.035 10.595 1.00 1.44 C ATOM 22 C THR A 2 120.420 -10.671 9.111 1.00 1.17 C ATOM 23 O THR A 2 119.404 -10.775 8.454 1.00 1.22 O ATOM 24 CB THR A 2 119.331 -10.300 11.331 1.00 2.22 C ATOM 25 OG1 THR A 2 118.135 -10.387 10.568 1.00 2.76 O ATOM 26 CG2 THR A 2 119.711 -8.828 11.521 1.00 3.02 C ATOM 0 H THR A 2 121.785 -9.685 11.578 1.00 1.63 H new ATOM 0 HA THR A 2 120.325 -12.109 10.725 1.00 1.44 H new ATOM 0 HB THR A 2 119.176 -10.760 12.307 1.00 2.22 H new ATOM 0 HG1 THR A 2 118.272 -10.997 9.813 1.00 2.76 H new ATOM 0 HG21 THR A 2 118.908 -8.309 12.044 1.00 3.02 H new ATOM 0 HG22 THR A 2 120.628 -8.762 12.107 1.00 3.02 H new ATOM 0 HG23 THR A 2 119.868 -8.364 10.547 1.00 3.02 H new ATOM 34 N THR A 3 121.534 -10.235 8.587 1.00 0.96 N ATOM 35 CA THR A 3 121.597 -9.846 7.152 1.00 0.75 C ATOM 36 C THR A 3 121.572 -11.095 6.266 1.00 0.69 C ATOM 37 O THR A 3 121.686 -12.210 6.737 1.00 0.74 O ATOM 38 CB THR A 3 122.888 -9.066 6.900 1.00 0.68 C ATOM 39 OG1 THR A 3 123.986 -9.782 7.447 1.00 0.79 O ATOM 40 CG2 THR A 3 122.793 -7.690 7.561 1.00 0.75 C ATOM 0 H THR A 3 122.410 -10.131 9.098 1.00 0.96 H new ATOM 0 HA THR A 3 120.735 -9.224 6.910 1.00 0.75 H new ATOM 0 HB THR A 3 123.034 -8.941 5.827 1.00 0.68 H new ATOM 0 HG1 THR A 3 124.525 -9.181 8.002 1.00 0.79 H new ATOM 0 HG21 THR A 3 123.714 -7.135 7.381 1.00 0.75 H new ATOM 0 HG22 THR A 3 121.950 -7.141 7.140 1.00 0.75 H new ATOM 0 HG23 THR A 3 122.647 -7.811 8.634 1.00 0.75 H new ATOM 48 N SER A 4 121.415 -10.911 4.983 1.00 0.63 N ATOM 49 CA SER A 4 121.371 -12.074 4.051 1.00 0.61 C ATOM 50 C SER A 4 122.697 -12.840 4.102 1.00 0.60 C ATOM 51 O SER A 4 123.645 -12.436 4.747 1.00 0.57 O ATOM 52 CB SER A 4 121.129 -11.570 2.628 1.00 0.63 C ATOM 53 OG SER A 4 120.759 -12.663 1.798 1.00 1.51 O ATOM 0 H SER A 4 121.315 -9.999 4.538 1.00 0.63 H new ATOM 0 HA SER A 4 120.563 -12.742 4.350 1.00 0.61 H new ATOM 0 HB2 SER A 4 120.343 -10.815 2.626 1.00 0.63 H new ATOM 0 HB3 SER A 4 122.030 -11.093 2.241 1.00 0.63 H new ATOM 0 HG SER A 4 120.602 -12.342 0.885 1.00 1.51 H new ATOM 59 N GLN A 5 122.747 -13.963 3.436 1.00 0.63 N ATOM 60 CA GLN A 5 123.979 -14.806 3.433 1.00 0.64 C ATOM 61 C GLN A 5 125.168 -14.032 2.863 1.00 0.60 C ATOM 62 O GLN A 5 126.308 -14.379 3.097 1.00 0.59 O ATOM 63 CB GLN A 5 123.737 -16.051 2.577 1.00 0.71 C ATOM 64 CG GLN A 5 122.744 -16.980 3.281 1.00 1.34 C ATOM 65 CD GLN A 5 123.402 -17.588 4.521 1.00 1.60 C ATOM 66 OE1 GLN A 5 124.543 -18.003 4.477 1.00 2.09 O ATOM 67 NE2 GLN A 5 122.725 -17.660 5.634 1.00 2.18 N ATOM 0 H GLN A 5 121.974 -14.338 2.885 1.00 0.63 H new ATOM 0 HA GLN A 5 124.206 -15.090 4.460 1.00 0.64 H new ATOM 0 HB2 GLN A 5 123.349 -15.762 1.600 1.00 0.71 H new ATOM 0 HB3 GLN A 5 124.678 -16.573 2.404 1.00 0.71 H new ATOM 0 HG2 GLN A 5 121.850 -16.425 3.566 1.00 1.34 H new ATOM 0 HG3 GLN A 5 122.425 -17.770 2.601 1.00 1.34 H new ATOM 0 HE21 GLN A 5 121.767 -17.312 5.672 1.00 2.18 H new ATOM 0 HE22 GLN A 5 123.154 -18.064 6.466 1.00 2.18 H new ATOM 76 N LYS A 6 124.925 -12.996 2.106 1.00 0.59 N ATOM 77 CA LYS A 6 126.056 -12.225 1.519 1.00 0.57 C ATOM 78 C LYS A 6 126.931 -11.665 2.642 1.00 0.51 C ATOM 79 O LYS A 6 128.140 -11.621 2.529 1.00 0.50 O ATOM 80 CB LYS A 6 125.503 -11.068 0.681 1.00 0.58 C ATOM 81 CG LYS A 6 124.722 -11.608 -0.527 1.00 0.65 C ATOM 82 CD LYS A 6 125.676 -12.247 -1.551 1.00 0.81 C ATOM 83 CE LYS A 6 124.974 -12.357 -2.907 1.00 1.26 C ATOM 84 NZ LYS A 6 124.893 -11.009 -3.538 1.00 2.02 N ATOM 0 H LYS A 6 123.994 -12.652 1.870 1.00 0.59 H new ATOM 0 HA LYS A 6 126.653 -12.882 0.886 1.00 0.57 H new ATOM 0 HB2 LYS A 6 124.852 -10.445 1.294 1.00 0.58 H new ATOM 0 HB3 LYS A 6 126.321 -10.434 0.339 1.00 0.58 H new ATOM 0 HG2 LYS A 6 123.992 -12.345 -0.194 1.00 0.65 H new ATOM 0 HG3 LYS A 6 124.165 -10.798 -0.998 1.00 0.65 H new ATOM 0 HD2 LYS A 6 126.580 -11.645 -1.646 1.00 0.81 H new ATOM 0 HD3 LYS A 6 125.985 -13.235 -1.209 1.00 0.81 H new ATOM 0 HE2 LYS A 6 125.520 -13.041 -3.556 1.00 1.26 H new ATOM 0 HE3 LYS A 6 123.974 -12.770 -2.778 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 123.917 -10.829 -3.849 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 125.175 -10.285 -2.847 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 125.530 -10.971 -4.359 1.00 2.02 H new ATOM 98 N HIS A 7 126.342 -11.224 3.716 1.00 0.49 N ATOM 99 CA HIS A 7 127.163 -10.656 4.821 1.00 0.45 C ATOM 100 C HIS A 7 128.147 -11.700 5.354 1.00 0.45 C ATOM 101 O HIS A 7 129.330 -11.446 5.456 1.00 0.43 O ATOM 102 CB HIS A 7 126.241 -10.194 5.954 1.00 0.45 C ATOM 103 CG HIS A 7 127.063 -9.765 7.142 1.00 0.42 C ATOM 104 ND1 HIS A 7 127.404 -8.439 7.373 1.00 0.38 N ATOM 105 CD2 HIS A 7 127.620 -10.482 8.173 1.00 0.45 C ATOM 106 CE1 HIS A 7 128.135 -8.401 8.505 1.00 0.38 C ATOM 107 NE2 HIS A 7 128.293 -9.618 9.029 1.00 0.42 N ATOM 0 H HIS A 7 125.335 -11.231 3.877 1.00 0.49 H new ATOM 0 HA HIS A 7 127.730 -9.808 4.436 1.00 0.45 H new ATOM 0 HB2 HIS A 7 125.619 -9.366 5.614 1.00 0.45 H new ATOM 0 HB3 HIS A 7 125.568 -11.002 6.239 1.00 0.45 H new ATOM 0 HD2 HIS A 7 127.546 -11.552 8.299 1.00 0.45 H new ATOM 0 HE1 HIS A 7 128.542 -7.498 8.935 1.00 0.38 H new ATOM 0 HE2 HIS A 7 128.801 -9.863 9.879 1.00 0.42 H new ATOM 115 N ARG A 8 127.679 -12.878 5.699 1.00 0.48 N ATOM 116 CA ARG A 8 128.595 -13.928 6.220 1.00 0.50 C ATOM 117 C ARG A 8 129.498 -14.438 5.103 1.00 0.51 C ATOM 118 O ARG A 8 130.643 -14.771 5.319 1.00 0.51 O ATOM 119 CB ARG A 8 127.786 -15.094 6.786 1.00 0.55 C ATOM 120 CG ARG A 8 127.088 -14.656 8.073 1.00 0.57 C ATOM 121 CD ARG A 8 126.282 -15.830 8.631 1.00 1.00 C ATOM 122 NE ARG A 8 125.573 -15.417 9.888 1.00 1.69 N ATOM 123 CZ ARG A 8 126.222 -14.975 10.934 1.00 2.27 C ATOM 124 NH1 ARG A 8 127.525 -15.028 10.980 1.00 2.42 N ATOM 125 NH2 ARG A 8 125.558 -14.522 11.962 1.00 3.21 N ATOM 0 H ARG A 8 126.698 -13.152 5.640 1.00 0.48 H new ATOM 0 HA ARG A 8 129.208 -13.494 7.010 1.00 0.50 H new ATOM 0 HB2 ARG A 8 127.049 -15.427 6.055 1.00 0.55 H new ATOM 0 HB3 ARG A 8 128.442 -15.942 6.986 1.00 0.55 H new ATOM 0 HG2 ARG A 8 127.824 -14.324 8.805 1.00 0.57 H new ATOM 0 HG3 ARG A 8 126.431 -13.809 7.875 1.00 0.57 H new ATOM 0 HD2 ARG A 8 125.558 -16.169 7.890 1.00 1.00 H new ATOM 0 HD3 ARG A 8 126.944 -16.671 8.837 1.00 1.00 H new ATOM 0 HE ARG A 8 124.556 -15.483 9.928 1.00 1.69 H new ATOM 0 HH11 ARG A 8 128.048 -15.417 10.195 1.00 2.42 H new ATOM 0 HH12 ARG A 8 128.021 -14.680 11.801 1.00 2.42 H new ATOM 0 HH21 ARG A 8 124.538 -14.514 11.947 1.00 3.21 H new ATOM 0 HH22 ARG A 8 126.059 -14.176 12.780 1.00 3.21 H new ATOM 139 N ASP A 9 128.985 -14.510 3.910 1.00 0.52 N ATOM 140 CA ASP A 9 129.809 -15.013 2.781 1.00 0.54 C ATOM 141 C ASP A 9 130.924 -14.011 2.483 1.00 0.49 C ATOM 142 O ASP A 9 132.045 -14.377 2.191 1.00 0.49 O ATOM 143 CB ASP A 9 128.927 -15.181 1.545 1.00 0.61 C ATOM 144 CG ASP A 9 127.970 -16.355 1.759 1.00 0.68 C ATOM 145 OD1 ASP A 9 128.292 -17.216 2.561 1.00 0.67 O ATOM 146 OD2 ASP A 9 126.929 -16.369 1.123 1.00 0.76 O ATOM 0 H ASP A 9 128.031 -14.242 3.668 1.00 0.52 H new ATOM 0 HA ASP A 9 130.247 -15.975 3.047 1.00 0.54 H new ATOM 0 HB2 ASP A 9 128.363 -14.267 1.360 1.00 0.61 H new ATOM 0 HB3 ASP A 9 129.545 -15.357 0.665 1.00 0.61 H new ATOM 151 N PHE A 10 130.615 -12.747 2.541 1.00 0.46 N ATOM 152 CA PHE A 10 131.648 -11.716 2.245 1.00 0.43 C ATOM 153 C PHE A 10 132.772 -11.782 3.294 1.00 0.38 C ATOM 154 O PHE A 10 133.940 -11.791 2.961 1.00 0.36 O ATOM 155 CB PHE A 10 130.985 -10.335 2.271 1.00 0.45 C ATOM 156 CG PHE A 10 131.912 -9.300 1.680 1.00 0.43 C ATOM 157 CD1 PHE A 10 131.938 -9.099 0.293 1.00 0.44 C ATOM 158 CD2 PHE A 10 132.733 -8.532 2.512 1.00 0.43 C ATOM 159 CE1 PHE A 10 132.784 -8.131 -0.260 1.00 0.44 C ATOM 160 CE2 PHE A 10 133.581 -7.564 1.958 1.00 0.43 C ATOM 161 CZ PHE A 10 133.607 -7.364 0.573 1.00 0.43 C ATOM 0 H PHE A 10 129.693 -12.383 2.780 1.00 0.46 H new ATOM 0 HA PHE A 10 132.082 -11.898 1.262 1.00 0.43 H new ATOM 0 HB2 PHE A 10 130.052 -10.361 1.709 1.00 0.45 H new ATOM 0 HB3 PHE A 10 130.732 -10.064 3.296 1.00 0.45 H new ATOM 0 HD1 PHE A 10 131.304 -9.692 -0.350 1.00 0.44 H new ATOM 0 HD2 PHE A 10 132.713 -8.685 3.581 1.00 0.43 H new ATOM 0 HE1 PHE A 10 132.802 -7.976 -1.329 1.00 0.44 H new ATOM 0 HE2 PHE A 10 134.215 -6.971 2.600 1.00 0.43 H new ATOM 0 HZ PHE A 10 134.262 -6.618 0.147 1.00 0.43 H new ATOM 171 N VAL A 11 132.428 -11.821 4.556 1.00 0.37 N ATOM 172 CA VAL A 11 133.474 -11.876 5.629 1.00 0.35 C ATOM 173 C VAL A 11 133.896 -13.327 5.913 1.00 0.37 C ATOM 174 O VAL A 11 134.639 -13.587 6.839 1.00 0.38 O ATOM 175 CB VAL A 11 132.906 -11.260 6.911 1.00 0.37 C ATOM 176 CG1 VAL A 11 132.358 -9.864 6.609 1.00 0.44 C ATOM 177 CG2 VAL A 11 131.780 -12.151 7.450 1.00 0.40 C ATOM 0 H VAL A 11 131.465 -11.817 4.893 1.00 0.37 H new ATOM 0 HA VAL A 11 134.349 -11.320 5.292 1.00 0.35 H new ATOM 0 HB VAL A 11 133.696 -11.183 7.658 1.00 0.37 H new ATOM 0 HG11 VAL A 11 131.954 -9.426 7.522 1.00 0.44 H new ATOM 0 HG12 VAL A 11 133.161 -9.233 6.228 1.00 0.44 H new ATOM 0 HG13 VAL A 11 131.568 -9.937 5.861 1.00 0.44 H new ATOM 0 HG21 VAL A 11 131.375 -11.713 8.363 1.00 0.40 H new ATOM 0 HG22 VAL A 11 130.990 -12.230 6.704 1.00 0.40 H new ATOM 0 HG23 VAL A 11 132.174 -13.144 7.668 1.00 0.40 H new ATOM 187 N ALA A 12 133.451 -14.271 5.121 1.00 0.41 N ATOM 188 CA ALA A 12 133.853 -15.702 5.343 1.00 0.48 C ATOM 189 C ALA A 12 134.985 -16.084 4.384 1.00 0.46 C ATOM 190 O ALA A 12 135.672 -17.065 4.580 1.00 0.49 O ATOM 191 CB ALA A 12 132.658 -16.623 5.097 1.00 0.54 C ATOM 0 H ALA A 12 132.827 -14.116 4.329 1.00 0.41 H new ATOM 0 HA ALA A 12 134.195 -15.812 6.372 1.00 0.48 H new ATOM 0 HB1 ALA A 12 132.957 -17.658 5.260 1.00 0.54 H new ATOM 0 HB2 ALA A 12 131.853 -16.366 5.785 1.00 0.54 H new ATOM 0 HB3 ALA A 12 132.311 -16.503 4.071 1.00 0.54 H new ATOM 197 N GLU A 13 135.188 -15.313 3.350 1.00 0.43 N ATOM 198 CA GLU A 13 136.280 -15.627 2.383 1.00 0.43 C ATOM 199 C GLU A 13 136.692 -14.329 1.677 1.00 0.40 C ATOM 200 O GLU A 13 135.888 -13.428 1.545 1.00 0.37 O ATOM 201 CB GLU A 13 135.768 -16.651 1.358 1.00 0.46 C ATOM 202 CG GLU A 13 134.433 -16.190 0.776 1.00 0.48 C ATOM 203 CD GLU A 13 133.959 -17.207 -0.263 1.00 0.61 C ATOM 204 OE1 GLU A 13 134.150 -18.390 -0.033 1.00 1.26 O ATOM 205 OE2 GLU A 13 133.416 -16.789 -1.272 1.00 1.05 O ATOM 0 H GLU A 13 134.644 -14.478 3.133 1.00 0.43 H new ATOM 0 HA GLU A 13 137.141 -16.049 2.901 1.00 0.43 H new ATOM 0 HB2 GLU A 13 136.499 -16.773 0.559 1.00 0.46 H new ATOM 0 HB3 GLU A 13 135.649 -17.625 1.833 1.00 0.46 H new ATOM 0 HG2 GLU A 13 133.692 -16.090 1.569 1.00 0.48 H new ATOM 0 HG3 GLU A 13 134.543 -15.207 0.317 1.00 0.48 H new ATOM 212 N PRO A 14 137.923 -14.220 1.224 1.00 0.42 N ATOM 213 CA PRO A 14 138.405 -12.998 0.521 1.00 0.40 C ATOM 214 C PRO A 14 137.304 -12.369 -0.344 1.00 0.36 C ATOM 215 O PRO A 14 136.386 -13.040 -0.771 1.00 0.36 O ATOM 216 CB PRO A 14 139.552 -13.527 -0.343 1.00 0.45 C ATOM 217 CG PRO A 14 140.117 -14.694 0.423 1.00 0.49 C ATOM 218 CD PRO A 14 138.989 -15.233 1.328 1.00 0.48 C ATOM 0 HA PRO A 14 138.710 -12.208 1.207 1.00 0.40 H new ATOM 0 HB2 PRO A 14 139.195 -13.836 -1.325 1.00 0.45 H new ATOM 0 HB3 PRO A 14 140.309 -12.760 -0.506 1.00 0.45 H new ATOM 0 HG2 PRO A 14 140.467 -15.469 -0.259 1.00 0.49 H new ATOM 0 HG3 PRO A 14 140.975 -14.384 1.020 1.00 0.49 H new ATOM 0 HD2 PRO A 14 138.643 -16.211 0.993 1.00 0.48 H new ATOM 0 HD3 PRO A 14 139.327 -15.351 2.358 1.00 0.48 H new ATOM 226 N MET A 15 137.376 -11.089 -0.600 1.00 0.35 N ATOM 227 CA MET A 15 136.316 -10.437 -1.429 1.00 0.35 C ATOM 228 C MET A 15 136.719 -10.465 -2.906 1.00 0.36 C ATOM 229 O MET A 15 135.885 -10.409 -3.788 1.00 0.39 O ATOM 230 CB MET A 15 136.122 -8.988 -0.971 1.00 0.37 C ATOM 231 CG MET A 15 137.481 -8.299 -0.831 1.00 0.41 C ATOM 232 SD MET A 15 137.241 -6.503 -0.789 1.00 0.57 S ATOM 233 CE MET A 15 136.948 -6.337 0.990 1.00 0.43 C ATOM 0 H MET A 15 138.117 -10.469 -0.274 1.00 0.35 H new ATOM 0 HA MET A 15 135.380 -10.981 -1.306 1.00 0.35 H new ATOM 0 HB2 MET A 15 135.504 -8.450 -1.690 1.00 0.37 H new ATOM 0 HB3 MET A 15 135.594 -8.966 -0.018 1.00 0.37 H new ATOM 0 HG2 MET A 15 137.978 -8.632 0.080 1.00 0.41 H new ATOM 0 HG3 MET A 15 138.127 -8.572 -1.665 1.00 0.41 H new ATOM 0 HE1 MET A 15 136.272 -5.501 1.171 1.00 0.43 H new ATOM 0 HE2 MET A 15 136.501 -7.255 1.372 1.00 0.43 H new ATOM 0 HE3 MET A 15 137.894 -6.155 1.499 1.00 0.43 H new ATOM 243 N GLY A 16 137.993 -10.563 -3.182 1.00 0.37 N ATOM 244 CA GLY A 16 138.455 -10.608 -4.601 1.00 0.40 C ATOM 245 C GLY A 16 137.855 -9.445 -5.394 1.00 0.40 C ATOM 246 O GLY A 16 137.845 -8.314 -4.949 1.00 0.38 O ATOM 0 H GLY A 16 138.735 -10.614 -2.484 1.00 0.37 H new ATOM 0 HA2 GLY A 16 139.543 -10.558 -4.638 1.00 0.40 H new ATOM 0 HA3 GLY A 16 138.164 -11.555 -5.055 1.00 0.40 H new ATOM 250 N GLU A 17 137.373 -9.720 -6.581 1.00 0.41 N ATOM 251 CA GLU A 17 136.785 -8.650 -7.449 1.00 0.42 C ATOM 252 C GLU A 17 135.272 -8.832 -7.557 1.00 0.40 C ATOM 253 O GLU A 17 134.693 -8.640 -8.607 1.00 0.40 O ATOM 254 CB GLU A 17 137.405 -8.746 -8.845 1.00 0.47 C ATOM 255 CG GLU A 17 138.870 -8.308 -8.785 1.00 0.52 C ATOM 256 CD GLU A 17 139.492 -8.415 -10.178 1.00 0.57 C ATOM 257 OE1 GLU A 17 138.841 -8.956 -11.057 1.00 0.76 O ATOM 258 OE2 GLU A 17 140.612 -7.959 -10.341 1.00 0.85 O ATOM 0 H GLU A 17 137.362 -10.654 -6.992 1.00 0.41 H new ATOM 0 HA GLU A 17 136.995 -7.675 -7.010 1.00 0.42 H new ATOM 0 HB2 GLU A 17 137.335 -9.769 -9.216 1.00 0.47 H new ATOM 0 HB3 GLU A 17 136.854 -8.116 -9.543 1.00 0.47 H new ATOM 0 HG2 GLU A 17 138.939 -7.283 -8.422 1.00 0.52 H new ATOM 0 HG3 GLU A 17 139.419 -8.933 -8.081 1.00 0.52 H new ATOM 265 N LYS A 18 134.622 -9.208 -6.489 1.00 0.38 N ATOM 266 CA LYS A 18 133.147 -9.405 -6.549 1.00 0.36 C ATOM 267 C LYS A 18 132.488 -8.078 -6.955 1.00 0.32 C ATOM 268 O LYS A 18 133.009 -7.017 -6.676 1.00 0.31 O ATOM 269 CB LYS A 18 132.640 -9.822 -5.165 1.00 0.36 C ATOM 270 CG LYS A 18 133.009 -11.283 -4.903 1.00 0.45 C ATOM 271 CD LYS A 18 132.582 -11.668 -3.486 1.00 1.17 C ATOM 272 CE LYS A 18 133.153 -13.044 -3.134 1.00 1.44 C ATOM 273 NZ LYS A 18 132.804 -13.381 -1.726 1.00 2.01 N ATOM 0 H LYS A 18 135.048 -9.387 -5.580 1.00 0.38 H new ATOM 0 HA LYS A 18 132.901 -10.179 -7.276 1.00 0.36 H new ATOM 0 HB2 LYS A 18 133.078 -9.183 -4.398 1.00 0.36 H new ATOM 0 HB3 LYS A 18 131.559 -9.693 -5.108 1.00 0.36 H new ATOM 0 HG2 LYS A 18 132.519 -11.930 -5.631 1.00 0.45 H new ATOM 0 HG3 LYS A 18 134.083 -11.425 -5.022 1.00 0.45 H new ATOM 0 HD2 LYS A 18 132.936 -10.923 -2.774 1.00 1.17 H new ATOM 0 HD3 LYS A 18 131.494 -11.685 -3.415 1.00 1.17 H new ATOM 0 HE2 LYS A 18 132.753 -13.799 -3.810 1.00 1.44 H new ATOM 0 HE3 LYS A 18 134.236 -13.044 -3.262 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 133.192 -14.316 -1.486 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 133.206 -12.665 -1.088 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 131.770 -13.398 -1.619 1.00 2.01 H new ATOM 287 N PRO A 19 131.361 -8.130 -7.630 1.00 0.31 N ATOM 288 CA PRO A 19 130.650 -6.900 -8.094 1.00 0.29 C ATOM 289 C PRO A 19 130.200 -6.006 -6.932 1.00 0.25 C ATOM 290 O PRO A 19 129.904 -6.469 -5.849 1.00 0.24 O ATOM 291 CB PRO A 19 129.442 -7.442 -8.888 1.00 0.32 C ATOM 292 CG PRO A 19 129.251 -8.845 -8.403 1.00 0.33 C ATOM 293 CD PRO A 19 130.641 -9.354 -8.023 1.00 0.34 C ATOM 0 HA PRO A 19 131.299 -6.261 -8.693 1.00 0.29 H new ATOM 0 HB2 PRO A 19 128.551 -6.839 -8.710 1.00 0.32 H new ATOM 0 HB3 PRO A 19 129.634 -7.419 -9.961 1.00 0.32 H new ATOM 0 HG2 PRO A 19 128.578 -8.873 -7.546 1.00 0.33 H new ATOM 0 HG3 PRO A 19 128.806 -9.468 -9.179 1.00 0.33 H new ATOM 0 HD2 PRO A 19 130.595 -10.073 -7.205 1.00 0.34 H new ATOM 0 HD3 PRO A 19 131.128 -9.855 -8.860 1.00 0.34 H new ATOM 301 N VAL A 20 130.160 -4.723 -7.162 1.00 0.25 N ATOM 302 CA VAL A 20 129.745 -3.772 -6.094 1.00 0.23 C ATOM 303 C VAL A 20 128.396 -4.191 -5.501 1.00 0.21 C ATOM 304 O VAL A 20 128.102 -3.935 -4.351 1.00 0.23 O ATOM 305 CB VAL A 20 129.634 -2.364 -6.688 1.00 0.27 C ATOM 306 CG1 VAL A 20 128.589 -2.353 -7.809 1.00 0.32 C ATOM 307 CG2 VAL A 20 129.223 -1.376 -5.592 1.00 0.29 C ATOM 0 H VAL A 20 130.400 -4.289 -8.053 1.00 0.25 H new ATOM 0 HA VAL A 20 130.491 -3.780 -5.300 1.00 0.23 H new ATOM 0 HB VAL A 20 130.601 -2.070 -7.097 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.515 -1.349 -8.227 1.00 0.32 H new ATOM 0 HG12 VAL A 20 128.887 -3.051 -8.591 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.621 -2.651 -7.407 1.00 0.32 H new ATOM 0 HG21 VAL A 20 129.144 -0.375 -6.016 1.00 0.29 H new ATOM 0 HG22 VAL A 20 128.259 -1.672 -5.178 1.00 0.29 H new ATOM 0 HG23 VAL A 20 129.973 -1.377 -4.801 1.00 0.29 H new ATOM 317 N GLY A 21 127.563 -4.819 -6.294 1.00 0.23 N ATOM 318 CA GLY A 21 126.217 -5.243 -5.808 1.00 0.21 C ATOM 319 C GLY A 21 126.332 -6.460 -4.885 1.00 0.20 C ATOM 320 O GLY A 21 125.351 -6.915 -4.332 1.00 0.19 O ATOM 0 H GLY A 21 127.762 -5.057 -7.266 1.00 0.23 H new ATOM 0 HA2 GLY A 21 125.742 -4.420 -5.275 1.00 0.21 H new ATOM 0 HA3 GLY A 21 125.578 -5.484 -6.657 1.00 0.21 H new ATOM 324 N SER A 22 127.511 -6.996 -4.703 1.00 0.20 N ATOM 325 CA SER A 22 127.655 -8.179 -3.803 1.00 0.20 C ATOM 326 C SER A 22 127.764 -7.702 -2.352 1.00 0.19 C ATOM 327 O SER A 22 127.522 -8.448 -1.422 1.00 0.20 O ATOM 328 CB SER A 22 128.918 -8.957 -4.178 1.00 0.23 C ATOM 329 OG SER A 22 128.936 -10.192 -3.472 1.00 1.24 O ATOM 0 H SER A 22 128.375 -6.669 -5.135 1.00 0.20 H new ATOM 0 HA SER A 22 126.785 -8.826 -3.912 1.00 0.20 H new ATOM 0 HB2 SER A 22 128.942 -9.139 -5.252 1.00 0.23 H new ATOM 0 HB3 SER A 22 129.805 -8.372 -3.934 1.00 0.23 H new ATOM 0 HG SER A 22 129.539 -10.819 -3.924 1.00 1.24 H new ATOM 335 N LEU A 23 128.132 -6.466 -2.152 1.00 0.17 N ATOM 336 CA LEU A 23 128.266 -5.937 -0.764 1.00 0.18 C ATOM 337 C LEU A 23 126.908 -5.977 -0.064 1.00 0.18 C ATOM 338 O LEU A 23 125.894 -5.608 -0.622 1.00 0.17 O ATOM 339 CB LEU A 23 128.752 -4.486 -0.825 1.00 0.18 C ATOM 340 CG LEU A 23 130.202 -4.430 -1.323 1.00 0.21 C ATOM 341 CD1 LEU A 23 130.560 -2.978 -1.642 1.00 0.23 C ATOM 342 CD2 LEU A 23 131.166 -4.969 -0.245 1.00 0.24 C ATOM 0 H LEU A 23 128.346 -5.797 -2.892 1.00 0.17 H new ATOM 0 HA LEU A 23 128.979 -6.548 -0.211 1.00 0.18 H new ATOM 0 HB2 LEU A 23 128.110 -3.908 -1.489 1.00 0.18 H new ATOM 0 HB3 LEU A 23 128.682 -4.030 0.163 1.00 0.18 H new ATOM 0 HG LEU A 23 130.297 -5.048 -2.216 1.00 0.21 H new ATOM 0 HD11 LEU A 23 131.589 -2.927 -1.997 1.00 0.23 H new ATOM 0 HD12 LEU A 23 129.890 -2.599 -2.414 1.00 0.23 H new ATOM 0 HD13 LEU A 23 130.456 -2.372 -0.742 1.00 0.23 H new ATOM 0 HD21 LEU A 23 132.190 -4.922 -0.616 1.00 0.24 H new ATOM 0 HD22 LEU A 23 131.078 -4.363 0.657 1.00 0.24 H new ATOM 0 HD23 LEU A 23 130.911 -6.003 -0.014 1.00 0.24 H new ATOM 354 N ALA A 24 126.888 -6.421 1.158 1.00 0.18 N ATOM 355 CA ALA A 24 125.600 -6.483 1.902 1.00 0.19 C ATOM 356 C ALA A 24 125.045 -5.069 2.090 1.00 0.20 C ATOM 357 O ALA A 24 125.747 -4.153 2.470 1.00 0.20 O ATOM 358 CB ALA A 24 125.835 -7.125 3.271 1.00 0.21 C ATOM 0 H ALA A 24 127.706 -6.744 1.675 1.00 0.18 H new ATOM 0 HA ALA A 24 124.884 -7.079 1.337 1.00 0.19 H new ATOM 0 HB1 ALA A 24 124.893 -7.171 3.818 1.00 0.21 H new ATOM 0 HB2 ALA A 24 126.227 -8.133 3.138 1.00 0.21 H new ATOM 0 HB3 ALA A 24 126.552 -6.528 3.834 1.00 0.21 H new ATOM 364 N GLY A 25 123.781 -4.895 1.815 1.00 0.20 N ATOM 365 CA GLY A 25 123.148 -3.546 1.961 1.00 0.21 C ATOM 366 C GLY A 25 123.102 -2.860 0.595 1.00 0.21 C ATOM 367 O GLY A 25 122.330 -1.948 0.373 1.00 0.22 O ATOM 0 H GLY A 25 123.153 -5.632 1.493 1.00 0.20 H new ATOM 0 HA2 GLY A 25 122.141 -3.646 2.365 1.00 0.21 H new ATOM 0 HA3 GLY A 25 123.716 -2.939 2.667 1.00 0.21 H new ATOM 371 N ILE A 26 123.917 -3.301 -0.325 1.00 0.20 N ATOM 372 CA ILE A 26 123.923 -2.692 -1.688 1.00 0.21 C ATOM 373 C ILE A 26 123.089 -3.579 -2.606 1.00 0.23 C ATOM 374 O ILE A 26 123.461 -4.700 -2.894 1.00 0.25 O ATOM 375 CB ILE A 26 125.359 -2.631 -2.213 1.00 0.22 C ATOM 376 CG1 ILE A 26 126.251 -1.865 -1.221 1.00 0.22 C ATOM 377 CG2 ILE A 26 125.379 -1.933 -3.575 1.00 0.25 C ATOM 378 CD1 ILE A 26 125.671 -0.475 -0.928 1.00 0.24 C ATOM 0 H ILE A 26 124.583 -4.062 -0.191 1.00 0.20 H new ATOM 0 HA ILE A 26 123.511 -1.683 -1.654 1.00 0.21 H new ATOM 0 HB ILE A 26 125.742 -3.645 -2.322 1.00 0.22 H new ATOM 0 HG12 ILE A 26 126.339 -2.430 -0.293 1.00 0.22 H new ATOM 0 HG13 ILE A 26 127.256 -1.766 -1.631 1.00 0.22 H new ATOM 0 HG21 ILE A 26 126.403 -1.891 -3.947 1.00 0.25 H new ATOM 0 HG22 ILE A 26 124.760 -2.490 -4.278 1.00 0.25 H new ATOM 0 HG23 ILE A 26 124.989 -0.921 -3.471 1.00 0.25 H new ATOM 0 HD11 ILE A 26 126.318 0.048 -0.224 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.607 0.095 -1.855 1.00 0.24 H new ATOM 0 HD13 ILE A 26 124.676 -0.580 -0.496 1.00 0.24 H new ATOM 390 N GLY A 27 121.964 -3.107 -3.075 1.00 0.24 N ATOM 391 CA GLY A 27 121.124 -3.948 -3.974 1.00 0.28 C ATOM 392 C GLY A 27 121.487 -3.669 -5.433 1.00 0.28 C ATOM 393 O GLY A 27 122.332 -2.848 -5.730 1.00 0.27 O ATOM 0 H GLY A 27 121.592 -2.178 -2.875 1.00 0.24 H new ATOM 0 HA2 GLY A 27 121.276 -5.003 -3.747 1.00 0.28 H new ATOM 0 HA3 GLY A 27 120.068 -3.735 -3.805 1.00 0.28 H new ATOM 397 N GLU A 28 120.862 -4.360 -6.342 1.00 0.30 N ATOM 398 CA GLU A 28 121.179 -4.150 -7.781 1.00 0.32 C ATOM 399 C GLU A 28 120.973 -2.678 -8.147 1.00 0.32 C ATOM 400 O GLU A 28 121.742 -2.105 -8.891 1.00 0.34 O ATOM 401 CB GLU A 28 120.256 -5.019 -8.639 1.00 0.36 C ATOM 402 CG GLU A 28 120.635 -6.491 -8.466 1.00 0.39 C ATOM 403 CD GLU A 28 119.711 -7.359 -9.323 1.00 1.28 C ATOM 404 OE1 GLU A 28 118.811 -6.808 -9.935 1.00 2.01 O ATOM 405 OE2 GLU A 28 119.918 -8.561 -9.351 1.00 1.65 O ATOM 0 H GLU A 28 120.146 -5.061 -6.152 1.00 0.30 H new ATOM 0 HA GLU A 28 122.217 -4.426 -7.964 1.00 0.32 H new ATOM 0 HB2 GLU A 28 119.217 -4.863 -8.347 1.00 0.36 H new ATOM 0 HB3 GLU A 28 120.339 -4.732 -9.687 1.00 0.36 H new ATOM 0 HG2 GLU A 28 121.673 -6.647 -8.759 1.00 0.39 H new ATOM 0 HG3 GLU A 28 120.553 -6.778 -7.418 1.00 0.39 H new ATOM 412 N VAL A 29 119.943 -2.061 -7.638 1.00 0.31 N ATOM 413 CA VAL A 29 119.700 -0.629 -7.974 1.00 0.33 C ATOM 414 C VAL A 29 120.807 0.238 -7.367 1.00 0.33 C ATOM 415 O VAL A 29 121.339 1.124 -8.008 1.00 0.35 O ATOM 416 CB VAL A 29 118.339 -0.203 -7.415 1.00 0.34 C ATOM 417 CG1 VAL A 29 118.159 1.309 -7.574 1.00 0.38 C ATOM 418 CG2 VAL A 29 117.227 -0.931 -8.176 1.00 0.35 C ATOM 0 H VAL A 29 119.262 -2.483 -7.007 1.00 0.31 H new ATOM 0 HA VAL A 29 119.703 -0.501 -9.056 1.00 0.33 H new ATOM 0 HB VAL A 29 118.290 -0.460 -6.357 1.00 0.34 H new ATOM 0 HG11 VAL A 29 117.189 1.604 -7.174 1.00 0.38 H new ATOM 0 HG12 VAL A 29 118.948 1.829 -7.031 1.00 0.38 H new ATOM 0 HG13 VAL A 29 118.211 1.573 -8.630 1.00 0.38 H new ATOM 0 HG21 VAL A 29 116.257 -0.629 -7.780 1.00 0.35 H new ATOM 0 HG22 VAL A 29 117.282 -0.675 -9.234 1.00 0.35 H new ATOM 0 HG23 VAL A 29 117.349 -2.008 -8.056 1.00 0.35 H new ATOM 428 N LEU A 30 121.155 -0.006 -6.134 1.00 0.32 N ATOM 429 CA LEU A 30 122.221 0.805 -5.481 1.00 0.32 C ATOM 430 C LEU A 30 123.559 0.529 -6.164 1.00 0.32 C ATOM 431 O LEU A 30 124.369 1.415 -6.347 1.00 0.33 O ATOM 432 CB LEU A 30 122.316 0.441 -3.994 1.00 0.32 C ATOM 433 CG LEU A 30 120.993 0.763 -3.280 1.00 0.35 C ATOM 434 CD1 LEU A 30 121.107 0.350 -1.810 1.00 0.36 C ATOM 435 CD2 LEU A 30 120.690 2.273 -3.371 1.00 0.40 C ATOM 0 H LEU A 30 120.746 -0.734 -5.549 1.00 0.32 H new ATOM 0 HA LEU A 30 121.976 1.863 -5.573 1.00 0.32 H new ATOM 0 HB2 LEU A 30 122.547 -0.619 -3.886 1.00 0.32 H new ATOM 0 HB3 LEU A 30 123.132 0.994 -3.529 1.00 0.32 H new ATOM 0 HG LEU A 30 120.182 0.215 -3.759 1.00 0.35 H new ATOM 0 HD11 LEU A 30 120.173 0.575 -1.295 1.00 0.36 H new ATOM 0 HD12 LEU A 30 121.308 -0.720 -1.747 1.00 0.36 H new ATOM 0 HD13 LEU A 30 121.922 0.900 -1.340 1.00 0.36 H new ATOM 0 HD21 LEU A 30 119.751 2.487 -2.861 1.00 0.40 H new ATOM 0 HD22 LEU A 30 121.495 2.835 -2.898 1.00 0.40 H new ATOM 0 HD23 LEU A 30 120.610 2.566 -4.418 1.00 0.40 H new ATOM 447 N GLY A 31 123.799 -0.695 -6.541 1.00 0.33 N ATOM 448 CA GLY A 31 125.087 -1.026 -7.211 1.00 0.34 C ATOM 449 C GLY A 31 125.237 -0.181 -8.478 1.00 0.35 C ATOM 450 O GLY A 31 126.313 0.274 -8.809 1.00 0.35 O ATOM 0 H GLY A 31 123.160 -1.480 -6.415 1.00 0.33 H new ATOM 0 HA2 GLY A 31 125.920 -0.836 -6.534 1.00 0.34 H new ATOM 0 HA3 GLY A 31 125.116 -2.086 -7.463 1.00 0.34 H new ATOM 454 N LYS A 32 124.164 0.027 -9.194 1.00 0.35 N ATOM 455 CA LYS A 32 124.241 0.837 -10.446 1.00 0.37 C ATOM 456 C LYS A 32 124.629 2.287 -10.134 1.00 0.36 C ATOM 457 O LYS A 32 125.374 2.902 -10.871 1.00 0.38 O ATOM 458 CB LYS A 32 122.883 0.819 -11.148 1.00 0.39 C ATOM 459 CG LYS A 32 122.619 -0.575 -11.715 1.00 1.18 C ATOM 460 CD LYS A 32 121.261 -0.591 -12.418 1.00 1.37 C ATOM 461 CE LYS A 32 121.001 -1.987 -12.984 1.00 2.06 C ATOM 462 NZ LYS A 32 121.049 -2.985 -11.878 1.00 2.74 N ATOM 0 H LYS A 32 123.236 -0.329 -8.966 1.00 0.35 H new ATOM 0 HA LYS A 32 125.003 0.402 -11.093 1.00 0.37 H new ATOM 0 HB2 LYS A 32 122.095 1.092 -10.446 1.00 0.39 H new ATOM 0 HB3 LYS A 32 122.866 1.558 -11.949 1.00 0.39 H new ATOM 0 HG2 LYS A 32 123.407 -0.849 -12.417 1.00 1.18 H new ATOM 0 HG3 LYS A 32 122.634 -1.314 -10.914 1.00 1.18 H new ATOM 0 HD2 LYS A 32 120.472 -0.318 -11.717 1.00 1.37 H new ATOM 0 HD3 LYS A 32 121.245 0.148 -13.219 1.00 1.37 H new ATOM 0 HE2 LYS A 32 120.028 -2.017 -13.474 1.00 2.06 H new ATOM 0 HE3 LYS A 32 121.747 -2.230 -13.741 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 120.288 -3.682 -12.006 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 121.968 -3.471 -11.889 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 120.925 -2.500 -10.967 1.00 2.74 H new ATOM 476 N LYS A 33 124.124 2.853 -9.073 1.00 0.35 N ATOM 477 CA LYS A 33 124.472 4.272 -8.768 1.00 0.36 C ATOM 478 C LYS A 33 125.955 4.376 -8.407 1.00 0.34 C ATOM 479 O LYS A 33 126.655 5.249 -8.879 1.00 0.36 O ATOM 480 CB LYS A 33 123.626 4.754 -7.591 1.00 0.36 C ATOM 481 CG LYS A 33 122.167 4.861 -8.035 1.00 0.39 C ATOM 482 CD LYS A 33 121.305 5.343 -6.867 1.00 0.64 C ATOM 483 CE LYS A 33 119.849 5.448 -7.322 1.00 0.65 C ATOM 484 NZ LYS A 33 119.379 4.115 -7.799 1.00 1.54 N ATOM 0 H LYS A 33 123.493 2.402 -8.410 1.00 0.35 H new ATOM 0 HA LYS A 33 124.273 4.891 -9.643 1.00 0.36 H new ATOM 0 HB2 LYS A 33 123.715 4.060 -6.755 1.00 0.36 H new ATOM 0 HB3 LYS A 33 123.985 5.722 -7.241 1.00 0.36 H new ATOM 0 HG2 LYS A 33 122.082 5.554 -8.872 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.812 3.892 -8.386 1.00 0.39 H new ATOM 0 HD2 LYS A 33 121.387 4.650 -6.030 1.00 0.64 H new ATOM 0 HD3 LYS A 33 121.659 6.312 -6.515 1.00 0.64 H new ATOM 0 HE2 LYS A 33 119.224 5.793 -6.498 1.00 0.65 H new ATOM 0 HE3 LYS A 33 119.759 6.184 -8.121 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 118.421 3.934 -7.436 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 119.363 4.104 -8.839 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 120.025 3.376 -7.455 1.00 1.54 H new ATOM 498 N LEU A 34 126.447 3.486 -7.594 1.00 0.32 N ATOM 499 CA LEU A 34 127.891 3.533 -7.233 1.00 0.31 C ATOM 500 C LEU A 34 128.725 3.325 -8.506 1.00 0.31 C ATOM 501 O LEU A 34 129.743 3.952 -8.711 1.00 0.33 O ATOM 502 CB LEU A 34 128.197 2.445 -6.195 1.00 0.29 C ATOM 503 CG LEU A 34 127.544 2.808 -4.851 1.00 0.30 C ATOM 504 CD1 LEU A 34 127.642 1.607 -3.903 1.00 0.30 C ATOM 505 CD2 LEU A 34 128.248 4.031 -4.216 1.00 0.34 C ATOM 0 H LEU A 34 125.914 2.730 -7.164 1.00 0.32 H new ATOM 0 HA LEU A 34 128.142 4.500 -6.797 1.00 0.31 H new ATOM 0 HB2 LEU A 34 127.823 1.482 -6.543 1.00 0.29 H new ATOM 0 HB3 LEU A 34 129.275 2.342 -6.070 1.00 0.29 H new ATOM 0 HG LEU A 34 126.498 3.062 -5.022 1.00 0.30 H new ATOM 0 HD11 LEU A 34 127.181 1.859 -2.948 1.00 0.30 H new ATOM 0 HD12 LEU A 34 127.125 0.754 -4.342 1.00 0.30 H new ATOM 0 HD13 LEU A 34 128.690 1.354 -3.744 1.00 0.30 H new ATOM 0 HD21 LEU A 34 127.772 4.272 -3.266 1.00 0.34 H new ATOM 0 HD22 LEU A 34 129.299 3.798 -4.046 1.00 0.34 H new ATOM 0 HD23 LEU A 34 128.170 4.885 -4.888 1.00 0.34 H new ATOM 517 N GLU A 35 128.290 2.437 -9.356 1.00 0.32 N ATOM 518 CA GLU A 35 129.057 2.179 -10.615 1.00 0.34 C ATOM 519 C GLU A 35 129.143 3.472 -11.433 1.00 0.37 C ATOM 520 O GLU A 35 130.179 3.810 -11.971 1.00 0.39 O ATOM 521 CB GLU A 35 128.356 1.094 -11.438 1.00 0.35 C ATOM 522 CG GLU A 35 129.154 0.819 -12.718 1.00 0.93 C ATOM 523 CD GLU A 35 128.485 -0.307 -13.506 1.00 1.02 C ATOM 524 OE1 GLU A 35 127.530 -0.872 -12.999 1.00 1.67 O ATOM 525 OE2 GLU A 35 128.943 -0.590 -14.601 1.00 1.36 O ATOM 0 H GLU A 35 127.443 1.880 -9.238 1.00 0.32 H new ATOM 0 HA GLU A 35 130.062 1.841 -10.362 1.00 0.34 H new ATOM 0 HB2 GLU A 35 128.266 0.180 -10.851 1.00 0.35 H new ATOM 0 HB3 GLU A 35 127.344 1.412 -11.690 1.00 0.35 H new ATOM 0 HG2 GLU A 35 129.207 1.721 -13.327 1.00 0.93 H new ATOM 0 HG3 GLU A 35 130.178 0.543 -12.468 1.00 0.93 H new ATOM 532 N GLU A 36 128.065 4.200 -11.518 1.00 0.39 N ATOM 533 CA GLU A 36 128.077 5.478 -12.287 1.00 0.43 C ATOM 534 C GLU A 36 128.997 6.470 -11.578 1.00 0.45 C ATOM 535 O GLU A 36 129.443 7.446 -12.148 1.00 0.49 O ATOM 536 CB GLU A 36 126.658 6.050 -12.343 1.00 0.45 C ATOM 537 CG GLU A 36 125.781 5.174 -13.242 1.00 1.12 C ATOM 538 CD GLU A 36 126.179 5.381 -14.705 1.00 1.39 C ATOM 539 OE1 GLU A 36 126.642 6.463 -15.026 1.00 1.86 O ATOM 540 OE2 GLU A 36 126.009 4.455 -15.481 1.00 2.00 O ATOM 0 H GLU A 36 127.171 3.965 -11.086 1.00 0.39 H new ATOM 0 HA GLU A 36 128.435 5.299 -13.301 1.00 0.43 H new ATOM 0 HB2 GLU A 36 126.235 6.096 -11.340 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.682 7.070 -12.726 1.00 0.45 H new ATOM 0 HG2 GLU A 36 125.895 4.125 -12.968 1.00 1.12 H new ATOM 0 HG3 GLU A 36 124.730 5.428 -13.101 1.00 1.12 H new ATOM 547 N ARG A 37 129.264 6.228 -10.326 1.00 0.42 N ATOM 548 CA ARG A 37 130.136 7.154 -9.546 1.00 0.45 C ATOM 549 C ARG A 37 131.597 6.703 -9.644 1.00 0.42 C ATOM 550 O ARG A 37 132.479 7.313 -9.073 1.00 0.43 O ATOM 551 CB ARG A 37 129.691 7.138 -8.080 1.00 0.45 C ATOM 552 CG ARG A 37 128.288 7.750 -7.940 1.00 0.53 C ATOM 553 CD ARG A 37 128.364 9.283 -7.946 1.00 0.86 C ATOM 554 NE ARG A 37 127.030 9.842 -7.593 1.00 1.42 N ATOM 555 CZ ARG A 37 126.927 11.078 -7.192 1.00 1.88 C ATOM 556 NH1 ARG A 37 127.996 11.814 -7.057 1.00 2.15 N ATOM 557 NH2 ARG A 37 125.753 11.577 -6.915 1.00 2.69 N ATOM 0 H ARG A 37 128.914 5.424 -9.805 1.00 0.42 H new ATOM 0 HA ARG A 37 130.050 8.163 -9.950 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.687 6.114 -7.705 1.00 0.45 H new ATOM 0 HB3 ARG A 37 130.401 7.698 -7.471 1.00 0.45 H new ATOM 0 HG2 ARG A 37 127.653 7.409 -8.758 1.00 0.53 H new ATOM 0 HG3 ARG A 37 127.827 7.407 -7.014 1.00 0.53 H new ATOM 0 HD2 ARG A 37 129.115 9.624 -7.233 1.00 0.86 H new ATOM 0 HD3 ARG A 37 128.672 9.640 -8.929 1.00 0.86 H new ATOM 0 HE ARG A 37 126.197 9.258 -7.665 1.00 1.42 H new ATOM 0 HH11 ARG A 37 128.914 11.422 -7.265 1.00 2.15 H new ATOM 0 HH12 ARG A 37 127.913 12.781 -6.743 1.00 2.15 H new ATOM 0 HH21 ARG A 37 124.918 11.000 -7.012 1.00 2.69 H new ATOM 0 HH22 ARG A 37 125.671 12.544 -6.601 1.00 2.69 H new ATOM 571 N GLY A 38 131.868 5.656 -10.383 1.00 0.40 N ATOM 572 CA GLY A 38 133.281 5.187 -10.540 1.00 0.39 C ATOM 573 C GLY A 38 133.574 4.021 -9.596 1.00 0.37 C ATOM 574 O GLY A 38 134.659 3.910 -9.061 1.00 0.48 O ATOM 0 H GLY A 38 131.172 5.105 -10.885 1.00 0.40 H new ATOM 0 HA2 GLY A 38 133.454 4.878 -11.571 1.00 0.39 H new ATOM 0 HA3 GLY A 38 133.967 6.009 -10.334 1.00 0.39 H new ATOM 578 N PHE A 39 132.627 3.140 -9.394 1.00 0.31 N ATOM 579 CA PHE A 39 132.846 1.963 -8.498 1.00 0.28 C ATOM 580 C PHE A 39 132.355 0.710 -9.225 1.00 0.28 C ATOM 581 O PHE A 39 131.333 0.149 -8.888 1.00 0.28 O ATOM 582 CB PHE A 39 132.025 2.149 -7.225 1.00 0.27 C ATOM 583 CG PHE A 39 132.591 3.287 -6.409 1.00 0.28 C ATOM 584 CD1 PHE A 39 132.243 4.604 -6.720 1.00 0.31 C ATOM 585 CD2 PHE A 39 133.457 3.027 -5.340 1.00 0.28 C ATOM 586 CE1 PHE A 39 132.761 5.664 -5.967 1.00 0.33 C ATOM 587 CE2 PHE A 39 133.976 4.087 -4.585 1.00 0.30 C ATOM 588 CZ PHE A 39 133.628 5.405 -4.900 1.00 0.32 C ATOM 0 H PHE A 39 131.700 3.187 -9.817 1.00 0.31 H new ATOM 0 HA PHE A 39 133.902 1.869 -8.246 1.00 0.28 H new ATOM 0 HB2 PHE A 39 130.985 2.355 -7.479 1.00 0.27 H new ATOM 0 HB3 PHE A 39 132.034 1.230 -6.639 1.00 0.27 H new ATOM 0 HD1 PHE A 39 131.573 4.804 -7.543 1.00 0.31 H new ATOM 0 HD2 PHE A 39 133.725 2.009 -5.097 1.00 0.28 H new ATOM 0 HE1 PHE A 39 132.492 6.681 -6.210 1.00 0.33 H new ATOM 0 HE2 PHE A 39 134.644 3.887 -3.760 1.00 0.30 H new ATOM 0 HZ PHE A 39 134.029 6.223 -4.319 1.00 0.32 H new ATOM 598 N ASP A 40 133.057 0.284 -10.238 1.00 0.30 N ATOM 599 CA ASP A 40 132.593 -0.914 -10.994 1.00 0.31 C ATOM 600 C ASP A 40 132.921 -2.184 -10.209 1.00 0.29 C ATOM 601 O ASP A 40 132.463 -3.260 -10.542 1.00 0.30 O ATOM 602 CB ASP A 40 133.290 -0.954 -12.356 1.00 0.35 C ATOM 603 CG ASP A 40 134.800 -1.095 -12.157 1.00 0.37 C ATOM 604 OD1 ASP A 40 135.270 -0.765 -11.080 1.00 0.37 O ATOM 605 OD2 ASP A 40 135.461 -1.538 -13.082 1.00 0.41 O ATOM 0 H ASP A 40 133.922 0.707 -10.573 1.00 0.30 H new ATOM 0 HA ASP A 40 131.514 -0.855 -11.138 1.00 0.31 H new ATOM 0 HB2 ASP A 40 132.911 -1.789 -12.945 1.00 0.35 H new ATOM 0 HB3 ASP A 40 133.070 -0.044 -12.915 1.00 0.35 H new ATOM 610 N LYS A 41 133.706 -2.070 -9.166 1.00 0.28 N ATOM 611 CA LYS A 41 134.067 -3.272 -8.347 1.00 0.28 C ATOM 612 C LYS A 41 133.847 -2.945 -6.866 1.00 0.23 C ATOM 613 O LYS A 41 133.899 -1.803 -6.456 1.00 0.23 O ATOM 614 CB LYS A 41 135.539 -3.624 -8.591 1.00 0.34 C ATOM 615 CG LYS A 41 135.766 -3.934 -10.080 1.00 0.48 C ATOM 616 CD LYS A 41 135.117 -5.270 -10.466 1.00 0.74 C ATOM 617 CE LYS A 41 135.665 -5.725 -11.823 1.00 0.71 C ATOM 618 NZ LYS A 41 137.127 -5.991 -11.709 1.00 1.56 N ATOM 0 H LYS A 41 134.115 -1.193 -8.844 1.00 0.28 H new ATOM 0 HA LYS A 41 133.445 -4.121 -8.629 1.00 0.28 H new ATOM 0 HB2 LYS A 41 136.176 -2.795 -8.283 1.00 0.34 H new ATOM 0 HB3 LYS A 41 135.821 -4.485 -7.985 1.00 0.34 H new ATOM 0 HG2 LYS A 41 135.349 -3.133 -10.690 1.00 0.48 H new ATOM 0 HG3 LYS A 41 136.835 -3.971 -10.289 1.00 0.48 H new ATOM 0 HD2 LYS A 41 135.326 -6.022 -9.706 1.00 0.74 H new ATOM 0 HD3 LYS A 41 134.034 -5.160 -10.516 1.00 0.74 H new ATOM 0 HE2 LYS A 41 135.146 -6.625 -12.153 1.00 0.71 H new ATOM 0 HE3 LYS A 41 135.482 -4.958 -12.576 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 137.405 -6.708 -12.409 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 137.655 -5.112 -11.886 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 137.343 -6.338 -10.753 1.00 1.56 H new ATOM 632 N ALA A 42 133.582 -3.943 -6.069 1.00 0.21 N ATOM 633 CA ALA A 42 133.332 -3.708 -4.615 1.00 0.20 C ATOM 634 C ALA A 42 134.594 -3.196 -3.911 1.00 0.18 C ATOM 635 O ALA A 42 134.524 -2.353 -3.038 1.00 0.18 O ATOM 636 CB ALA A 42 132.892 -5.023 -3.967 1.00 0.21 C ATOM 0 H ALA A 42 133.527 -4.918 -6.363 1.00 0.21 H new ATOM 0 HA ALA A 42 132.553 -2.952 -4.515 1.00 0.20 H new ATOM 0 HB1 ALA A 42 132.707 -4.861 -2.905 1.00 0.21 H new ATOM 0 HB2 ALA A 42 131.978 -5.376 -4.445 1.00 0.21 H new ATOM 0 HB3 ALA A 42 133.677 -5.769 -4.089 1.00 0.21 H new ATOM 642 N TYR A 43 135.739 -3.719 -4.245 1.00 0.19 N ATOM 643 CA TYR A 43 136.990 -3.287 -3.554 1.00 0.18 C ATOM 644 C TYR A 43 137.187 -1.767 -3.671 1.00 0.17 C ATOM 645 O TYR A 43 137.936 -1.176 -2.921 1.00 0.17 O ATOM 646 CB TYR A 43 138.199 -4.040 -4.130 1.00 0.20 C ATOM 647 CG TYR A 43 138.662 -3.422 -5.429 1.00 0.21 C ATOM 648 CD1 TYR A 43 139.418 -2.245 -5.404 1.00 0.21 C ATOM 649 CD2 TYR A 43 138.358 -4.032 -6.650 1.00 0.24 C ATOM 650 CE1 TYR A 43 139.867 -1.678 -6.596 1.00 0.25 C ATOM 651 CE2 TYR A 43 138.808 -3.461 -7.846 1.00 0.28 C ATOM 652 CZ TYR A 43 139.562 -2.285 -7.820 1.00 0.28 C ATOM 653 OH TYR A 43 140.006 -1.726 -9.001 1.00 0.32 O ATOM 0 H TYR A 43 135.866 -4.428 -4.967 1.00 0.19 H new ATOM 0 HA TYR A 43 136.901 -3.530 -2.495 1.00 0.18 H new ATOM 0 HB2 TYR A 43 139.015 -4.028 -3.408 1.00 0.20 H new ATOM 0 HB3 TYR A 43 137.935 -5.084 -4.295 1.00 0.20 H new ATOM 0 HD1 TYR A 43 139.654 -1.775 -4.461 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.777 -4.942 -6.670 1.00 0.24 H new ATOM 0 HE1 TYR A 43 140.451 -0.770 -6.575 1.00 0.25 H new ATOM 0 HE2 TYR A 43 138.572 -3.930 -8.790 1.00 0.28 H new ATOM 0 HH TYR A 43 139.707 -2.275 -9.756 1.00 0.32 H new ATOM 663 N VAL A 44 136.517 -1.126 -4.588 1.00 0.18 N ATOM 664 CA VAL A 44 136.675 0.354 -4.719 1.00 0.18 C ATOM 665 C VAL A 44 135.815 1.018 -3.638 1.00 0.17 C ATOM 666 O VAL A 44 136.117 2.081 -3.130 1.00 0.18 O ATOM 667 CB VAL A 44 136.212 0.797 -6.114 1.00 0.20 C ATOM 668 CG1 VAL A 44 136.443 2.305 -6.296 1.00 0.22 C ATOM 669 CG2 VAL A 44 137.005 0.035 -7.179 1.00 0.24 C ATOM 0 H VAL A 44 135.871 -1.557 -5.249 1.00 0.18 H new ATOM 0 HA VAL A 44 137.718 0.644 -4.594 1.00 0.18 H new ATOM 0 HB VAL A 44 135.148 0.583 -6.218 1.00 0.20 H new ATOM 0 HG11 VAL A 44 136.111 2.607 -7.289 1.00 0.22 H new ATOM 0 HG12 VAL A 44 135.878 2.853 -5.542 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.505 2.526 -6.186 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.677 0.348 -8.170 1.00 0.24 H new ATOM 0 HG22 VAL A 44 138.068 0.249 -7.064 1.00 0.24 H new ATOM 0 HG23 VAL A 44 136.835 -1.035 -7.062 1.00 0.24 H new ATOM 679 N VAL A 45 134.748 0.360 -3.288 1.00 0.17 N ATOM 680 CA VAL A 45 133.834 0.888 -2.237 1.00 0.17 C ATOM 681 C VAL A 45 134.486 0.659 -0.875 1.00 0.16 C ATOM 682 O VAL A 45 134.401 1.485 0.014 1.00 0.16 O ATOM 683 CB VAL A 45 132.494 0.155 -2.310 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.645 0.496 -1.083 1.00 0.22 C ATOM 685 CG2 VAL A 45 131.748 0.588 -3.576 1.00 0.20 C ATOM 0 H VAL A 45 134.465 -0.534 -3.690 1.00 0.17 H new ATOM 0 HA VAL A 45 133.656 1.953 -2.387 1.00 0.17 H new ATOM 0 HB VAL A 45 132.674 -0.920 -2.335 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.692 -0.030 -1.142 1.00 0.22 H new ATOM 0 HG12 VAL A 45 132.172 0.191 -0.179 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.465 1.571 -1.052 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.792 0.067 -3.631 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.574 1.664 -3.546 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.346 0.342 -4.453 1.00 0.20 H new ATOM 695 N LEU A 46 135.163 -0.441 -0.712 1.00 0.17 N ATOM 696 CA LEU A 46 135.850 -0.707 0.579 1.00 0.18 C ATOM 697 C LEU A 46 136.854 0.424 0.796 1.00 0.17 C ATOM 698 O LEU A 46 137.046 0.908 1.892 1.00 0.18 O ATOM 699 CB LEU A 46 136.598 -2.048 0.495 1.00 0.22 C ATOM 700 CG LEU A 46 137.300 -2.372 1.833 1.00 0.25 C ATOM 701 CD1 LEU A 46 136.274 -2.869 2.863 1.00 0.40 C ATOM 702 CD2 LEU A 46 138.393 -3.441 1.608 1.00 0.35 C ATOM 0 H LEU A 46 135.270 -1.169 -1.419 1.00 0.17 H new ATOM 0 HA LEU A 46 135.134 -0.757 1.400 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.898 -2.845 0.245 1.00 0.22 H new ATOM 0 HB3 LEU A 46 137.335 -2.008 -0.307 1.00 0.22 H new ATOM 0 HG LEU A 46 137.767 -1.465 2.217 1.00 0.25 H new ATOM 0 HD11 LEU A 46 136.780 -3.094 3.802 1.00 0.40 H new ATOM 0 HD12 LEU A 46 135.524 -2.096 3.032 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.789 -3.770 2.488 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.884 -3.665 2.555 1.00 0.35 H new ATOM 0 HD22 LEU A 46 137.938 -4.349 1.212 1.00 0.35 H new ATOM 0 HD23 LEU A 46 139.129 -3.065 0.898 1.00 0.35 H new ATOM 714 N GLY A 47 137.497 0.836 -0.261 1.00 0.17 N ATOM 715 CA GLY A 47 138.503 1.927 -0.159 1.00 0.18 C ATOM 716 C GLY A 47 137.857 3.185 0.422 1.00 0.18 C ATOM 717 O GLY A 47 138.417 3.834 1.282 1.00 0.18 O ATOM 0 H GLY A 47 137.366 0.459 -1.200 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.332 1.610 0.473 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.917 2.143 -1.144 1.00 0.18 H new ATOM 721 N GLN A 48 136.679 3.538 -0.021 1.00 0.17 N ATOM 722 CA GLN A 48 136.019 4.754 0.537 1.00 0.18 C ATOM 723 C GLN A 48 135.823 4.569 2.047 1.00 0.17 C ATOM 724 O GLN A 48 136.064 5.465 2.831 1.00 0.18 O ATOM 725 CB GLN A 48 134.663 4.955 -0.147 1.00 0.19 C ATOM 726 CG GLN A 48 134.046 6.283 0.304 1.00 0.22 C ATOM 727 CD GLN A 48 134.905 7.449 -0.192 1.00 0.28 C ATOM 728 OE1 GLN A 48 135.206 7.542 -1.366 1.00 0.98 O ATOM 729 NE2 GLN A 48 135.316 8.349 0.659 1.00 1.09 N ATOM 0 H GLN A 48 136.150 3.042 -0.738 1.00 0.17 H new ATOM 0 HA GLN A 48 136.641 5.631 0.358 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.787 4.950 -1.230 1.00 0.19 H new ATOM 0 HB3 GLN A 48 133.995 4.130 0.101 1.00 0.19 H new ATOM 0 HG2 GLN A 48 133.032 6.375 -0.086 1.00 0.22 H new ATOM 0 HG3 GLN A 48 133.973 6.310 1.391 1.00 0.22 H new ATOM 0 HE21 GLN A 48 135.064 8.272 1.644 1.00 1.09 H new ATOM 0 HE22 GLN A 48 135.889 9.130 0.339 1.00 1.09 H new ATOM 738 N PHE A 49 135.402 3.401 2.458 1.00 0.17 N ATOM 739 CA PHE A 49 135.205 3.131 3.916 1.00 0.17 C ATOM 740 C PHE A 49 136.540 3.319 4.641 1.00 0.18 C ATOM 741 O PHE A 49 136.609 3.893 5.709 1.00 0.19 O ATOM 742 CB PHE A 49 134.704 1.690 4.078 1.00 0.17 C ATOM 743 CG PHE A 49 134.649 1.305 5.539 1.00 0.19 C ATOM 744 CD1 PHE A 49 133.647 1.826 6.368 1.00 0.23 C ATOM 745 CD2 PHE A 49 135.591 0.408 6.061 1.00 0.28 C ATOM 746 CE1 PHE A 49 133.590 1.450 7.718 1.00 0.26 C ATOM 747 CE2 PHE A 49 135.536 0.036 7.407 1.00 0.31 C ATOM 748 CZ PHE A 49 134.535 0.557 8.237 1.00 0.26 C ATOM 0 H PHE A 49 135.184 2.617 1.843 1.00 0.17 H new ATOM 0 HA PHE A 49 134.474 3.818 4.343 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.714 1.592 3.633 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.363 1.008 3.541 1.00 0.17 H new ATOM 0 HD1 PHE A 49 132.919 2.516 5.968 1.00 0.23 H new ATOM 0 HD2 PHE A 49 136.361 0.003 5.421 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.817 1.850 8.357 1.00 0.26 H new ATOM 0 HE2 PHE A 49 136.265 -0.653 7.807 1.00 0.31 H new ATOM 0 HZ PHE A 49 134.492 0.270 9.277 1.00 0.26 H new ATOM 758 N LEU A 50 137.593 2.840 4.059 1.00 0.19 N ATOM 759 CA LEU A 50 138.927 2.990 4.709 1.00 0.21 C ATOM 760 C LEU A 50 139.326 4.472 4.679 1.00 0.21 C ATOM 761 O LEU A 50 139.908 4.987 5.611 1.00 0.23 O ATOM 762 CB LEU A 50 139.962 2.145 3.961 1.00 0.23 C ATOM 763 CG LEU A 50 139.553 0.663 4.001 1.00 0.23 C ATOM 764 CD1 LEU A 50 140.464 -0.141 3.068 1.00 0.28 C ATOM 765 CD2 LEU A 50 139.668 0.110 5.431 1.00 0.28 C ATOM 0 H LEU A 50 137.595 2.351 3.164 1.00 0.19 H new ATOM 0 HA LEU A 50 138.882 2.647 5.743 1.00 0.21 H new ATOM 0 HB2 LEU A 50 140.041 2.482 2.927 1.00 0.23 H new ATOM 0 HB3 LEU A 50 140.945 2.273 4.414 1.00 0.23 H new ATOM 0 HG LEU A 50 138.517 0.575 3.674 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.176 -1.192 3.095 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.366 0.236 2.050 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.499 -0.040 3.394 1.00 0.28 H new ATOM 0 HD21 LEU A 50 139.375 -0.940 5.440 1.00 0.28 H new ATOM 0 HD22 LEU A 50 140.698 0.202 5.775 1.00 0.28 H new ATOM 0 HD23 LEU A 50 139.013 0.675 6.094 1.00 0.28 H new ATOM 777 N VAL A 51 139.023 5.154 3.611 1.00 0.21 N ATOM 778 CA VAL A 51 139.389 6.599 3.507 1.00 0.23 C ATOM 779 C VAL A 51 138.614 7.416 4.555 1.00 0.23 C ATOM 780 O VAL A 51 139.020 8.496 4.933 1.00 0.24 O ATOM 781 CB VAL A 51 139.063 7.098 2.090 1.00 0.25 C ATOM 782 CG1 VAL A 51 139.109 8.628 2.038 1.00 0.28 C ATOM 783 CG2 VAL A 51 140.095 6.535 1.108 1.00 0.27 C ATOM 0 H VAL A 51 138.535 4.773 2.800 1.00 0.21 H new ATOM 0 HA VAL A 51 140.455 6.723 3.697 1.00 0.23 H new ATOM 0 HB VAL A 51 138.062 6.763 1.820 1.00 0.25 H new ATOM 0 HG11 VAL A 51 138.876 8.965 1.028 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.378 9.038 2.735 1.00 0.28 H new ATOM 0 HG13 VAL A 51 140.106 8.972 2.314 1.00 0.28 H new ATOM 0 HG21 VAL A 51 139.868 6.886 0.101 1.00 0.27 H new ATOM 0 HG22 VAL A 51 141.091 6.872 1.394 1.00 0.27 H new ATOM 0 HG23 VAL A 51 140.061 5.446 1.129 1.00 0.27 H new ATOM 793 N LEU A 52 137.500 6.912 5.019 1.00 0.22 N ATOM 794 CA LEU A 52 136.699 7.668 6.038 1.00 0.23 C ATOM 795 C LEU A 52 137.116 7.238 7.449 1.00 0.23 C ATOM 796 O LEU A 52 136.421 7.493 8.413 1.00 0.24 O ATOM 797 CB LEU A 52 135.205 7.392 5.836 1.00 0.24 C ATOM 798 CG LEU A 52 134.734 7.971 4.493 1.00 0.25 C ATOM 799 CD1 LEU A 52 133.263 7.606 4.285 1.00 0.31 C ATOM 800 CD2 LEU A 52 134.886 9.507 4.485 1.00 0.27 C ATOM 0 H LEU A 52 137.108 6.013 4.740 1.00 0.22 H new ATOM 0 HA LEU A 52 136.886 8.735 5.917 1.00 0.23 H new ATOM 0 HB2 LEU A 52 135.020 6.318 5.862 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.633 7.834 6.651 1.00 0.24 H new ATOM 0 HG LEU A 52 135.343 7.555 3.691 1.00 0.25 H new ATOM 0 HD11 LEU A 52 132.918 8.012 3.334 1.00 0.31 H new ATOM 0 HD12 LEU A 52 133.155 6.521 4.277 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.666 8.024 5.096 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.548 9.901 3.527 1.00 0.27 H new ATOM 0 HD22 LEU A 52 134.285 9.936 5.286 1.00 0.27 H new ATOM 0 HD23 LEU A 52 135.933 9.770 4.636 1.00 0.27 H new ATOM 812 N LYS A 53 138.247 6.603 7.586 1.00 0.22 N ATOM 813 CA LYS A 53 138.712 6.174 8.939 1.00 0.23 C ATOM 814 C LYS A 53 137.598 5.427 9.677 1.00 0.24 C ATOM 815 O LYS A 53 137.419 5.594 10.867 1.00 0.30 O ATOM 816 CB LYS A 53 139.125 7.399 9.754 1.00 0.29 C ATOM 817 CG LYS A 53 140.273 8.122 9.046 1.00 0.38 C ATOM 818 CD LYS A 53 140.682 9.345 9.866 1.00 0.49 C ATOM 819 CE LYS A 53 141.812 10.091 9.153 1.00 0.90 C ATOM 820 NZ LYS A 53 142.865 9.124 8.732 1.00 1.70 N ATOM 0 H LYS A 53 138.873 6.361 6.818 1.00 0.22 H new ATOM 0 HA LYS A 53 139.565 5.507 8.817 1.00 0.23 H new ATOM 0 HB2 LYS A 53 138.276 8.072 9.873 1.00 0.29 H new ATOM 0 HB3 LYS A 53 139.434 7.096 10.754 1.00 0.29 H new ATOM 0 HG2 LYS A 53 141.122 7.450 8.926 1.00 0.38 H new ATOM 0 HG3 LYS A 53 139.964 8.427 8.046 1.00 0.38 H new ATOM 0 HD2 LYS A 53 139.826 10.006 10.002 1.00 0.49 H new ATOM 0 HD3 LYS A 53 141.007 9.036 10.859 1.00 0.49 H new ATOM 0 HE2 LYS A 53 141.420 10.619 8.283 1.00 0.90 H new ATOM 0 HE3 LYS A 53 142.239 10.843 9.816 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 143.703 9.645 8.403 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 143.126 8.522 9.539 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 142.502 8.529 7.960 1.00 1.70 H new ATOM 834 N LYS A 54 136.852 4.602 8.984 1.00 0.22 N ATOM 835 CA LYS A 54 135.751 3.818 9.623 1.00 0.25 C ATOM 836 C LYS A 54 134.761 4.771 10.296 1.00 0.27 C ATOM 837 O LYS A 54 133.985 4.366 11.140 1.00 0.33 O ATOM 838 CB LYS A 54 136.340 2.875 10.681 1.00 0.35 C ATOM 839 CG LYS A 54 137.330 1.912 10.020 1.00 0.67 C ATOM 840 CD LYS A 54 137.912 0.975 11.081 1.00 0.83 C ATOM 841 CE LYS A 54 138.903 0.008 10.427 1.00 1.41 C ATOM 842 NZ LYS A 54 138.215 -0.771 9.361 1.00 2.24 N ATOM 0 H LYS A 54 136.963 4.436 7.984 1.00 0.22 H new ATOM 0 HA LYS A 54 135.235 3.237 8.858 1.00 0.25 H new ATOM 0 HB2 LYS A 54 136.842 3.452 11.457 1.00 0.35 H new ATOM 0 HB3 LYS A 54 135.542 2.314 11.167 1.00 0.35 H new ATOM 0 HG2 LYS A 54 136.829 1.334 9.244 1.00 0.67 H new ATOM 0 HG3 LYS A 54 138.130 2.471 9.535 1.00 0.67 H new ATOM 0 HD2 LYS A 54 138.412 1.554 11.857 1.00 0.83 H new ATOM 0 HD3 LYS A 54 137.111 0.417 11.566 1.00 0.83 H new ATOM 0 HE2 LYS A 54 139.740 0.562 10.003 1.00 1.41 H new ATOM 0 HE3 LYS A 54 139.315 -0.668 11.176 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 138.808 -1.579 9.084 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 137.302 -1.118 9.719 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 138.053 -0.161 8.535 1.00 2.24 H new ATOM 856 N ASP A 55 134.753 6.023 9.929 1.00 0.29 N ATOM 857 CA ASP A 55 133.778 6.958 10.558 1.00 0.39 C ATOM 858 C ASP A 55 132.375 6.591 10.054 1.00 0.37 C ATOM 859 O ASP A 55 132.040 6.786 8.903 1.00 0.37 O ATOM 860 CB ASP A 55 134.133 8.395 10.173 1.00 0.46 C ATOM 861 CG ASP A 55 133.125 9.368 10.794 1.00 1.18 C ATOM 862 OD1 ASP A 55 131.950 9.040 10.825 1.00 1.80 O ATOM 863 OD2 ASP A 55 133.547 10.428 11.227 1.00 1.55 O ATOM 0 H ASP A 55 135.371 6.435 9.230 1.00 0.29 H new ATOM 0 HA ASP A 55 133.808 6.879 11.645 1.00 0.39 H new ATOM 0 HB2 ASP A 55 135.140 8.634 10.515 1.00 0.46 H new ATOM 0 HB3 ASP A 55 134.132 8.500 9.088 1.00 0.46 H new ATOM 868 N GLU A 56 131.571 6.026 10.913 1.00 0.38 N ATOM 869 CA GLU A 56 130.197 5.586 10.524 1.00 0.37 C ATOM 870 C GLU A 56 129.318 6.752 10.046 1.00 0.38 C ATOM 871 O GLU A 56 128.550 6.611 9.117 1.00 0.37 O ATOM 872 CB GLU A 56 129.541 4.928 11.743 1.00 0.39 C ATOM 873 CG GLU A 56 128.125 4.456 11.394 1.00 0.41 C ATOM 874 CD GLU A 56 127.534 3.709 12.591 1.00 0.62 C ATOM 875 OE1 GLU A 56 128.273 3.457 13.529 1.00 0.87 O ATOM 876 OE2 GLU A 56 126.356 3.399 12.548 1.00 0.85 O ATOM 0 H GLU A 56 131.812 5.847 11.888 1.00 0.38 H new ATOM 0 HA GLU A 56 130.287 4.888 9.691 1.00 0.37 H new ATOM 0 HB2 GLU A 56 130.142 4.082 12.076 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.502 5.636 12.570 1.00 0.39 H new ATOM 0 HG2 GLU A 56 127.497 5.309 11.137 1.00 0.41 H new ATOM 0 HG3 GLU A 56 128.151 3.805 10.520 1.00 0.41 H new ATOM 883 N ASP A 57 129.396 7.889 10.676 1.00 0.40 N ATOM 884 CA ASP A 57 128.529 9.032 10.254 1.00 0.41 C ATOM 885 C ASP A 57 128.966 9.555 8.884 1.00 0.40 C ATOM 886 O ASP A 57 128.150 9.876 8.043 1.00 0.40 O ATOM 887 CB ASP A 57 128.640 10.152 11.290 1.00 0.45 C ATOM 888 CG ASP A 57 127.954 9.718 12.586 1.00 0.47 C ATOM 889 OD1 ASP A 57 127.138 8.811 12.528 1.00 0.64 O ATOM 890 OD2 ASP A 57 128.258 10.295 13.616 1.00 0.73 O ATOM 0 H ASP A 57 130.018 8.080 11.462 1.00 0.40 H new ATOM 0 HA ASP A 57 127.496 8.691 10.183 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.688 10.383 11.481 1.00 0.45 H new ATOM 0 HB3 ASP A 57 128.177 11.062 10.908 1.00 0.45 H new ATOM 895 N LEU A 58 130.234 9.629 8.646 1.00 0.40 N ATOM 896 CA LEU A 58 130.690 10.116 7.314 1.00 0.40 C ATOM 897 C LEU A 58 130.362 9.059 6.258 1.00 0.37 C ATOM 898 O LEU A 58 129.948 9.373 5.160 1.00 0.38 O ATOM 899 CB LEU A 58 132.196 10.386 7.322 1.00 0.40 C ATOM 900 CG LEU A 58 132.529 11.521 8.304 1.00 0.47 C ATOM 901 CD1 LEU A 58 134.052 11.661 8.415 1.00 0.45 C ATOM 902 CD2 LEU A 58 131.925 12.852 7.809 1.00 0.55 C ATOM 0 H LEU A 58 130.973 9.378 9.302 1.00 0.40 H new ATOM 0 HA LEU A 58 130.176 11.049 7.082 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.733 9.481 7.606 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.530 10.654 6.319 1.00 0.40 H new ATOM 0 HG LEU A 58 132.105 11.284 9.280 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.294 12.465 9.110 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.478 10.726 8.779 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.469 11.892 7.435 1.00 0.45 H new ATOM 0 HD21 LEU A 58 132.169 13.647 8.514 1.00 0.55 H new ATOM 0 HD22 LEU A 58 132.337 13.097 6.830 1.00 0.55 H new ATOM 0 HD23 LEU A 58 130.842 12.754 7.733 1.00 0.55 H new ATOM 914 N PHE A 59 130.530 7.806 6.589 1.00 0.36 N ATOM 915 CA PHE A 59 130.211 6.724 5.614 1.00 0.35 C ATOM 916 C PHE A 59 128.716 6.734 5.290 1.00 0.35 C ATOM 917 O PHE A 59 128.318 6.707 4.143 1.00 0.35 O ATOM 918 CB PHE A 59 130.588 5.370 6.218 1.00 0.34 C ATOM 919 CG PHE A 59 130.268 4.269 5.236 1.00 0.33 C ATOM 920 CD1 PHE A 59 131.232 3.860 4.310 1.00 0.35 C ATOM 921 CD2 PHE A 59 129.010 3.657 5.254 1.00 0.36 C ATOM 922 CE1 PHE A 59 130.941 2.838 3.400 1.00 0.36 C ATOM 923 CE2 PHE A 59 128.717 2.634 4.343 1.00 0.38 C ATOM 924 CZ PHE A 59 129.683 2.225 3.416 1.00 0.36 C ATOM 0 H PHE A 59 130.875 7.486 7.494 1.00 0.36 H new ATOM 0 HA PHE A 59 130.777 6.891 4.698 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.650 5.354 6.464 1.00 0.34 H new ATOM 0 HB3 PHE A 59 130.042 5.211 7.148 1.00 0.34 H new ATOM 0 HD1 PHE A 59 132.203 4.334 4.297 1.00 0.35 H new ATOM 0 HD2 PHE A 59 128.265 3.973 5.970 1.00 0.36 H new ATOM 0 HE1 PHE A 59 131.687 2.522 2.686 1.00 0.36 H new ATOM 0 HE2 PHE A 59 127.746 2.161 4.356 1.00 0.38 H new ATOM 0 HZ PHE A 59 129.457 1.437 2.713 1.00 0.36 H new ATOM 934 N ARG A 60 127.886 6.752 6.300 1.00 0.37 N ATOM 935 CA ARG A 60 126.416 6.739 6.056 1.00 0.38 C ATOM 936 C ARG A 60 125.997 7.957 5.234 1.00 0.39 C ATOM 937 O ARG A 60 125.252 7.841 4.281 1.00 0.39 O ATOM 938 CB ARG A 60 125.675 6.748 7.396 1.00 0.42 C ATOM 939 CG ARG A 60 125.867 5.402 8.101 1.00 0.43 C ATOM 940 CD ARG A 60 125.190 5.444 9.473 1.00 0.50 C ATOM 941 NE ARG A 60 123.712 5.519 9.298 1.00 1.31 N ATOM 942 CZ ARG A 60 122.923 5.284 10.309 1.00 1.55 C ATOM 943 NH1 ARG A 60 123.427 4.993 11.477 1.00 1.16 N ATOM 944 NH2 ARG A 60 121.628 5.342 10.155 1.00 2.64 N ATOM 0 H ARG A 60 128.163 6.775 7.281 1.00 0.37 H new ATOM 0 HA ARG A 60 126.162 5.837 5.499 1.00 0.38 H new ATOM 0 HB2 ARG A 60 126.050 7.556 8.025 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.614 6.937 7.234 1.00 0.42 H new ATOM 0 HG2 ARG A 60 125.442 4.600 7.498 1.00 0.43 H new ATOM 0 HG3 ARG A 60 126.930 5.187 8.214 1.00 0.43 H new ATOM 0 HD2 ARG A 60 125.454 4.556 10.047 1.00 0.50 H new ATOM 0 HD3 ARG A 60 125.544 6.306 10.038 1.00 0.50 H new ATOM 0 HE ARG A 60 123.318 5.754 8.387 1.00 1.31 H new ATOM 0 HH11 ARG A 60 124.439 4.949 11.599 1.00 1.16 H new ATOM 0 HH12 ARG A 60 122.809 4.809 12.268 1.00 1.16 H new ATOM 0 HH21 ARG A 60 121.233 5.571 9.243 1.00 2.64 H new ATOM 0 HH22 ARG A 60 121.012 5.158 10.947 1.00 2.64 H new ATOM 958 N GLU A 61 126.464 9.124 5.585 1.00 0.41 N ATOM 959 CA GLU A 61 126.085 10.335 4.811 1.00 0.44 C ATOM 960 C GLU A 61 126.666 10.230 3.398 1.00 0.42 C ATOM 961 O GLU A 61 126.039 10.609 2.430 1.00 0.42 O ATOM 962 CB GLU A 61 126.630 11.579 5.519 1.00 0.48 C ATOM 963 CG GLU A 61 126.230 12.839 4.749 1.00 1.29 C ATOM 964 CD GLU A 61 126.778 14.069 5.474 1.00 1.76 C ATOM 965 OE1 GLU A 61 127.252 13.914 6.586 1.00 2.37 O ATOM 966 OE2 GLU A 61 126.714 15.146 4.904 1.00 2.32 O ATOM 0 H GLU A 61 127.090 9.289 6.373 1.00 0.41 H new ATOM 0 HA GLU A 61 125.000 10.413 4.745 1.00 0.44 H new ATOM 0 HB2 GLU A 61 126.243 11.627 6.537 1.00 0.48 H new ATOM 0 HB3 GLU A 61 127.716 11.518 5.594 1.00 0.48 H new ATOM 0 HG2 GLU A 61 126.621 12.797 3.732 1.00 1.29 H new ATOM 0 HG3 GLU A 61 125.145 12.902 4.671 1.00 1.29 H new ATOM 973 N TRP A 62 127.859 9.718 3.270 1.00 0.40 N ATOM 974 CA TRP A 62 128.471 9.593 1.915 1.00 0.38 C ATOM 975 C TRP A 62 127.698 8.592 1.052 1.00 0.36 C ATOM 976 O TRP A 62 127.375 8.861 -0.087 1.00 0.36 O ATOM 977 CB TRP A 62 129.924 9.112 2.045 1.00 0.38 C ATOM 978 CG TRP A 62 130.454 8.753 0.689 1.00 0.36 C ATOM 979 CD1 TRP A 62 130.976 9.625 -0.201 1.00 0.38 C ATOM 980 CD2 TRP A 62 130.491 7.442 0.051 1.00 0.34 C ATOM 981 NE1 TRP A 62 131.341 8.933 -1.344 1.00 0.37 N ATOM 982 CE2 TRP A 62 131.061 7.583 -1.236 1.00 0.35 C ATOM 983 CE3 TRP A 62 130.093 6.156 0.463 1.00 0.32 C ATOM 984 CZ2 TRP A 62 131.228 6.484 -2.086 1.00 0.34 C ATOM 985 CZ3 TRP A 62 130.263 5.052 -0.388 1.00 0.31 C ATOM 986 CH2 TRP A 62 130.828 5.217 -1.659 1.00 0.32 C ATOM 0 H TRP A 62 128.436 9.382 4.041 1.00 0.40 H new ATOM 0 HA TRP A 62 128.437 10.573 1.439 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.538 9.893 2.492 1.00 0.38 H new ATOM 0 HB3 TRP A 62 129.975 8.248 2.708 1.00 0.38 H new ATOM 0 HD1 TRP A 62 131.090 10.688 -0.047 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.764 9.366 -2.165 1.00 0.37 H new ATOM 0 HE3 TRP A 62 129.654 6.018 1.440 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 131.663 6.615 -3.066 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 129.956 4.070 -0.060 1.00 0.31 H new ATOM 0 HH2 TRP A 62 130.954 4.364 -2.309 1.00 0.32 H new ATOM 997 N LEU A 63 127.413 7.439 1.578 1.00 0.34 N ATOM 998 CA LEU A 63 126.682 6.424 0.775 1.00 0.32 C ATOM 999 C LEU A 63 125.272 6.932 0.490 1.00 0.33 C ATOM 1000 O LEU A 63 124.794 6.879 -0.627 1.00 0.32 O ATOM 1001 CB LEU A 63 126.627 5.111 1.566 1.00 0.31 C ATOM 1002 CG LEU A 63 125.878 4.031 0.771 1.00 0.31 C ATOM 1003 CD1 LEU A 63 126.616 3.722 -0.541 1.00 0.30 C ATOM 1004 CD2 LEU A 63 125.792 2.761 1.624 1.00 0.32 C ATOM 0 H LEU A 63 127.653 7.154 2.527 1.00 0.34 H new ATOM 0 HA LEU A 63 127.192 6.250 -0.172 1.00 0.32 H new ATOM 0 HB2 LEU A 63 127.639 4.771 1.787 1.00 0.31 H new ATOM 0 HB3 LEU A 63 126.130 5.277 2.522 1.00 0.31 H new ATOM 0 HG LEU A 63 124.878 4.390 0.529 1.00 0.31 H new ATOM 0 HD11 LEU A 63 126.072 2.955 -1.092 1.00 0.30 H new ATOM 0 HD12 LEU A 63 126.679 4.627 -1.145 1.00 0.30 H new ATOM 0 HD13 LEU A 63 127.621 3.364 -0.318 1.00 0.30 H new ATOM 0 HD21 LEU A 63 125.262 1.986 1.070 1.00 0.32 H new ATOM 0 HD22 LEU A 63 126.797 2.414 1.862 1.00 0.32 H new ATOM 0 HD23 LEU A 63 125.255 2.979 2.547 1.00 0.32 H new ATOM 1016 N LYS A 64 124.609 7.439 1.487 1.00 0.35 N ATOM 1017 CA LYS A 64 123.237 7.973 1.278 1.00 0.37 C ATOM 1018 C LYS A 64 123.302 9.152 0.308 1.00 0.39 C ATOM 1019 O LYS A 64 122.524 9.261 -0.618 1.00 0.39 O ATOM 1020 CB LYS A 64 122.654 8.427 2.617 1.00 0.41 C ATOM 1021 CG LYS A 64 121.237 8.967 2.402 1.00 0.43 C ATOM 1022 CD LYS A 64 120.622 9.326 3.754 1.00 0.68 C ATOM 1023 CE LYS A 64 119.198 9.844 3.545 1.00 1.25 C ATOM 1024 NZ LYS A 64 118.658 10.352 4.838 1.00 2.11 N ATOM 0 H LYS A 64 124.959 7.507 2.443 1.00 0.35 H new ATOM 0 HA LYS A 64 122.597 7.196 0.860 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.634 7.593 3.318 1.00 0.41 H new ATOM 0 HB3 LYS A 64 123.285 9.199 3.058 1.00 0.41 H new ATOM 0 HG2 LYS A 64 121.264 9.846 1.757 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.624 8.220 1.897 1.00 0.43 H new ATOM 0 HD2 LYS A 64 120.610 8.451 4.404 1.00 0.68 H new ATOM 0 HD3 LYS A 64 121.227 10.084 4.251 1.00 0.68 H new ATOM 0 HE2 LYS A 64 119.195 10.640 2.800 1.00 1.25 H new ATOM 0 HE3 LYS A 64 118.562 9.046 3.162 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 117.690 10.704 4.696 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 118.647 9.581 5.536 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 119.260 11.126 5.186 1.00 2.11 H new ATOM 1038 N ASP A 65 124.239 10.034 0.522 1.00 0.41 N ATOM 1039 CA ASP A 65 124.386 11.218 -0.370 1.00 0.45 C ATOM 1040 C ASP A 65 124.887 10.774 -1.743 1.00 0.43 C ATOM 1041 O ASP A 65 124.596 11.388 -2.750 1.00 0.46 O ATOM 1042 CB ASP A 65 125.388 12.197 0.243 1.00 0.49 C ATOM 1043 CG ASP A 65 125.515 13.428 -0.658 1.00 1.17 C ATOM 1044 OD1 ASP A 65 126.068 13.295 -1.736 1.00 1.90 O ATOM 1045 OD2 ASP A 65 125.056 14.484 -0.251 1.00 1.42 O ATOM 0 H ASP A 65 124.915 9.984 1.284 1.00 0.41 H new ATOM 0 HA ASP A 65 123.417 11.706 -0.480 1.00 0.45 H new ATOM 0 HB2 ASP A 65 125.059 12.494 1.239 1.00 0.49 H new ATOM 0 HB3 ASP A 65 126.359 11.716 0.358 1.00 0.49 H new ATOM 1050 N THR A 66 125.675 9.735 -1.788 1.00 0.40 N ATOM 1051 CA THR A 66 126.239 9.278 -3.088 1.00 0.39 C ATOM 1052 C THR A 66 125.226 8.447 -3.877 1.00 0.39 C ATOM 1053 O THR A 66 125.268 8.442 -5.092 1.00 0.41 O ATOM 1054 CB THR A 66 127.493 8.436 -2.831 1.00 0.38 C ATOM 1055 OG1 THR A 66 128.457 9.223 -2.145 1.00 0.37 O ATOM 1056 CG2 THR A 66 128.075 7.967 -4.166 1.00 0.39 C ATOM 0 H THR A 66 125.953 9.182 -0.977 1.00 0.40 H new ATOM 0 HA THR A 66 126.489 10.160 -3.677 1.00 0.39 H new ATOM 0 HB THR A 66 127.232 7.569 -2.224 1.00 0.38 H new ATOM 0 HG1 THR A 66 128.418 9.025 -1.186 1.00 0.37 H new ATOM 0 HG21 THR A 66 128.967 7.368 -3.984 1.00 0.39 H new ATOM 0 HG22 THR A 66 127.335 7.365 -4.694 1.00 0.39 H new ATOM 0 HG23 THR A 66 128.338 8.833 -4.773 1.00 0.39 H new ATOM 1064 N CYS A 67 124.343 7.710 -3.235 1.00 0.37 N ATOM 1065 CA CYS A 67 123.377 6.855 -4.008 1.00 0.38 C ATOM 1066 C CYS A 67 121.942 7.015 -3.501 1.00 0.37 C ATOM 1067 O CYS A 67 120.996 6.796 -4.231 1.00 0.40 O ATOM 1068 CB CYS A 67 123.793 5.393 -3.858 1.00 0.37 C ATOM 1069 SG CYS A 67 123.627 4.893 -2.127 1.00 0.36 S ATOM 0 H CYS A 67 124.250 7.663 -2.220 1.00 0.37 H new ATOM 0 HA CYS A 67 123.402 7.169 -5.051 1.00 0.38 H new ATOM 0 HB2 CYS A 67 123.172 4.760 -4.492 1.00 0.37 H new ATOM 0 HB3 CYS A 67 124.823 5.261 -4.189 1.00 0.37 H new ATOM 0 HG CYS A 67 124.391 5.638 -1.385 1.00 0.36 H new ATOM 1075 N GLY A 68 121.769 7.384 -2.258 1.00 0.36 N ATOM 1076 CA GLY A 68 120.389 7.548 -1.697 1.00 0.36 C ATOM 1077 C GLY A 68 120.053 6.344 -0.810 1.00 0.34 C ATOM 1078 O GLY A 68 118.914 6.140 -0.438 1.00 0.34 O ATOM 0 H GLY A 68 122.526 7.580 -1.603 1.00 0.36 H new ATOM 0 HA2 GLY A 68 120.327 8.469 -1.117 1.00 0.36 H new ATOM 0 HA3 GLY A 68 119.663 7.631 -2.506 1.00 0.36 H new ATOM 1082 N ALA A 69 121.028 5.546 -0.464 1.00 0.33 N ATOM 1083 CA ALA A 69 120.748 4.364 0.402 1.00 0.32 C ATOM 1084 C ALA A 69 119.948 4.814 1.627 1.00 0.31 C ATOM 1085 O ALA A 69 120.018 5.953 2.039 1.00 0.32 O ATOM 1086 CB ALA A 69 122.067 3.736 0.855 1.00 0.32 C ATOM 0 H ALA A 69 122.003 5.661 -0.742 1.00 0.33 H new ATOM 0 HA ALA A 69 120.173 3.628 -0.160 1.00 0.32 H new ATOM 0 HB1 ALA A 69 121.861 2.873 1.488 1.00 0.32 H new ATOM 0 HB2 ALA A 69 122.637 3.418 -0.018 1.00 0.32 H new ATOM 0 HB3 ALA A 69 122.644 4.469 1.419 1.00 0.32 H new ATOM 1092 N ASN A 70 119.173 3.935 2.205 1.00 0.30 N ATOM 1093 CA ASN A 70 118.353 4.325 3.392 1.00 0.30 C ATOM 1094 C ASN A 70 119.121 4.035 4.685 1.00 0.30 C ATOM 1095 O ASN A 70 120.198 3.474 4.674 1.00 0.29 O ATOM 1096 CB ASN A 70 117.051 3.522 3.391 1.00 0.30 C ATOM 1097 CG ASN A 70 116.219 3.898 2.161 1.00 1.06 C ATOM 1098 OD1 ASN A 70 115.949 3.065 1.319 1.00 1.90 O ATOM 1099 ND2 ASN A 70 115.797 5.125 2.024 1.00 1.77 N ATOM 0 H ASN A 70 119.072 2.965 1.908 1.00 0.30 H new ATOM 0 HA ASN A 70 118.135 5.392 3.338 1.00 0.30 H new ATOM 0 HB2 ASN A 70 117.270 2.454 3.382 1.00 0.30 H new ATOM 0 HB3 ASN A 70 116.486 3.724 4.301 1.00 0.30 H new ATOM 0 HD21 ASN A 70 115.240 5.385 1.210 1.00 1.77 H new ATOM 0 HD22 ASN A 70 116.024 5.824 2.731 1.00 1.77 H new ATOM 1106 N ALA A 71 118.568 4.434 5.797 1.00 0.32 N ATOM 1107 CA ALA A 71 119.240 4.214 7.111 1.00 0.34 C ATOM 1108 C ALA A 71 119.462 2.719 7.366 1.00 0.32 C ATOM 1109 O ALA A 71 120.464 2.325 7.928 1.00 0.32 O ATOM 1110 CB ALA A 71 118.365 4.785 8.226 1.00 0.39 C ATOM 0 H ALA A 71 117.667 4.909 5.853 1.00 0.32 H new ATOM 0 HA ALA A 71 120.208 4.715 7.094 1.00 0.34 H new ATOM 0 HB1 ALA A 71 118.852 4.626 9.188 1.00 0.39 H new ATOM 0 HB2 ALA A 71 118.220 5.853 8.064 1.00 0.39 H new ATOM 0 HB3 ALA A 71 117.397 4.283 8.222 1.00 0.39 H new ATOM 1116 N LYS A 72 118.542 1.881 6.973 1.00 0.30 N ATOM 1117 CA LYS A 72 118.732 0.424 7.223 1.00 0.29 C ATOM 1118 C LYS A 72 119.764 -0.138 6.243 1.00 0.27 C ATOM 1119 O LYS A 72 120.566 -0.983 6.589 1.00 0.27 O ATOM 1120 CB LYS A 72 117.398 -0.312 7.073 1.00 0.29 C ATOM 1121 CG LYS A 72 116.863 -0.136 5.654 1.00 1.18 C ATOM 1122 CD LYS A 72 115.473 -0.765 5.556 1.00 1.29 C ATOM 1123 CE LYS A 72 114.973 -0.674 4.115 1.00 2.11 C ATOM 1124 NZ LYS A 72 115.888 -1.441 3.225 1.00 2.58 N ATOM 0 H LYS A 72 117.678 2.137 6.496 1.00 0.30 H new ATOM 0 HA LYS A 72 119.096 0.279 8.240 1.00 0.29 H new ATOM 0 HB2 LYS A 72 117.531 -1.372 7.292 1.00 0.29 H new ATOM 0 HB3 LYS A 72 116.677 0.074 7.793 1.00 0.29 H new ATOM 0 HG2 LYS A 72 116.814 0.923 5.400 1.00 1.18 H new ATOM 0 HG3 LYS A 72 117.538 -0.605 4.938 1.00 1.18 H new ATOM 0 HD2 LYS A 72 115.510 -1.807 5.874 1.00 1.29 H new ATOM 0 HD3 LYS A 72 114.782 -0.252 6.225 1.00 1.29 H new ATOM 0 HE2 LYS A 72 113.961 -1.072 4.044 1.00 2.11 H new ATOM 0 HE3 LYS A 72 114.929 0.368 3.799 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 115.377 -1.729 2.366 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 116.698 -0.844 2.962 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 116.229 -2.287 3.724 1.00 2.58 H new ATOM 1138 N GLN A 73 119.744 0.318 5.017 1.00 0.26 N ATOM 1139 CA GLN A 73 120.712 -0.194 4.006 1.00 0.25 C ATOM 1140 C GLN A 73 122.128 0.237 4.374 1.00 0.25 C ATOM 1141 O GLN A 73 123.077 -0.503 4.207 1.00 0.25 O ATOM 1142 CB GLN A 73 120.365 0.365 2.620 1.00 0.26 C ATOM 1143 CG GLN A 73 119.012 -0.182 2.147 1.00 0.29 C ATOM 1144 CD GLN A 73 119.088 -1.701 1.985 1.00 1.24 C ATOM 1145 OE1 GLN A 73 119.771 -2.199 1.112 1.00 2.12 O ATOM 1146 NE2 GLN A 73 118.414 -2.465 2.801 1.00 1.88 N ATOM 0 H GLN A 73 119.095 1.026 4.673 1.00 0.26 H new ATOM 0 HA GLN A 73 120.654 -1.282 3.988 1.00 0.25 H new ATOM 0 HB2 GLN A 73 120.331 1.454 2.658 1.00 0.26 H new ATOM 0 HB3 GLN A 73 121.143 0.095 1.906 1.00 0.26 H new ATOM 0 HG2 GLN A 73 118.235 0.077 2.866 1.00 0.29 H new ATOM 0 HG3 GLN A 73 118.735 0.279 1.199 1.00 0.29 H new ATOM 0 HE21 GLN A 73 117.841 -2.048 3.534 1.00 1.88 H new ATOM 0 HE22 GLN A 73 118.461 -3.479 2.706 1.00 1.88 H new ATOM 1155 N SER A 74 122.283 1.436 4.862 1.00 0.26 N ATOM 1156 CA SER A 74 123.639 1.923 5.226 1.00 0.27 C ATOM 1157 C SER A 74 124.175 1.128 6.415 1.00 0.26 C ATOM 1158 O SER A 74 125.349 0.828 6.492 1.00 0.26 O ATOM 1159 CB SER A 74 123.558 3.403 5.602 1.00 0.30 C ATOM 1160 OG SER A 74 123.141 3.520 6.957 1.00 1.36 O ATOM 0 H SER A 74 121.526 2.100 5.024 1.00 0.26 H new ATOM 0 HA SER A 74 124.309 1.793 4.376 1.00 0.27 H new ATOM 0 HB2 SER A 74 124.529 3.879 5.466 1.00 0.30 H new ATOM 0 HB3 SER A 74 122.856 3.919 4.947 1.00 0.30 H new ATOM 0 HG SER A 74 122.279 3.069 7.074 1.00 1.36 H new ATOM 1166 N ARG A 75 123.329 0.790 7.353 1.00 0.27 N ATOM 1167 CA ARG A 75 123.793 0.026 8.542 1.00 0.28 C ATOM 1168 C ARG A 75 124.383 -1.312 8.094 1.00 0.26 C ATOM 1169 O ARG A 75 125.351 -1.785 8.658 1.00 0.27 O ATOM 1170 CB ARG A 75 122.606 -0.226 9.485 1.00 0.30 C ATOM 1171 CG ARG A 75 122.150 1.087 10.148 1.00 0.33 C ATOM 1172 CD ARG A 75 123.022 1.419 11.367 1.00 0.61 C ATOM 1173 NE ARG A 75 122.671 0.510 12.492 1.00 1.34 N ATOM 1174 CZ ARG A 75 123.469 0.409 13.520 1.00 1.81 C ATOM 1175 NH1 ARG A 75 124.582 1.089 13.550 1.00 1.88 N ATOM 1176 NH2 ARG A 75 123.158 -0.376 14.516 1.00 2.80 N ATOM 0 H ARG A 75 122.334 1.012 7.344 1.00 0.27 H new ATOM 0 HA ARG A 75 124.557 0.601 9.066 1.00 0.28 H new ATOM 0 HB2 ARG A 75 121.778 -0.664 8.927 1.00 0.30 H new ATOM 0 HB3 ARG A 75 122.891 -0.947 10.252 1.00 0.30 H new ATOM 0 HG2 ARG A 75 122.204 1.901 9.425 1.00 0.33 H new ATOM 0 HG3 ARG A 75 121.108 1.001 10.455 1.00 0.33 H new ATOM 0 HD2 ARG A 75 124.076 1.310 11.113 1.00 0.61 H new ATOM 0 HD3 ARG A 75 122.871 2.457 11.664 1.00 0.61 H new ATOM 0 HE ARG A 75 121.808 -0.033 12.460 1.00 1.34 H new ATOM 0 HH11 ARG A 75 124.828 1.699 12.770 1.00 1.88 H new ATOM 0 HH12 ARG A 75 125.206 1.011 14.353 1.00 1.88 H new ATOM 0 HH21 ARG A 75 122.290 -0.912 14.492 1.00 2.80 H new ATOM 0 HH22 ARG A 75 123.783 -0.454 15.318 1.00 2.80 H new ATOM 1190 N ASP A 76 123.807 -1.949 7.112 1.00 0.25 N ATOM 1191 CA ASP A 76 124.324 -3.270 6.663 1.00 0.24 C ATOM 1192 C ASP A 76 125.700 -3.123 6.019 1.00 0.23 C ATOM 1193 O ASP A 76 126.576 -3.940 6.225 1.00 0.23 O ATOM 1194 CB ASP A 76 123.352 -3.873 5.647 1.00 0.24 C ATOM 1195 CG ASP A 76 122.059 -4.285 6.353 1.00 0.25 C ATOM 1196 OD1 ASP A 76 122.093 -4.450 7.560 1.00 0.40 O ATOM 1197 OD2 ASP A 76 121.056 -4.431 5.671 1.00 0.39 O ATOM 0 H ASP A 76 122.995 -1.607 6.598 1.00 0.25 H new ATOM 0 HA ASP A 76 124.414 -3.923 7.531 1.00 0.24 H new ATOM 0 HB2 ASP A 76 123.134 -3.148 4.863 1.00 0.24 H new ATOM 0 HB3 ASP A 76 123.806 -4.738 5.164 1.00 0.24 H new ATOM 1202 N CYS A 77 125.912 -2.098 5.242 1.00 0.22 N ATOM 1203 CA CYS A 77 127.243 -1.926 4.600 1.00 0.22 C ATOM 1204 C CYS A 77 128.296 -1.580 5.656 1.00 0.22 C ATOM 1205 O CYS A 77 129.414 -2.045 5.592 1.00 0.21 O ATOM 1206 CB CYS A 77 127.168 -0.797 3.570 1.00 0.23 C ATOM 1207 SG CYS A 77 126.165 -1.333 2.160 1.00 0.24 S ATOM 0 H CYS A 77 125.225 -1.376 5.025 1.00 0.22 H new ATOM 0 HA CYS A 77 127.524 -2.857 4.108 1.00 0.22 H new ATOM 0 HB2 CYS A 77 126.732 0.094 4.022 1.00 0.23 H new ATOM 0 HB3 CYS A 77 128.170 -0.528 3.236 1.00 0.23 H new ATOM 0 HG CYS A 77 125.784 -2.562 2.341 1.00 0.24 H new ATOM 1213 N PHE A 78 127.972 -0.757 6.616 1.00 0.23 N ATOM 1214 CA PHE A 78 129.000 -0.393 7.631 1.00 0.25 C ATOM 1215 C PHE A 78 129.496 -1.645 8.354 1.00 0.24 C ATOM 1216 O PHE A 78 130.668 -1.967 8.326 1.00 0.23 O ATOM 1217 CB PHE A 78 128.389 0.578 8.643 1.00 0.29 C ATOM 1218 CG PHE A 78 129.398 0.877 9.724 1.00 0.32 C ATOM 1219 CD1 PHE A 78 130.281 1.953 9.579 1.00 0.36 C ATOM 1220 CD2 PHE A 78 129.446 0.080 10.874 1.00 0.38 C ATOM 1221 CE1 PHE A 78 131.216 2.230 10.584 1.00 0.41 C ATOM 1222 CE2 PHE A 78 130.380 0.358 11.878 1.00 0.43 C ATOM 1223 CZ PHE A 78 131.265 1.433 11.733 1.00 0.43 C ATOM 0 H PHE A 78 127.055 -0.327 6.741 1.00 0.23 H new ATOM 0 HA PHE A 78 129.845 0.080 7.131 1.00 0.25 H new ATOM 0 HB2 PHE A 78 128.090 1.500 8.144 1.00 0.29 H new ATOM 0 HB3 PHE A 78 127.489 0.146 9.080 1.00 0.29 H new ATOM 0 HD1 PHE A 78 130.241 2.569 8.693 1.00 0.36 H new ATOM 0 HD2 PHE A 78 128.763 -0.749 10.986 1.00 0.38 H new ATOM 0 HE1 PHE A 78 131.899 3.059 10.472 1.00 0.41 H new ATOM 0 HE2 PHE A 78 130.418 -0.257 12.765 1.00 0.43 H new ATOM 0 HZ PHE A 78 131.986 1.647 12.508 1.00 0.43 H new ATOM 1233 N GLY A 79 128.619 -2.346 9.015 1.00 0.25 N ATOM 1234 CA GLY A 79 129.042 -3.568 9.756 1.00 0.26 C ATOM 1235 C GLY A 79 129.618 -4.607 8.791 1.00 0.24 C ATOM 1236 O GLY A 79 130.506 -5.360 9.133 1.00 0.24 O ATOM 0 H GLY A 79 127.625 -2.126 9.075 1.00 0.25 H new ATOM 0 HA2 GLY A 79 129.789 -3.306 10.506 1.00 0.26 H new ATOM 0 HA3 GLY A 79 128.190 -3.991 10.289 1.00 0.26 H new ATOM 1240 N CYS A 80 129.124 -4.655 7.589 1.00 0.22 N ATOM 1241 CA CYS A 80 129.655 -5.652 6.617 1.00 0.22 C ATOM 1242 C CYS A 80 131.071 -5.259 6.190 1.00 0.22 C ATOM 1243 O CYS A 80 131.977 -6.070 6.198 1.00 0.23 O ATOM 1244 CB CYS A 80 128.748 -5.704 5.389 1.00 0.22 C ATOM 1245 SG CYS A 80 129.334 -6.995 4.263 1.00 0.25 S ATOM 0 H CYS A 80 128.380 -4.052 7.237 1.00 0.22 H new ATOM 0 HA CYS A 80 129.682 -6.633 7.091 1.00 0.22 H new ATOM 0 HB2 CYS A 80 127.721 -5.908 5.690 1.00 0.22 H new ATOM 0 HB3 CYS A 80 128.746 -4.738 4.883 1.00 0.22 H new ATOM 0 HG CYS A 80 129.236 -6.578 3.036 1.00 0.25 H new ATOM 1251 N LEU A 81 131.279 -4.021 5.834 1.00 0.21 N ATOM 1252 CA LEU A 81 132.652 -3.603 5.433 1.00 0.21 C ATOM 1253 C LEU A 81 133.555 -3.593 6.673 1.00 0.22 C ATOM 1254 O LEU A 81 134.704 -3.987 6.619 1.00 0.22 O ATOM 1255 CB LEU A 81 132.594 -2.192 4.837 1.00 0.22 C ATOM 1256 CG LEU A 81 131.700 -2.185 3.588 1.00 0.24 C ATOM 1257 CD1 LEU A 81 131.399 -0.737 3.194 1.00 0.30 C ATOM 1258 CD2 LEU A 81 132.405 -2.896 2.421 1.00 0.28 C ATOM 0 H LEU A 81 130.569 -3.290 5.803 1.00 0.21 H new ATOM 0 HA LEU A 81 133.050 -4.298 4.693 1.00 0.21 H new ATOM 0 HB2 LEU A 81 132.205 -1.492 5.576 1.00 0.22 H new ATOM 0 HB3 LEU A 81 133.598 -1.857 4.577 1.00 0.22 H new ATOM 0 HG LEU A 81 130.772 -2.712 3.811 1.00 0.24 H new ATOM 0 HD11 LEU A 81 130.765 -0.725 2.308 1.00 0.30 H new ATOM 0 HD12 LEU A 81 130.885 -0.236 4.014 1.00 0.30 H new ATOM 0 HD13 LEU A 81 132.332 -0.217 2.979 1.00 0.30 H new ATOM 0 HD21 LEU A 81 131.759 -2.883 1.543 1.00 0.28 H new ATOM 0 HD22 LEU A 81 133.338 -2.382 2.192 1.00 0.28 H new ATOM 0 HD23 LEU A 81 132.618 -3.928 2.699 1.00 0.28 H new ATOM 1270 N ARG A 82 133.044 -3.140 7.787 1.00 0.22 N ATOM 1271 CA ARG A 82 133.876 -3.097 9.026 1.00 0.24 C ATOM 1272 C ARG A 82 134.273 -4.511 9.448 1.00 0.25 C ATOM 1273 O ARG A 82 135.382 -4.750 9.882 1.00 0.26 O ATOM 1274 CB ARG A 82 133.097 -2.432 10.160 1.00 0.28 C ATOM 1275 CG ARG A 82 134.048 -2.185 11.333 1.00 0.33 C ATOM 1276 CD ARG A 82 133.286 -1.519 12.479 1.00 0.84 C ATOM 1277 NE ARG A 82 134.254 -1.055 13.530 1.00 1.41 N ATOM 1278 CZ ARG A 82 135.081 -1.879 14.118 1.00 1.95 C ATOM 1279 NH1 ARG A 82 134.969 -3.167 13.947 1.00 2.25 N ATOM 1280 NH2 ARG A 82 135.995 -1.411 14.925 1.00 2.73 N ATOM 0 H ARG A 82 132.089 -2.799 7.893 1.00 0.22 H new ATOM 0 HA ARG A 82 134.776 -2.519 8.816 1.00 0.24 H new ATOM 0 HB2 ARG A 82 132.665 -1.491 9.820 1.00 0.28 H new ATOM 0 HB3 ARG A 82 132.269 -3.068 10.473 1.00 0.28 H new ATOM 0 HG2 ARG A 82 134.480 -3.128 11.669 1.00 0.33 H new ATOM 0 HG3 ARG A 82 134.876 -1.551 11.016 1.00 0.33 H new ATOM 0 HD2 ARG A 82 132.710 -0.673 12.103 1.00 0.84 H new ATOM 0 HD3 ARG A 82 132.574 -2.222 12.912 1.00 0.84 H new ATOM 0 HE ARG A 82 134.266 -0.069 13.792 1.00 1.41 H new ATOM 0 HH11 ARG A 82 134.231 -3.540 13.350 1.00 2.25 H new ATOM 0 HH12 ARG A 82 135.619 -3.801 14.410 1.00 2.25 H new ATOM 0 HH21 ARG A 82 136.061 -0.407 15.094 1.00 2.73 H new ATOM 0 HH22 ARG A 82 136.643 -2.049 15.387 1.00 2.73 H new ATOM 1294 N GLU A 83 133.376 -5.451 9.337 1.00 0.25 N ATOM 1295 CA GLU A 83 133.704 -6.845 9.745 1.00 0.28 C ATOM 1296 C GLU A 83 134.714 -7.456 8.777 1.00 0.27 C ATOM 1297 O GLU A 83 135.615 -8.161 9.187 1.00 0.29 O ATOM 1298 CB GLU A 83 132.429 -7.693 9.769 1.00 0.30 C ATOM 1299 CG GLU A 83 131.587 -7.323 10.994 1.00 0.33 C ATOM 1300 CD GLU A 83 132.278 -7.833 12.261 1.00 1.19 C ATOM 1301 OE1 GLU A 83 133.118 -8.710 12.142 1.00 1.91 O ATOM 1302 OE2 GLU A 83 131.954 -7.339 13.329 1.00 1.56 O ATOM 0 H GLU A 83 132.430 -5.314 8.981 1.00 0.25 H new ATOM 0 HA GLU A 83 134.142 -6.825 10.743 1.00 0.28 H new ATOM 0 HB2 GLU A 83 131.854 -7.529 8.857 1.00 0.30 H new ATOM 0 HB3 GLU A 83 132.685 -8.752 9.798 1.00 0.30 H new ATOM 0 HG2 GLU A 83 131.458 -6.242 11.047 1.00 0.33 H new ATOM 0 HG3 GLU A 83 130.591 -7.759 10.909 1.00 0.33 H new ATOM 1309 N TRP A 84 134.612 -7.187 7.500 1.00 0.25 N ATOM 1310 CA TRP A 84 135.613 -7.756 6.559 1.00 0.25 C ATOM 1311 C TRP A 84 136.988 -7.244 6.975 1.00 0.27 C ATOM 1312 O TRP A 84 137.952 -7.981 7.043 1.00 0.28 O ATOM 1313 CB TRP A 84 135.320 -7.302 5.128 1.00 0.25 C ATOM 1314 CG TRP A 84 136.291 -7.970 4.209 1.00 0.27 C ATOM 1315 CD1 TRP A 84 136.074 -9.150 3.586 1.00 0.30 C ATOM 1316 CD2 TRP A 84 137.627 -7.539 3.814 1.00 0.30 C ATOM 1317 NE1 TRP A 84 137.188 -9.470 2.833 1.00 0.33 N ATOM 1318 CE2 TRP A 84 138.171 -8.511 2.941 1.00 0.32 C ATOM 1319 CE3 TRP A 84 138.411 -6.413 4.124 1.00 0.31 C ATOM 1320 CZ2 TRP A 84 139.446 -8.373 2.394 1.00 0.36 C ATOM 1321 CZ3 TRP A 84 139.699 -6.270 3.575 1.00 0.35 C ATOM 1322 CH2 TRP A 84 140.214 -7.250 2.712 1.00 0.37 C ATOM 0 H TRP A 84 133.888 -6.606 7.076 1.00 0.25 H new ATOM 0 HA TRP A 84 135.573 -8.845 6.591 1.00 0.25 H new ATOM 0 HB2 TRP A 84 134.298 -7.560 4.851 1.00 0.25 H new ATOM 0 HB3 TRP A 84 135.408 -6.218 5.049 1.00 0.25 H new ATOM 0 HD1 TRP A 84 135.176 -9.746 3.664 1.00 0.30 H new ATOM 0 HE1 TRP A 84 137.272 -10.314 2.266 1.00 0.33 H new ATOM 0 HE3 TRP A 84 138.022 -5.654 4.787 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 139.837 -9.129 1.729 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 140.294 -5.402 3.819 1.00 0.35 H new ATOM 0 HH2 TRP A 84 141.203 -7.136 2.294 1.00 0.37 H new ATOM 1333 N CYS A 85 137.077 -5.971 7.251 1.00 0.27 N ATOM 1334 CA CYS A 85 138.380 -5.381 7.663 1.00 0.30 C ATOM 1335 C CYS A 85 138.866 -6.068 8.938 1.00 0.33 C ATOM 1336 O CYS A 85 140.034 -6.353 9.103 1.00 0.36 O ATOM 1337 CB CYS A 85 138.181 -3.886 7.928 1.00 0.33 C ATOM 1338 SG CYS A 85 138.059 -3.003 6.353 1.00 0.33 S ATOM 0 H CYS A 85 136.299 -5.313 7.208 1.00 0.27 H new ATOM 0 HA CYS A 85 139.120 -5.521 6.876 1.00 0.30 H new ATOM 0 HB2 CYS A 85 137.277 -3.728 8.517 1.00 0.33 H new ATOM 0 HB3 CYS A 85 139.014 -3.496 8.512 1.00 0.33 H new ATOM 0 HG CYS A 85 137.679 -1.779 6.570 1.00 0.33 H new ATOM 1344 N ASP A 86 137.970 -6.337 9.841 1.00 0.34 N ATOM 1345 CA ASP A 86 138.359 -7.007 11.109 1.00 0.39 C ATOM 1346 C ASP A 86 138.985 -8.373 10.812 1.00 0.41 C ATOM 1347 O ASP A 86 139.872 -8.823 11.510 1.00 0.43 O ATOM 1348 CB ASP A 86 137.117 -7.191 11.985 1.00 0.41 C ATOM 1349 CG ASP A 86 136.652 -5.827 12.496 1.00 0.42 C ATOM 1350 OD1 ASP A 86 137.444 -4.900 12.457 1.00 0.55 O ATOM 1351 OD2 ASP A 86 135.513 -5.733 12.923 1.00 0.51 O ATOM 0 H ASP A 86 136.977 -6.120 9.755 1.00 0.34 H new ATOM 0 HA ASP A 86 139.090 -6.390 11.632 1.00 0.39 H new ATOM 0 HB2 ASP A 86 136.322 -7.668 11.412 1.00 0.41 H new ATOM 0 HB3 ASP A 86 137.344 -7.848 12.824 1.00 0.41 H new ATOM 1356 N ALA A 87 138.515 -9.048 9.794 1.00 0.41 N ATOM 1357 CA ALA A 87 139.064 -10.401 9.467 1.00 0.43 C ATOM 1358 C ALA A 87 140.214 -10.303 8.456 1.00 0.43 C ATOM 1359 O ALA A 87 141.155 -11.070 8.508 1.00 0.48 O ATOM 1360 CB ALA A 87 137.951 -11.259 8.869 1.00 0.41 C ATOM 0 H ALA A 87 137.774 -8.721 9.174 1.00 0.41 H new ATOM 0 HA ALA A 87 139.446 -10.849 10.384 1.00 0.43 H new ATOM 0 HB1 ALA A 87 138.343 -12.247 8.628 1.00 0.41 H new ATOM 0 HB2 ALA A 87 137.140 -11.357 9.590 1.00 0.41 H new ATOM 0 HB3 ALA A 87 137.575 -10.786 7.962 1.00 0.41 H new ATOM 1366 N PHE A 88 140.131 -9.394 7.516 1.00 0.40 N ATOM 1367 CA PHE A 88 141.203 -9.275 6.469 1.00 0.44 C ATOM 1368 C PHE A 88 142.055 -8.023 6.685 1.00 0.54 C ATOM 1369 O PHE A 88 142.943 -7.734 5.908 1.00 1.24 O ATOM 1370 CB PHE A 88 140.549 -9.174 5.090 1.00 0.41 C ATOM 1371 CG PHE A 88 139.860 -10.471 4.748 1.00 0.39 C ATOM 1372 CD1 PHE A 88 140.565 -11.484 4.088 1.00 0.44 C ATOM 1373 CD2 PHE A 88 138.514 -10.658 5.083 1.00 0.35 C ATOM 1374 CE1 PHE A 88 139.923 -12.684 3.762 1.00 0.47 C ATOM 1375 CE2 PHE A 88 137.872 -11.858 4.757 1.00 0.40 C ATOM 1376 CZ PHE A 88 138.577 -12.870 4.096 1.00 0.45 C ATOM 0 H PHE A 88 139.366 -8.725 7.425 1.00 0.40 H new ATOM 0 HA PHE A 88 141.841 -10.156 6.539 1.00 0.44 H new ATOM 0 HB2 PHE A 88 139.828 -8.356 5.080 1.00 0.41 H new ATOM 0 HB3 PHE A 88 141.303 -8.944 4.337 1.00 0.41 H new ATOM 0 HD1 PHE A 88 141.604 -11.340 3.830 1.00 0.44 H new ATOM 0 HD2 PHE A 88 137.971 -9.876 5.593 1.00 0.35 H new ATOM 0 HE1 PHE A 88 140.466 -13.466 3.253 1.00 0.47 H new ATOM 0 HE2 PHE A 88 136.833 -12.003 5.015 1.00 0.40 H new ATOM 0 HZ PHE A 88 138.082 -13.796 3.843 1.00 0.45 H new ATOM 1386 N LEU A 89 141.789 -7.261 7.711 1.00 0.39 N ATOM 1387 CA LEU A 89 142.582 -6.014 7.941 1.00 0.36 C ATOM 1388 C LEU A 89 142.755 -5.804 9.451 1.00 0.87 C ATOM 1389 O LEU A 89 142.348 -6.677 10.199 1.00 1.43 O ATOM 1390 CB LEU A 89 141.806 -4.836 7.334 1.00 0.74 C ATOM 1391 CG LEU A 89 142.736 -3.635 7.061 1.00 0.47 C ATOM 1392 CD1 LEU A 89 143.475 -3.825 5.724 1.00 1.00 C ATOM 1393 CD2 LEU A 89 141.901 -2.341 7.007 1.00 1.28 C ATOM 1394 OXT LEU A 89 143.291 -4.777 9.833 1.00 1.66 O ATOM 0 H LEU A 89 141.059 -7.445 8.400 1.00 0.39 H new ATOM 0 HA LEU A 89 143.566 -6.089 7.477 1.00 0.36 H new ATOM 0 HB2 LEU A 89 141.332 -5.150 6.404 1.00 0.74 H new ATOM 0 HB3 LEU A 89 141.008 -4.534 8.013 1.00 0.74 H new ATOM 0 HG LEU A 89 143.470 -3.567 7.864 1.00 0.47 H new ATOM 0 HD11 LEU A 89 144.127 -2.970 5.544 1.00 1.00 H new ATOM 0 HD12 LEU A 89 144.073 -4.736 5.765 1.00 1.00 H new ATOM 0 HD13 LEU A 89 142.749 -3.904 4.915 1.00 1.00 H new ATOM 0 HD21 LEU A 89 142.557 -1.492 6.814 1.00 1.28 H new ATOM 0 HD22 LEU A 89 141.163 -2.417 6.209 1.00 1.28 H new ATOM 0 HD23 LEU A 89 141.392 -2.197 7.960 1.00 1.28 H new TER 1406 LEU A 89 ATOM 1407 N MET B 1 161.036 -5.762 -4.409 1.00 3.74 N ATOM 1408 CA MET B 1 161.791 -6.948 -3.913 1.00 3.26 C ATOM 1409 C MET B 1 163.127 -6.481 -3.335 1.00 2.28 C ATOM 1410 O MET B 1 163.578 -6.963 -2.314 1.00 2.68 O ATOM 1411 CB MET B 1 162.030 -7.914 -5.075 1.00 3.75 C ATOM 1412 CG MET B 1 160.692 -8.516 -5.510 1.00 4.33 C ATOM 1413 SD MET B 1 160.955 -9.660 -6.890 1.00 5.04 S ATOM 1414 CE MET B 1 161.899 -10.916 -5.990 1.00 5.66 C ATOM 0 H1 MET B 1 160.029 -6.005 -4.502 1.00 3.74 H new ATOM 0 H2 MET B 1 161.142 -4.977 -3.735 1.00 3.74 H new ATOM 0 H3 MET B 1 161.410 -5.475 -5.336 1.00 3.74 H new ATOM 0 HA MET B 1 161.222 -7.459 -3.136 1.00 3.26 H new ATOM 0 HB2 MET B 1 162.496 -7.390 -5.910 1.00 3.75 H new ATOM 0 HB3 MET B 1 162.717 -8.704 -4.772 1.00 3.75 H new ATOM 0 HG2 MET B 1 160.229 -9.040 -4.674 1.00 4.33 H new ATOM 0 HG3 MET B 1 160.006 -7.723 -5.808 1.00 4.33 H new ATOM 0 HE1 MET B 1 161.790 -11.879 -6.488 1.00 5.66 H new ATOM 0 HE2 MET B 1 162.952 -10.635 -5.970 1.00 5.66 H new ATOM 0 HE3 MET B 1 161.524 -10.991 -4.969 1.00 5.66 H new ATOM 1426 N THR B 2 163.755 -5.529 -3.971 1.00 1.63 N ATOM 1427 CA THR B 2 165.052 -5.009 -3.453 1.00 1.44 C ATOM 1428 C THR B 2 164.753 -3.921 -2.422 1.00 1.17 C ATOM 1429 O THR B 2 165.633 -3.226 -1.954 1.00 1.22 O ATOM 1430 CB THR B 2 165.865 -4.412 -4.606 1.00 2.22 C ATOM 1431 OG1 THR B 2 166.889 -3.579 -4.080 1.00 2.78 O ATOM 1432 CG2 THR B 2 164.947 -3.583 -5.511 1.00 3.02 C ATOM 0 H THR B 2 163.424 -5.088 -4.829 1.00 1.63 H new ATOM 0 HA THR B 2 165.626 -5.816 -2.997 1.00 1.44 H new ATOM 0 HB THR B 2 166.312 -5.218 -5.188 1.00 2.22 H new ATOM 0 HG1 THR B 2 166.918 -3.672 -3.105 1.00 2.78 H new ATOM 0 HG21 THR B 2 165.529 -3.160 -6.330 1.00 3.02 H new ATOM 0 HG22 THR B 2 164.162 -4.222 -5.916 1.00 3.02 H new ATOM 0 HG23 THR B 2 164.496 -2.777 -4.932 1.00 3.02 H new ATOM 1440 N THR B 3 163.504 -3.770 -2.076 1.00 0.96 N ATOM 1441 CA THR B 3 163.110 -2.730 -1.085 1.00 0.76 C ATOM 1442 C THR B 3 163.532 -3.162 0.322 1.00 0.69 C ATOM 1443 O THR B 3 163.940 -4.284 0.547 1.00 0.75 O ATOM 1444 CB THR B 3 161.592 -2.542 -1.130 1.00 0.69 C ATOM 1445 OG1 THR B 3 160.957 -3.812 -1.056 1.00 0.80 O ATOM 1446 CG2 THR B 3 161.201 -1.846 -2.435 1.00 0.76 C ATOM 0 H THR B 3 162.733 -4.328 -2.441 1.00 0.96 H new ATOM 0 HA THR B 3 163.605 -1.791 -1.331 1.00 0.76 H new ATOM 0 HB THR B 3 161.275 -1.929 -0.287 1.00 0.69 H new ATOM 0 HG1 THR B 3 160.293 -3.888 -1.773 1.00 0.80 H new ATOM 0 HG21 THR B 3 160.120 -1.712 -2.466 1.00 0.76 H new ATOM 0 HG22 THR B 3 161.689 -0.873 -2.488 1.00 0.76 H new ATOM 0 HG23 THR B 3 161.516 -2.456 -3.281 1.00 0.76 H new ATOM 1454 N SER B 4 163.440 -2.268 1.268 1.00 0.63 N ATOM 1455 CA SER B 4 163.837 -2.600 2.666 1.00 0.62 C ATOM 1456 C SER B 4 162.956 -3.730 3.208 1.00 0.60 C ATOM 1457 O SER B 4 162.015 -4.167 2.577 1.00 0.58 O ATOM 1458 CB SER B 4 163.673 -1.360 3.545 1.00 0.63 C ATOM 1459 OG SER B 4 164.350 -1.566 4.778 1.00 1.50 O ATOM 0 H SER B 4 163.104 -1.315 1.131 1.00 0.63 H new ATOM 0 HA SER B 4 164.877 -2.925 2.676 1.00 0.62 H new ATOM 0 HB2 SER B 4 164.077 -0.484 3.037 1.00 0.63 H new ATOM 0 HB3 SER B 4 162.616 -1.165 3.725 1.00 0.63 H new ATOM 0 HG SER B 4 164.248 -0.772 5.344 1.00 1.50 H new ATOM 1465 N GLN B 5 163.285 -4.216 4.376 1.00 0.63 N ATOM 1466 CA GLN B 5 162.513 -5.335 4.993 1.00 0.64 C ATOM 1467 C GLN B 5 161.050 -4.938 5.203 1.00 0.60 C ATOM 1468 O GLN B 5 160.189 -5.783 5.344 1.00 0.60 O ATOM 1469 CB GLN B 5 163.132 -5.690 6.347 1.00 0.71 C ATOM 1470 CG GLN B 5 164.495 -6.353 6.137 1.00 1.34 C ATOM 1471 CD GLN B 5 164.302 -7.739 5.520 1.00 1.59 C ATOM 1472 OE1 GLN B 5 163.435 -8.484 5.931 1.00 2.09 O ATOM 1473 NE2 GLN B 5 165.080 -8.120 4.545 1.00 2.18 N ATOM 0 H GLN B 5 164.068 -3.880 4.937 1.00 0.63 H new ATOM 0 HA GLN B 5 162.551 -6.193 4.321 1.00 0.64 H new ATOM 0 HB2 GLN B 5 163.244 -4.791 6.953 1.00 0.71 H new ATOM 0 HB3 GLN B 5 162.471 -6.362 6.894 1.00 0.71 H new ATOM 0 HG2 GLN B 5 165.114 -5.737 5.485 1.00 1.34 H new ATOM 0 HG3 GLN B 5 165.020 -6.437 7.088 1.00 1.34 H new ATOM 0 HE21 GLN B 5 165.808 -7.495 4.200 1.00 2.18 H new ATOM 0 HE22 GLN B 5 164.960 -9.043 4.128 1.00 2.18 H new ATOM 1482 N LYS B 6 160.755 -3.668 5.242 1.00 0.59 N ATOM 1483 CA LYS B 6 159.345 -3.240 5.461 1.00 0.57 C ATOM 1484 C LYS B 6 158.464 -3.790 4.338 1.00 0.51 C ATOM 1485 O LYS B 6 157.336 -4.182 4.564 1.00 0.50 O ATOM 1486 CB LYS B 6 159.270 -1.710 5.462 1.00 0.58 C ATOM 1487 CG LYS B 6 160.049 -1.135 6.656 1.00 0.66 C ATOM 1488 CD LYS B 6 159.320 -1.436 7.977 1.00 0.80 C ATOM 1489 CE LYS B 6 159.832 -0.494 9.070 1.00 1.25 C ATOM 1490 NZ LYS B 6 159.273 0.871 8.853 1.00 2.01 N ATOM 0 H LYS B 6 161.428 -2.909 5.132 1.00 0.59 H new ATOM 0 HA LYS B 6 158.995 -3.623 6.420 1.00 0.57 H new ATOM 0 HB2 LYS B 6 159.679 -1.319 4.531 1.00 0.58 H new ATOM 0 HB3 LYS B 6 158.229 -1.391 5.511 1.00 0.58 H new ATOM 0 HG2 LYS B 6 161.051 -1.563 6.682 1.00 0.66 H new ATOM 0 HG3 LYS B 6 160.165 -0.058 6.536 1.00 0.66 H new ATOM 0 HD2 LYS B 6 158.245 -1.310 7.848 1.00 0.80 H new ATOM 0 HD3 LYS B 6 159.487 -2.473 8.269 1.00 0.80 H new ATOM 0 HE2 LYS B 6 159.540 -0.866 10.052 1.00 1.25 H new ATOM 0 HE3 LYS B 6 160.921 -0.459 9.054 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 160.040 1.572 8.901 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 158.821 0.916 7.918 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 158.568 1.078 9.589 1.00 2.01 H new ATOM 1504 N HIS B 7 158.951 -3.809 3.130 1.00 0.49 N ATOM 1505 CA HIS B 7 158.112 -4.321 2.012 1.00 0.45 C ATOM 1506 C HIS B 7 157.713 -5.778 2.262 1.00 0.45 C ATOM 1507 O HIS B 7 156.550 -6.126 2.198 1.00 0.43 O ATOM 1508 CB HIS B 7 158.900 -4.224 0.700 1.00 0.45 C ATOM 1509 CG HIS B 7 158.129 -4.883 -0.414 1.00 0.42 C ATOM 1510 ND1 HIS B 7 157.309 -4.170 -1.277 1.00 0.39 N ATOM 1511 CD2 HIS B 7 158.045 -6.194 -0.814 1.00 0.45 C ATOM 1512 CE1 HIS B 7 156.773 -5.048 -2.145 1.00 0.38 C ATOM 1513 NE2 HIS B 7 157.189 -6.293 -1.904 1.00 0.42 N ATOM 0 H HIS B 7 159.886 -3.495 2.869 1.00 0.49 H new ATOM 0 HA HIS B 7 157.207 -3.718 1.947 1.00 0.45 H new ATOM 0 HB2 HIS B 7 159.087 -3.178 0.455 1.00 0.45 H new ATOM 0 HB3 HIS B 7 159.872 -4.704 0.814 1.00 0.45 H new ATOM 0 HD2 HIS B 7 158.564 -7.021 -0.352 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.091 -4.779 -2.938 1.00 0.38 H new ATOM 0 HE2 HIS B 7 156.933 -7.139 -2.413 1.00 0.42 H new ATOM 1521 N ARG B 8 158.660 -6.642 2.549 1.00 0.48 N ATOM 1522 CA ARG B 8 158.324 -8.070 2.801 1.00 0.50 C ATOM 1523 C ARG B 8 157.578 -8.207 4.123 1.00 0.51 C ATOM 1524 O ARG B 8 156.705 -9.034 4.272 1.00 0.51 O ATOM 1525 CB ARG B 8 159.603 -8.906 2.857 1.00 0.55 C ATOM 1526 CG ARG B 8 160.215 -8.996 1.460 1.00 0.57 C ATOM 1527 CD ARG B 8 161.489 -9.840 1.526 1.00 1.00 C ATOM 1528 NE ARG B 8 162.117 -9.932 0.165 1.00 1.70 N ATOM 1529 CZ ARG B 8 161.477 -10.434 -0.859 1.00 2.29 C ATOM 1530 NH1 ARG B 8 160.325 -11.024 -0.698 1.00 2.43 N ATOM 1531 NH2 ARG B 8 162.020 -10.389 -2.045 1.00 3.23 N ATOM 0 H ARG B 8 159.652 -6.413 2.618 1.00 0.48 H new ATOM 0 HA ARG B 8 157.691 -8.427 1.989 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.315 -8.455 3.549 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.381 -9.905 3.233 1.00 0.55 H new ATOM 0 HG2 ARG B 8 159.503 -9.443 0.766 1.00 0.57 H new ATOM 0 HG3 ARG B 8 160.444 -7.999 1.084 1.00 0.57 H new ATOM 0 HD2 ARG B 8 162.192 -9.396 2.231 1.00 1.00 H new ATOM 0 HD3 ARG B 8 161.255 -10.838 1.895 1.00 1.00 H new ATOM 0 HE ARG B 8 163.070 -9.593 0.036 1.00 1.70 H new ATOM 0 HH11 ARG B 8 159.915 -11.097 0.233 1.00 2.43 H new ATOM 0 HH12 ARG B 8 159.834 -11.412 -1.503 1.00 2.43 H new ATOM 0 HH21 ARG B 8 162.939 -9.964 -2.169 1.00 3.23 H new ATOM 0 HH22 ARG B 8 161.526 -10.779 -2.847 1.00 3.23 H new ATOM 1545 N ASP B 9 157.921 -7.404 5.087 1.00 0.52 N ATOM 1546 CA ASP B 9 157.240 -7.495 6.405 1.00 0.54 C ATOM 1547 C ASP B 9 155.786 -7.046 6.255 1.00 0.49 C ATOM 1548 O ASP B 9 154.885 -7.612 6.840 1.00 0.48 O ATOM 1549 CB ASP B 9 157.953 -6.590 7.409 1.00 0.61 C ATOM 1550 CG ASP B 9 159.325 -7.181 7.742 1.00 0.68 C ATOM 1551 OD1 ASP B 9 159.485 -8.381 7.585 1.00 0.67 O ATOM 1552 OD2 ASP B 9 160.194 -6.424 8.144 1.00 0.76 O ATOM 0 H ASP B 9 158.644 -6.688 5.020 1.00 0.52 H new ATOM 0 HA ASP B 9 157.268 -8.525 6.761 1.00 0.54 H new ATOM 0 HB2 ASP B 9 158.067 -5.588 6.995 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.356 -6.494 8.316 1.00 0.61 H new ATOM 1557 N PHE B 10 155.559 -6.023 5.484 1.00 0.46 N ATOM 1558 CA PHE B 10 154.167 -5.522 5.308 1.00 0.43 C ATOM 1559 C PHE B 10 153.309 -6.595 4.616 1.00 0.37 C ATOM 1560 O PHE B 10 152.214 -6.896 5.049 1.00 0.36 O ATOM 1561 CB PHE B 10 154.210 -4.250 4.455 1.00 0.45 C ATOM 1562 CG PHE B 10 152.875 -3.544 4.505 1.00 0.43 C ATOM 1563 CD1 PHE B 10 152.597 -2.657 5.553 1.00 0.44 C ATOM 1564 CD2 PHE B 10 151.924 -3.761 3.502 1.00 0.43 C ATOM 1565 CE1 PHE B 10 151.368 -1.987 5.599 1.00 0.44 C ATOM 1566 CE2 PHE B 10 150.693 -3.092 3.549 1.00 0.43 C ATOM 1567 CZ PHE B 10 150.416 -2.205 4.597 1.00 0.43 C ATOM 0 H PHE B 10 156.275 -5.511 4.968 1.00 0.46 H new ATOM 0 HA PHE B 10 153.725 -5.299 6.279 1.00 0.43 H new ATOM 0 HB2 PHE B 10 154.995 -3.586 4.818 1.00 0.45 H new ATOM 0 HB3 PHE B 10 154.458 -4.503 3.424 1.00 0.45 H new ATOM 0 HD1 PHE B 10 153.332 -2.490 6.327 1.00 0.44 H new ATOM 0 HD2 PHE B 10 152.138 -4.443 2.692 1.00 0.43 H new ATOM 0 HE1 PHE B 10 151.155 -1.303 6.407 1.00 0.44 H new ATOM 0 HE2 PHE B 10 149.957 -3.261 2.776 1.00 0.43 H new ATOM 0 HZ PHE B 10 149.468 -1.689 4.632 1.00 0.43 H new ATOM 1577 N VAL B 11 153.791 -7.166 3.542 1.00 0.37 N ATOM 1578 CA VAL B 11 152.999 -8.212 2.816 1.00 0.35 C ATOM 1579 C VAL B 11 153.244 -9.606 3.418 1.00 0.36 C ATOM 1580 O VAL B 11 152.793 -10.600 2.885 1.00 0.37 O ATOM 1581 CB VAL B 11 153.420 -8.226 1.343 1.00 0.37 C ATOM 1582 CG1 VAL B 11 153.313 -6.811 0.768 1.00 0.44 C ATOM 1583 CG2 VAL B 11 154.868 -8.718 1.233 1.00 0.40 C ATOM 0 H VAL B 11 154.701 -6.954 3.133 1.00 0.37 H new ATOM 0 HA VAL B 11 151.940 -7.972 2.911 1.00 0.35 H new ATOM 0 HB VAL B 11 152.766 -8.894 0.782 1.00 0.37 H new ATOM 0 HG11 VAL B 11 153.612 -6.821 -0.280 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.283 -6.463 0.848 1.00 0.44 H new ATOM 0 HG13 VAL B 11 153.967 -6.141 1.326 1.00 0.44 H new ATOM 0 HG21 VAL B 11 155.170 -8.729 0.186 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.523 -8.050 1.793 1.00 0.40 H new ATOM 0 HG23 VAL B 11 154.942 -9.725 1.642 1.00 0.40 H new ATOM 1593 N ALA B 12 153.931 -9.691 4.530 1.00 0.41 N ATOM 1594 CA ALA B 12 154.176 -11.030 5.170 1.00 0.47 C ATOM 1595 C ALA B 12 153.189 -11.249 6.319 1.00 0.45 C ATOM 1596 O ALA B 12 152.991 -12.358 6.776 1.00 0.48 O ATOM 1597 CB ALA B 12 155.602 -11.092 5.715 1.00 0.53 C ATOM 0 H ALA B 12 154.334 -8.895 5.025 1.00 0.41 H new ATOM 0 HA ALA B 12 154.038 -11.808 4.419 1.00 0.47 H new ATOM 0 HB1 ALA B 12 155.773 -12.064 6.177 1.00 0.53 H new ATOM 0 HB2 ALA B 12 156.310 -10.949 4.899 1.00 0.53 H new ATOM 0 HB3 ALA B 12 155.742 -10.307 6.458 1.00 0.53 H new ATOM 1603 N GLU B 13 152.563 -10.204 6.789 1.00 0.42 N ATOM 1604 CA GLU B 13 151.584 -10.354 7.905 1.00 0.43 C ATOM 1605 C GLU B 13 150.596 -9.182 7.844 1.00 0.39 C ATOM 1606 O GLU B 13 150.941 -8.120 7.366 1.00 0.36 O ATOM 1607 CB GLU B 13 152.337 -10.348 9.243 1.00 0.46 C ATOM 1608 CG GLU B 13 153.289 -9.153 9.304 1.00 0.48 C ATOM 1609 CD GLU B 13 154.002 -9.149 10.658 1.00 0.62 C ATOM 1610 OE1 GLU B 13 154.340 -10.222 11.130 1.00 1.27 O ATOM 1611 OE2 GLU B 13 154.197 -8.073 11.202 1.00 1.04 O ATOM 0 H GLU B 13 152.687 -9.251 6.448 1.00 0.42 H new ATOM 0 HA GLU B 13 151.040 -11.294 7.814 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.627 -10.300 10.069 1.00 0.46 H new ATOM 0 HB3 GLU B 13 152.897 -11.276 9.358 1.00 0.46 H new ATOM 0 HG2 GLU B 13 154.018 -9.211 8.496 1.00 0.48 H new ATOM 0 HG3 GLU B 13 152.735 -8.224 9.168 1.00 0.48 H new ATOM 1618 N PRO B 14 149.382 -9.356 8.321 1.00 0.42 N ATOM 1619 CA PRO B 14 148.362 -8.270 8.309 1.00 0.40 C ATOM 1620 C PRO B 14 148.996 -6.891 8.546 1.00 0.36 C ATOM 1621 O PRO B 14 150.046 -6.783 9.145 1.00 0.36 O ATOM 1622 CB PRO B 14 147.435 -8.658 9.464 1.00 0.45 C ATOM 1623 CG PRO B 14 147.489 -10.160 9.525 1.00 0.49 C ATOM 1624 CD PRO B 14 148.841 -10.591 8.919 1.00 0.48 C ATOM 0 HA PRO B 14 147.848 -8.182 7.352 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.767 -8.214 10.402 1.00 0.45 H new ATOM 0 HB3 PRO B 14 146.418 -8.307 9.288 1.00 0.45 H new ATOM 0 HG2 PRO B 14 147.400 -10.507 10.554 1.00 0.49 H new ATOM 0 HG3 PRO B 14 146.660 -10.598 8.969 1.00 0.49 H new ATOM 0 HD2 PRO B 14 149.510 -10.990 9.682 1.00 0.48 H new ATOM 0 HD3 PRO B 14 148.710 -11.372 8.170 1.00 0.48 H new ATOM 1632 N MET B 15 148.378 -5.840 8.075 1.00 0.35 N ATOM 1633 CA MET B 15 148.967 -4.480 8.274 1.00 0.34 C ATOM 1634 C MET B 15 148.433 -3.866 9.571 1.00 0.35 C ATOM 1635 O MET B 15 149.054 -3.007 10.165 1.00 0.37 O ATOM 1636 CB MET B 15 148.606 -3.583 7.086 1.00 0.36 C ATOM 1637 CG MET B 15 147.114 -3.706 6.775 1.00 0.40 C ATOM 1638 SD MET B 15 146.599 -2.311 5.739 1.00 0.56 S ATOM 1639 CE MET B 15 147.024 -3.030 4.133 1.00 0.42 C ATOM 0 H MET B 15 147.496 -5.862 7.564 1.00 0.35 H new ATOM 0 HA MET B 15 150.051 -4.566 8.342 1.00 0.34 H new ATOM 0 HB2 MET B 15 148.855 -2.546 7.313 1.00 0.36 H new ATOM 0 HB3 MET B 15 149.193 -3.868 6.213 1.00 0.36 H new ATOM 0 HG2 MET B 15 146.914 -4.647 6.263 1.00 0.40 H new ATOM 0 HG3 MET B 15 146.538 -3.718 7.700 1.00 0.40 H new ATOM 0 HE1 MET B 15 147.315 -2.236 3.445 1.00 0.42 H new ATOM 0 HE2 MET B 15 147.853 -3.727 4.254 1.00 0.42 H new ATOM 0 HE3 MET B 15 146.160 -3.560 3.732 1.00 0.42 H new ATOM 1649 N GLY B 16 147.288 -4.307 10.019 1.00 0.36 N ATOM 1650 CA GLY B 16 146.714 -3.760 11.283 1.00 0.39 C ATOM 1651 C GLY B 16 146.685 -2.230 11.235 1.00 0.38 C ATOM 1652 O GLY B 16 146.288 -1.636 10.253 1.00 0.37 O ATOM 0 H GLY B 16 146.724 -5.024 9.563 1.00 0.36 H new ATOM 0 HA2 GLY B 16 145.705 -4.145 11.429 1.00 0.39 H new ATOM 0 HA3 GLY B 16 147.308 -4.093 12.134 1.00 0.39 H new ATOM 1656 N GLU B 17 147.085 -1.594 12.308 1.00 0.40 N ATOM 1657 CA GLU B 17 147.071 -0.097 12.376 1.00 0.41 C ATOM 1658 C GLU B 17 148.500 0.442 12.367 1.00 0.38 C ATOM 1659 O GLU B 17 148.815 1.388 13.062 1.00 0.39 O ATOM 1660 CB GLU B 17 146.376 0.337 13.669 1.00 0.46 C ATOM 1661 CG GLU B 17 144.879 0.032 13.574 1.00 0.50 C ATOM 1662 CD GLU B 17 144.188 0.459 14.871 1.00 0.55 C ATOM 1663 OE1 GLU B 17 144.890 0.802 15.808 1.00 0.73 O ATOM 1664 OE2 GLU B 17 142.969 0.428 14.906 1.00 0.84 O ATOM 0 H GLU B 17 147.426 -2.054 13.152 1.00 0.40 H new ATOM 0 HA GLU B 17 146.536 0.298 11.512 1.00 0.41 H new ATOM 0 HB2 GLU B 17 146.811 -0.186 14.521 1.00 0.46 H new ATOM 0 HB3 GLU B 17 146.530 1.403 13.837 1.00 0.46 H new ATOM 0 HG2 GLU B 17 144.443 0.560 12.726 1.00 0.50 H new ATOM 0 HG3 GLU B 17 144.724 -1.033 13.400 1.00 0.50 H new ATOM 1671 N LYS B 18 149.374 -0.147 11.597 1.00 0.36 N ATOM 1672 CA LYS B 18 150.780 0.338 11.561 1.00 0.35 C ATOM 1673 C LYS B 18 150.788 1.803 11.099 1.00 0.31 C ATOM 1674 O LYS B 18 149.919 2.224 10.361 1.00 0.30 O ATOM 1675 CB LYS B 18 151.581 -0.514 10.571 1.00 0.35 C ATOM 1676 CG LYS B 18 151.878 -1.879 11.191 1.00 0.45 C ATOM 1677 CD LYS B 18 152.595 -2.759 10.165 1.00 1.16 C ATOM 1678 CE LYS B 18 152.679 -4.192 10.689 1.00 1.44 C ATOM 1679 NZ LYS B 18 153.308 -5.064 9.656 1.00 2.02 N ATOM 0 H LYS B 18 149.174 -0.943 10.992 1.00 0.36 H new ATOM 0 HA LYS B 18 151.228 0.261 12.552 1.00 0.35 H new ATOM 0 HB2 LYS B 18 151.019 -0.638 9.645 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.513 -0.010 10.313 1.00 0.35 H new ATOM 0 HG2 LYS B 18 152.497 -1.760 12.080 1.00 0.45 H new ATOM 0 HG3 LYS B 18 150.951 -2.355 11.510 1.00 0.45 H new ATOM 0 HD2 LYS B 18 152.059 -2.739 9.216 1.00 1.16 H new ATOM 0 HD3 LYS B 18 153.596 -2.371 9.974 1.00 1.16 H new ATOM 0 HE2 LYS B 18 153.263 -4.220 11.609 1.00 1.44 H new ATOM 0 HE3 LYS B 18 151.682 -4.560 10.933 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 153.365 -6.039 10.013 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 152.733 -5.046 8.789 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 154.265 -4.716 9.444 1.00 2.02 H new ATOM 1693 N PRO B 19 151.745 2.586 11.542 1.00 0.31 N ATOM 1694 CA PRO B 19 151.832 4.032 11.173 1.00 0.29 C ATOM 1695 C PRO B 19 152.017 4.243 9.664 1.00 0.25 C ATOM 1696 O PRO B 19 152.609 3.436 8.975 1.00 0.23 O ATOM 1697 CB PRO B 19 153.049 4.550 11.967 1.00 0.32 C ATOM 1698 CG PRO B 19 153.853 3.331 12.295 1.00 0.32 C ATOM 1699 CD PRO B 19 152.849 2.187 12.434 1.00 0.34 C ATOM 0 HA PRO B 19 150.912 4.566 11.412 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.631 5.258 11.377 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.736 5.070 12.872 1.00 0.32 H new ATOM 0 HG2 PRO B 19 154.579 3.120 11.510 1.00 0.32 H new ATOM 0 HG3 PRO B 19 154.415 3.471 13.219 1.00 0.32 H new ATOM 0 HD2 PRO B 19 153.283 1.234 12.133 1.00 0.34 H new ATOM 0 HD3 PRO B 19 152.511 2.073 13.464 1.00 0.34 H new ATOM 1707 N VAL B 20 151.502 5.329 9.156 1.00 0.24 N ATOM 1708 CA VAL B 20 151.622 5.617 7.700 1.00 0.22 C ATOM 1709 C VAL B 20 153.087 5.535 7.258 1.00 0.21 C ATOM 1710 O VAL B 20 153.388 5.218 6.125 1.00 0.22 O ATOM 1711 CB VAL B 20 151.075 7.021 7.419 1.00 0.26 C ATOM 1712 CG1 VAL B 20 151.880 8.061 8.207 1.00 0.32 C ATOM 1713 CG2 VAL B 20 151.181 7.322 5.919 1.00 0.28 C ATOM 0 H VAL B 20 150.999 6.035 9.693 1.00 0.24 H new ATOM 0 HA VAL B 20 151.049 4.878 7.141 1.00 0.22 H new ATOM 0 HB VAL B 20 150.031 7.066 7.727 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.486 9.057 8.003 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.800 7.851 9.274 1.00 0.32 H new ATOM 0 HG13 VAL B 20 152.926 8.016 7.905 1.00 0.32 H new ATOM 0 HG21 VAL B 20 150.792 8.321 5.720 1.00 0.28 H new ATOM 0 HG22 VAL B 20 152.225 7.271 5.611 1.00 0.28 H new ATOM 0 HG23 VAL B 20 150.601 6.588 5.359 1.00 0.28 H new ATOM 1723 N GLY B 21 153.999 5.840 8.149 1.00 0.22 N ATOM 1724 CA GLY B 21 155.449 5.809 7.798 1.00 0.21 C ATOM 1725 C GLY B 21 155.954 4.367 7.707 1.00 0.19 C ATOM 1726 O GLY B 21 157.095 4.130 7.365 1.00 0.19 O ATOM 0 H GLY B 21 153.797 6.111 9.111 1.00 0.22 H new ATOM 0 HA2 GLY B 21 155.609 6.316 6.846 1.00 0.21 H new ATOM 0 HA3 GLY B 21 156.022 6.353 8.549 1.00 0.21 H new ATOM 1730 N SER B 22 155.128 3.395 7.996 1.00 0.20 N ATOM 1731 CA SER B 22 155.592 1.978 7.907 1.00 0.20 C ATOM 1732 C SER B 22 155.479 1.498 6.457 1.00 0.19 C ATOM 1733 O SER B 22 156.114 0.543 6.057 1.00 0.20 O ATOM 1734 CB SER B 22 154.721 1.096 8.802 1.00 0.23 C ATOM 1735 OG SER B 22 155.295 -0.202 8.884 1.00 1.24 O ATOM 0 H SER B 22 154.159 3.519 8.288 1.00 0.20 H new ATOM 0 HA SER B 22 156.629 1.915 8.235 1.00 0.20 H new ATOM 0 HB2 SER B 22 154.641 1.534 9.797 1.00 0.23 H new ATOM 0 HB3 SER B 22 153.710 1.034 8.399 1.00 0.23 H new ATOM 0 HG SER B 22 154.949 -0.663 9.677 1.00 1.24 H new ATOM 1741 N LEU B 23 154.668 2.152 5.670 1.00 0.18 N ATOM 1742 CA LEU B 23 154.502 1.734 4.248 1.00 0.18 C ATOM 1743 C LEU B 23 155.835 1.877 3.511 1.00 0.18 C ATOM 1744 O LEU B 23 156.532 2.863 3.643 1.00 0.18 O ATOM 1745 CB LEU B 23 153.465 2.638 3.576 1.00 0.19 C ATOM 1746 CG LEU B 23 152.067 2.363 4.147 1.00 0.21 C ATOM 1747 CD1 LEU B 23 151.112 3.459 3.671 1.00 0.23 C ATOM 1748 CD2 LEU B 23 151.548 0.991 3.671 1.00 0.24 C ATOM 0 H LEU B 23 154.112 2.960 5.951 1.00 0.18 H new ATOM 0 HA LEU B 23 154.173 0.695 4.213 1.00 0.18 H new ATOM 0 HB2 LEU B 23 153.729 3.684 3.732 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.466 2.466 2.500 1.00 0.19 H new ATOM 0 HG LEU B 23 152.122 2.356 5.236 1.00 0.21 H new ATOM 0 HD11 LEU B 23 150.116 3.273 4.072 1.00 0.23 H new ATOM 0 HD12 LEU B 23 151.468 4.428 4.020 1.00 0.23 H new ATOM 0 HD13 LEU B 23 151.071 3.458 2.582 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.556 0.813 4.086 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.493 0.980 2.582 1.00 0.24 H new ATOM 0 HD23 LEU B 23 152.227 0.208 4.008 1.00 0.24 H new ATOM 1760 N ALA B 24 156.184 0.896 2.733 1.00 0.18 N ATOM 1761 CA ALA B 24 157.467 0.969 1.980 1.00 0.19 C ATOM 1762 C ALA B 24 157.418 2.134 0.987 1.00 0.19 C ATOM 1763 O ALA B 24 156.458 2.317 0.265 1.00 0.20 O ATOM 1764 CB ALA B 24 157.684 -0.341 1.221 1.00 0.21 C ATOM 0 H ALA B 24 155.639 0.047 2.584 1.00 0.18 H new ATOM 0 HA ALA B 24 158.289 1.127 2.679 1.00 0.19 H new ATOM 0 HB1 ALA B 24 158.622 -0.290 0.669 1.00 0.21 H new ATOM 0 HB2 ALA B 24 157.723 -1.169 1.929 1.00 0.21 H new ATOM 0 HB3 ALA B 24 156.861 -0.498 0.524 1.00 0.21 H new ATOM 1770 N GLY B 25 158.456 2.923 0.959 1.00 0.20 N ATOM 1771 CA GLY B 25 158.497 4.094 0.028 1.00 0.21 C ATOM 1772 C GLY B 25 158.091 5.356 0.787 1.00 0.20 C ATOM 1773 O GLY B 25 158.389 6.461 0.378 1.00 0.22 O ATOM 0 H GLY B 25 159.284 2.809 1.543 1.00 0.20 H new ATOM 0 HA2 GLY B 25 159.499 4.210 -0.385 1.00 0.21 H new ATOM 0 HA3 GLY B 25 157.823 3.929 -0.813 1.00 0.21 H new ATOM 1777 N ILE B 26 157.419 5.200 1.896 1.00 0.20 N ATOM 1778 CA ILE B 26 156.996 6.385 2.701 1.00 0.21 C ATOM 1779 C ILE B 26 157.999 6.567 3.836 1.00 0.23 C ATOM 1780 O ILE B 26 158.083 5.748 4.730 1.00 0.25 O ATOM 1781 CB ILE B 26 155.606 6.131 3.289 1.00 0.22 C ATOM 1782 CG1 ILE B 26 154.613 5.794 2.164 1.00 0.22 C ATOM 1783 CG2 ILE B 26 155.133 7.373 4.046 1.00 0.24 C ATOM 1784 CD1 ILE B 26 154.608 6.896 1.095 1.00 0.24 C ATOM 0 H ILE B 26 157.143 4.297 2.282 1.00 0.20 H new ATOM 0 HA ILE B 26 156.962 7.277 2.075 1.00 0.21 H new ATOM 0 HB ILE B 26 155.658 5.288 3.978 1.00 0.22 H new ATOM 0 HG12 ILE B 26 154.881 4.841 1.709 1.00 0.22 H new ATOM 0 HG13 ILE B 26 153.612 5.679 2.579 1.00 0.22 H new ATOM 0 HG21 ILE B 26 154.143 7.189 4.464 1.00 0.24 H new ATOM 0 HG22 ILE B 26 155.832 7.596 4.853 1.00 0.24 H new ATOM 0 HG23 ILE B 26 155.087 8.220 3.362 1.00 0.24 H new ATOM 0 HD11 ILE B 26 153.899 6.637 0.309 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.316 7.843 1.550 1.00 0.24 H new ATOM 0 HD13 ILE B 26 155.606 6.992 0.666 1.00 0.24 H new ATOM 1796 N GLY B 27 158.767 7.624 3.824 1.00 0.24 N ATOM 1797 CA GLY B 27 159.759 7.833 4.918 1.00 0.27 C ATOM 1798 C GLY B 27 159.136 8.683 6.025 1.00 0.28 C ATOM 1799 O GLY B 27 158.000 9.104 5.939 1.00 0.27 O ATOM 0 H GLY B 27 158.750 8.349 3.107 1.00 0.24 H new ATOM 0 HA2 GLY B 27 160.078 6.872 5.321 1.00 0.27 H new ATOM 0 HA3 GLY B 27 160.649 8.325 4.526 1.00 0.27 H new ATOM 1803 N GLU B 28 159.870 8.921 7.074 1.00 0.30 N ATOM 1804 CA GLU B 28 159.319 9.725 8.197 1.00 0.32 C ATOM 1805 C GLU B 28 158.860 11.091 7.679 1.00 0.32 C ATOM 1806 O GLU B 28 157.840 11.605 8.089 1.00 0.35 O ATOM 1807 CB GLU B 28 160.401 9.923 9.260 1.00 0.36 C ATOM 1808 CG GLU B 28 160.681 8.592 9.961 1.00 0.39 C ATOM 1809 CD GLU B 28 161.762 8.791 11.023 1.00 1.27 C ATOM 1810 OE1 GLU B 28 162.276 9.894 11.118 1.00 2.00 O ATOM 1811 OE2 GLU B 28 162.064 7.836 11.719 1.00 1.64 O ATOM 0 H GLU B 28 160.827 8.594 7.202 1.00 0.30 H new ATOM 0 HA GLU B 28 158.469 9.200 8.632 1.00 0.32 H new ATOM 0 HB2 GLU B 28 161.313 10.302 8.799 1.00 0.36 H new ATOM 0 HB3 GLU B 28 160.079 10.668 9.987 1.00 0.36 H new ATOM 0 HG2 GLU B 28 159.769 8.213 10.422 1.00 0.39 H new ATOM 0 HG3 GLU B 28 161.004 7.847 9.234 1.00 0.39 H new ATOM 1818 N VAL B 29 159.603 11.687 6.788 1.00 0.31 N ATOM 1819 CA VAL B 29 159.199 13.022 6.262 1.00 0.33 C ATOM 1820 C VAL B 29 157.920 12.881 5.433 1.00 0.33 C ATOM 1821 O VAL B 29 156.997 13.663 5.557 1.00 0.35 O ATOM 1822 CB VAL B 29 160.325 13.586 5.390 1.00 0.34 C ATOM 1823 CG1 VAL B 29 159.849 14.857 4.683 1.00 0.38 C ATOM 1824 CG2 VAL B 29 161.535 13.911 6.269 1.00 0.35 C ATOM 0 H VAL B 29 160.469 11.310 6.402 1.00 0.31 H new ATOM 0 HA VAL B 29 159.012 13.702 7.093 1.00 0.33 H new ATOM 0 HB VAL B 29 160.606 12.845 4.641 1.00 0.34 H new ATOM 0 HG11 VAL B 29 160.655 15.253 4.065 1.00 0.38 H new ATOM 0 HG12 VAL B 29 158.990 14.623 4.054 1.00 0.38 H new ATOM 0 HG13 VAL B 29 159.563 15.601 5.426 1.00 0.38 H new ATOM 0 HG21 VAL B 29 162.337 14.312 5.650 1.00 0.35 H new ATOM 0 HG22 VAL B 29 161.252 14.649 7.019 1.00 0.35 H new ATOM 0 HG23 VAL B 29 161.879 13.003 6.765 1.00 0.35 H new ATOM 1834 N LEU B 30 157.858 11.893 4.584 1.00 0.32 N ATOM 1835 CA LEU B 30 156.644 11.706 3.742 1.00 0.33 C ATOM 1836 C LEU B 30 155.460 11.328 4.633 1.00 0.32 C ATOM 1837 O LEU B 30 154.344 11.749 4.409 1.00 0.33 O ATOM 1838 CB LEU B 30 156.889 10.594 2.716 1.00 0.33 C ATOM 1839 CG LEU B 30 158.043 10.978 1.776 1.00 0.35 C ATOM 1840 CD1 LEU B 30 158.289 9.831 0.790 1.00 0.36 C ATOM 1841 CD2 LEU B 30 157.694 12.261 0.998 1.00 0.40 C ATOM 0 H LEU B 30 158.597 11.206 4.437 1.00 0.32 H new ATOM 0 HA LEU B 30 156.424 12.635 3.217 1.00 0.33 H new ATOM 0 HB2 LEU B 30 157.125 9.662 3.230 1.00 0.33 H new ATOM 0 HB3 LEU B 30 155.982 10.419 2.137 1.00 0.33 H new ATOM 0 HG LEU B 30 158.941 11.160 2.366 1.00 0.35 H new ATOM 0 HD11 LEU B 30 159.107 10.096 0.120 1.00 0.36 H new ATOM 0 HD12 LEU B 30 158.550 8.927 1.341 1.00 0.36 H new ATOM 0 HD13 LEU B 30 157.385 9.652 0.207 1.00 0.36 H new ATOM 0 HD21 LEU B 30 158.520 12.521 0.336 1.00 0.40 H new ATOM 0 HD22 LEU B 30 156.794 12.094 0.406 1.00 0.40 H new ATOM 0 HD23 LEU B 30 157.521 13.077 1.700 1.00 0.40 H new ATOM 1853 N GLY B 31 155.695 10.537 5.641 1.00 0.33 N ATOM 1854 CA GLY B 31 154.581 10.134 6.544 1.00 0.34 C ATOM 1855 C GLY B 31 153.944 11.383 7.159 1.00 0.35 C ATOM 1856 O GLY B 31 152.743 11.460 7.326 1.00 0.36 O ATOM 0 H GLY B 31 156.609 10.152 5.879 1.00 0.33 H new ATOM 0 HA2 GLY B 31 153.834 9.569 5.987 1.00 0.34 H new ATOM 0 HA3 GLY B 31 154.955 9.479 7.331 1.00 0.34 H new ATOM 1860 N LYS B 32 154.741 12.358 7.503 1.00 0.35 N ATOM 1861 CA LYS B 32 154.186 13.601 8.116 1.00 0.37 C ATOM 1862 C LYS B 32 153.283 14.341 7.123 1.00 0.37 C ATOM 1863 O LYS B 32 152.266 14.890 7.500 1.00 0.38 O ATOM 1864 CB LYS B 32 155.334 14.520 8.532 1.00 0.40 C ATOM 1865 CG LYS B 32 156.072 13.908 9.723 1.00 1.18 C ATOM 1866 CD LYS B 32 157.221 14.826 10.139 1.00 1.36 C ATOM 1867 CE LYS B 32 157.956 14.210 11.330 1.00 2.07 C ATOM 1868 NZ LYS B 32 158.453 12.856 10.955 1.00 2.75 N ATOM 0 H LYS B 32 155.754 12.348 7.386 1.00 0.35 H new ATOM 0 HA LYS B 32 153.594 13.322 8.988 1.00 0.37 H new ATOM 0 HB2 LYS B 32 156.022 14.661 7.698 1.00 0.40 H new ATOM 0 HB3 LYS B 32 154.948 15.504 8.797 1.00 0.40 H new ATOM 0 HG2 LYS B 32 155.384 13.768 10.557 1.00 1.18 H new ATOM 0 HG3 LYS B 32 156.457 12.923 9.458 1.00 1.18 H new ATOM 0 HD2 LYS B 32 157.909 14.966 9.306 1.00 1.36 H new ATOM 0 HD3 LYS B 32 156.837 15.811 10.404 1.00 1.36 H new ATOM 0 HE2 LYS B 32 158.790 14.847 11.627 1.00 2.07 H new ATOM 0 HE3 LYS B 32 157.287 14.140 12.188 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 159.410 12.719 11.337 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 157.817 12.132 11.347 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 158.479 12.770 9.919 1.00 2.75 H new ATOM 1882 N LYS B 33 153.643 14.387 5.870 1.00 0.35 N ATOM 1883 CA LYS B 33 152.789 15.125 4.892 1.00 0.36 C ATOM 1884 C LYS B 33 151.450 14.404 4.728 1.00 0.34 C ATOM 1885 O LYS B 33 150.402 15.019 4.737 1.00 0.36 O ATOM 1886 CB LYS B 33 153.505 15.185 3.543 1.00 0.36 C ATOM 1887 CG LYS B 33 154.725 16.095 3.665 1.00 0.39 C ATOM 1888 CD LYS B 33 155.454 16.166 2.323 1.00 0.64 C ATOM 1889 CE LYS B 33 156.674 17.079 2.456 1.00 0.66 C ATOM 1890 NZ LYS B 33 157.581 16.543 3.510 1.00 1.56 N ATOM 0 H LYS B 33 154.480 13.952 5.483 1.00 0.35 H new ATOM 0 HA LYS B 33 152.609 16.136 5.258 1.00 0.36 H new ATOM 0 HB2 LYS B 33 153.811 14.185 3.235 1.00 0.36 H new ATOM 0 HB3 LYS B 33 152.830 15.562 2.775 1.00 0.36 H new ATOM 0 HG2 LYS B 33 154.416 17.093 3.975 1.00 0.39 H new ATOM 0 HG3 LYS B 33 155.397 15.716 4.435 1.00 0.39 H new ATOM 0 HD2 LYS B 33 155.765 15.169 2.012 1.00 0.64 H new ATOM 0 HD3 LYS B 33 154.784 16.546 1.552 1.00 0.64 H new ATOM 0 HE2 LYS B 33 157.201 17.141 1.504 1.00 0.66 H new ATOM 0 HE3 LYS B 33 156.359 18.091 2.712 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 158.566 16.600 3.182 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 157.472 17.103 4.379 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 157.338 15.551 3.705 1.00 1.56 H new ATOM 1904 N LEU B 34 151.468 13.108 4.598 1.00 0.32 N ATOM 1905 CA LEU B 34 150.187 12.362 4.458 1.00 0.31 C ATOM 1906 C LEU B 34 149.360 12.560 5.737 1.00 0.31 C ATOM 1907 O LEU B 34 148.158 12.726 5.700 1.00 0.32 O ATOM 1908 CB LEU B 34 150.480 10.874 4.225 1.00 0.28 C ATOM 1909 CG LEU B 34 151.088 10.677 2.825 1.00 0.29 C ATOM 1910 CD1 LEU B 34 151.604 9.240 2.698 1.00 0.29 C ATOM 1911 CD2 LEU B 34 150.030 10.950 1.729 1.00 0.33 C ATOM 0 H LEU B 34 152.311 12.534 4.583 1.00 0.32 H new ATOM 0 HA LEU B 34 149.622 12.736 3.604 1.00 0.31 H new ATOM 0 HB2 LEU B 34 151.168 10.506 4.986 1.00 0.28 H new ATOM 0 HB3 LEU B 34 149.562 10.294 4.318 1.00 0.28 H new ATOM 0 HG LEU B 34 151.911 11.380 2.693 1.00 0.29 H new ATOM 0 HD11 LEU B 34 152.036 9.095 1.708 1.00 0.29 H new ATOM 0 HD12 LEU B 34 152.366 9.059 3.456 1.00 0.29 H new ATOM 0 HD13 LEU B 34 150.778 8.543 2.839 1.00 0.29 H new ATOM 0 HD21 LEU B 34 150.479 10.806 0.746 1.00 0.33 H new ATOM 0 HD22 LEU B 34 149.194 10.261 1.851 1.00 0.33 H new ATOM 0 HD23 LEU B 34 149.671 11.976 1.817 1.00 0.33 H new ATOM 1923 N GLU B 35 150.010 12.542 6.868 1.00 0.31 N ATOM 1924 CA GLU B 35 149.264 12.724 8.154 1.00 0.34 C ATOM 1925 C GLU B 35 148.560 14.085 8.146 1.00 0.37 C ATOM 1926 O GLU B 35 147.419 14.207 8.545 1.00 0.39 O ATOM 1927 CB GLU B 35 150.239 12.657 9.335 1.00 0.35 C ATOM 1928 CG GLU B 35 149.470 12.828 10.650 1.00 0.92 C ATOM 1929 CD GLU B 35 150.435 12.696 11.828 1.00 1.02 C ATOM 1930 OE1 GLU B 35 151.592 12.391 11.590 1.00 1.68 O ATOM 1931 OE2 GLU B 35 150.000 12.900 12.950 1.00 1.35 O ATOM 0 H GLU B 35 151.017 12.411 6.962 1.00 0.31 H new ATOM 0 HA GLU B 35 148.524 11.931 8.256 1.00 0.34 H new ATOM 0 HB2 GLU B 35 150.765 11.702 9.331 1.00 0.35 H new ATOM 0 HB3 GLU B 35 150.994 13.437 9.240 1.00 0.35 H new ATOM 0 HG2 GLU B 35 148.982 13.802 10.674 1.00 0.92 H new ATOM 0 HG3 GLU B 35 148.684 12.076 10.724 1.00 0.92 H new ATOM 1938 N GLU B 36 149.228 15.105 7.683 1.00 0.39 N ATOM 1939 CA GLU B 36 148.602 16.457 7.635 1.00 0.44 C ATOM 1940 C GLU B 36 147.452 16.431 6.628 1.00 0.45 C ATOM 1941 O GLU B 36 146.580 17.279 6.634 1.00 0.49 O ATOM 1942 CB GLU B 36 149.646 17.483 7.187 1.00 0.46 C ATOM 1943 CG GLU B 36 150.687 17.681 8.293 1.00 1.11 C ATOM 1944 CD GLU B 36 150.062 18.465 9.449 1.00 1.38 C ATOM 1945 OE1 GLU B 36 149.165 19.251 9.189 1.00 1.85 O ATOM 1946 OE2 GLU B 36 150.493 18.270 10.574 1.00 1.99 O ATOM 0 H GLU B 36 150.185 15.060 7.334 1.00 0.39 H new ATOM 0 HA GLU B 36 148.227 16.729 8.621 1.00 0.44 H new ATOM 0 HB2 GLU B 36 150.133 17.144 6.273 1.00 0.46 H new ATOM 0 HB3 GLU B 36 149.161 18.432 6.957 1.00 0.46 H new ATOM 0 HG2 GLU B 36 151.045 16.714 8.647 1.00 1.11 H new ATOM 0 HG3 GLU B 36 151.551 18.217 7.901 1.00 1.11 H new ATOM 1953 N ARG B 37 147.464 15.469 5.753 1.00 0.42 N ATOM 1954 CA ARG B 37 146.393 15.374 4.718 1.00 0.45 C ATOM 1955 C ARG B 37 145.242 14.503 5.234 1.00 0.42 C ATOM 1956 O ARG B 37 144.266 14.286 4.543 1.00 0.43 O ATOM 1957 CB ARG B 37 146.981 14.746 3.450 1.00 0.45 C ATOM 1958 CG ARG B 37 148.019 15.690 2.820 1.00 0.52 C ATOM 1959 CD ARG B 37 147.326 16.792 2.007 1.00 0.86 C ATOM 1960 NE ARG B 37 148.348 17.552 1.237 1.00 1.42 N ATOM 1961 CZ ARG B 37 147.988 18.289 0.224 1.00 1.87 C ATOM 1962 NH1 ARG B 37 146.736 18.326 -0.143 1.00 2.15 N ATOM 1963 NH2 ARG B 37 148.881 18.981 -0.429 1.00 2.68 N ATOM 0 H ARG B 37 148.173 14.737 5.707 1.00 0.42 H new ATOM 0 HA ARG B 37 146.011 16.371 4.497 1.00 0.45 H new ATOM 0 HB2 ARG B 37 147.447 13.791 3.691 1.00 0.45 H new ATOM 0 HB3 ARG B 37 146.185 14.540 2.735 1.00 0.45 H new ATOM 0 HG2 ARG B 37 148.632 16.139 3.602 1.00 0.52 H new ATOM 0 HG3 ARG B 37 148.690 15.123 2.175 1.00 0.52 H new ATOM 0 HD2 ARG B 37 146.594 16.354 1.328 1.00 0.86 H new ATOM 0 HD3 ARG B 37 146.782 17.463 2.672 1.00 0.86 H new ATOM 0 HE ARG B 37 149.331 17.496 1.502 1.00 1.42 H new ATOM 0 HH11 ARG B 37 146.040 17.778 0.363 1.00 2.15 H new ATOM 0 HH12 ARG B 37 146.454 18.903 -0.936 1.00 2.15 H new ATOM 0 HH21 ARG B 37 149.860 18.945 -0.147 1.00 2.68 H new ATOM 0 HH22 ARG B 37 148.600 19.558 -1.222 1.00 2.68 H new ATOM 1977 N GLY B 38 145.332 14.022 6.449 1.00 0.41 N ATOM 1978 CA GLY B 38 144.223 13.189 7.014 1.00 0.39 C ATOM 1979 C GLY B 38 144.550 11.701 6.896 1.00 0.37 C ATOM 1980 O GLY B 38 143.679 10.889 6.651 1.00 0.49 O ATOM 0 H GLY B 38 146.124 14.169 7.074 1.00 0.41 H new ATOM 0 HA2 GLY B 38 144.063 13.449 8.060 1.00 0.39 H new ATOM 0 HA3 GLY B 38 143.294 13.405 6.486 1.00 0.39 H new ATOM 1984 N PHE B 39 145.790 11.325 7.082 1.00 0.31 N ATOM 1985 CA PHE B 39 146.184 9.884 7.002 1.00 0.28 C ATOM 1986 C PHE B 39 147.046 9.556 8.221 1.00 0.28 C ATOM 1987 O PHE B 39 148.243 9.376 8.113 1.00 0.28 O ATOM 1988 CB PHE B 39 147.007 9.665 5.735 1.00 0.27 C ATOM 1989 CG PHE B 39 146.132 9.830 4.517 1.00 0.28 C ATOM 1990 CD1 PHE B 39 145.874 11.109 4.018 1.00 0.31 C ATOM 1991 CD2 PHE B 39 145.588 8.708 3.882 1.00 0.27 C ATOM 1992 CE1 PHE B 39 145.067 11.271 2.887 1.00 0.33 C ATOM 1993 CE2 PHE B 39 144.780 8.868 2.750 1.00 0.30 C ATOM 1994 CZ PHE B 39 144.519 10.151 2.252 1.00 0.32 C ATOM 0 H PHE B 39 146.557 11.964 7.289 1.00 0.31 H new ATOM 0 HA PHE B 39 145.300 9.247 6.980 1.00 0.28 H new ATOM 0 HB2 PHE B 39 147.832 10.377 5.700 1.00 0.27 H new ATOM 0 HB3 PHE B 39 147.447 8.668 5.745 1.00 0.27 H new ATOM 0 HD1 PHE B 39 146.298 11.974 4.506 1.00 0.31 H new ATOM 0 HD2 PHE B 39 145.791 7.719 4.265 1.00 0.27 H new ATOM 0 HE1 PHE B 39 144.867 12.261 2.504 1.00 0.33 H new ATOM 0 HE2 PHE B 39 144.358 8.003 2.261 1.00 0.30 H new ATOM 0 HZ PHE B 39 143.896 10.276 1.379 1.00 0.32 H new ATOM 2004 N ASP B 40 146.459 9.505 9.385 1.00 0.30 N ATOM 2005 CA ASP B 40 147.272 9.223 10.600 1.00 0.31 C ATOM 2006 C ASP B 40 147.590 7.729 10.676 1.00 0.29 C ATOM 2007 O ASP B 40 148.400 7.303 11.476 1.00 0.30 O ATOM 2008 CB ASP B 40 146.488 9.649 11.844 1.00 0.35 C ATOM 2009 CG ASP B 40 145.205 8.824 11.950 1.00 0.37 C ATOM 2010 OD1 ASP B 40 144.780 8.294 10.937 1.00 0.36 O ATOM 2011 OD2 ASP B 40 144.673 8.729 13.045 1.00 0.41 O ATOM 0 H ASP B 40 145.462 9.645 9.546 1.00 0.30 H new ATOM 0 HA ASP B 40 148.206 9.782 10.549 1.00 0.31 H new ATOM 0 HB2 ASP B 40 147.098 9.508 12.736 1.00 0.35 H new ATOM 0 HB3 ASP B 40 146.246 10.710 11.788 1.00 0.35 H new ATOM 2016 N LYS B 41 146.964 6.929 9.848 1.00 0.28 N ATOM 2017 CA LYS B 41 147.229 5.455 9.863 1.00 0.28 C ATOM 2018 C LYS B 41 147.477 4.981 8.427 1.00 0.23 C ATOM 2019 O LYS B 41 147.015 5.579 7.476 1.00 0.23 O ATOM 2020 CB LYS B 41 146.011 4.730 10.447 1.00 0.33 C ATOM 2021 CG LYS B 41 145.746 5.216 11.882 1.00 0.47 C ATOM 2022 CD LYS B 41 146.832 4.709 12.841 1.00 0.74 C ATOM 2023 CE LYS B 41 146.356 4.882 14.286 1.00 0.71 C ATOM 2024 NZ LYS B 41 145.156 4.030 14.524 1.00 1.56 N ATOM 0 H LYS B 41 146.277 7.235 9.159 1.00 0.28 H new ATOM 0 HA LYS B 41 148.104 5.237 10.475 1.00 0.28 H new ATOM 0 HB2 LYS B 41 145.135 4.914 9.825 1.00 0.33 H new ATOM 0 HB3 LYS B 41 146.183 3.654 10.445 1.00 0.33 H new ATOM 0 HG2 LYS B 41 145.717 6.305 11.902 1.00 0.47 H new ATOM 0 HG3 LYS B 41 144.769 4.865 12.214 1.00 0.47 H new ATOM 0 HD2 LYS B 41 147.048 3.660 12.641 1.00 0.74 H new ATOM 0 HD3 LYS B 41 147.759 5.261 12.683 1.00 0.74 H new ATOM 0 HE2 LYS B 41 147.153 4.607 14.977 1.00 0.71 H new ATOM 0 HE3 LYS B 41 146.115 5.928 14.477 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 145.308 3.445 15.370 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 144.323 4.636 14.667 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 144.999 3.414 13.701 1.00 1.56 H new ATOM 2038 N ALA B 42 148.222 3.922 8.270 1.00 0.21 N ATOM 2039 CA ALA B 42 148.532 3.408 6.901 1.00 0.20 C ATOM 2040 C ALA B 42 147.268 2.894 6.201 1.00 0.18 C ATOM 2041 O ALA B 42 147.096 3.070 5.012 1.00 0.18 O ATOM 2042 CB ALA B 42 149.546 2.267 7.015 1.00 0.21 C ATOM 0 H ALA B 42 148.633 3.386 9.034 1.00 0.21 H new ATOM 0 HA ALA B 42 148.942 4.226 6.308 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.778 1.886 6.021 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.458 2.636 7.484 1.00 0.21 H new ATOM 0 HB3 ALA B 42 149.125 1.465 7.622 1.00 0.21 H new ATOM 2048 N TYR B 43 146.405 2.226 6.912 1.00 0.18 N ATOM 2049 CA TYR B 43 145.183 1.663 6.267 1.00 0.18 C ATOM 2050 C TYR B 43 144.372 2.764 5.567 1.00 0.17 C ATOM 2051 O TYR B 43 143.544 2.487 4.722 1.00 0.17 O ATOM 2052 CB TYR B 43 144.324 0.932 7.309 1.00 0.20 C ATOM 2053 CG TYR B 43 143.489 1.902 8.116 1.00 0.21 C ATOM 2054 CD1 TYR B 43 142.331 2.450 7.556 1.00 0.21 C ATOM 2055 CD2 TYR B 43 143.860 2.237 9.423 1.00 0.24 C ATOM 2056 CE1 TYR B 43 141.545 3.333 8.298 1.00 0.25 C ATOM 2057 CE2 TYR B 43 143.073 3.124 10.165 1.00 0.28 C ATOM 2058 CZ TYR B 43 141.915 3.671 9.603 1.00 0.27 C ATOM 2059 OH TYR B 43 141.139 4.544 10.337 1.00 0.32 O ATOM 0 H TYR B 43 146.491 2.044 7.912 1.00 0.18 H new ATOM 0 HA TYR B 43 145.494 0.946 5.507 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.671 0.217 6.808 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.968 0.361 7.977 1.00 0.20 H new ATOM 0 HD1 TYR B 43 142.044 2.190 6.548 1.00 0.21 H new ATOM 0 HD2 TYR B 43 144.752 1.812 9.858 1.00 0.24 H new ATOM 0 HE1 TYR B 43 140.651 3.755 7.864 1.00 0.25 H new ATOM 0 HE2 TYR B 43 143.360 3.387 11.173 1.00 0.28 H new ATOM 0 HH TYR B 43 141.538 4.670 11.223 1.00 0.32 H new ATOM 2069 N VAL B 44 144.602 4.002 5.896 1.00 0.18 N ATOM 2070 CA VAL B 44 143.843 5.100 5.226 1.00 0.18 C ATOM 2071 C VAL B 44 144.484 5.352 3.857 1.00 0.17 C ATOM 2072 O VAL B 44 143.840 5.741 2.899 1.00 0.17 O ATOM 2073 CB VAL B 44 143.908 6.370 6.087 1.00 0.20 C ATOM 2074 CG1 VAL B 44 143.064 7.486 5.453 1.00 0.21 C ATOM 2075 CG2 VAL B 44 143.368 6.065 7.487 1.00 0.24 C ATOM 0 H VAL B 44 145.279 4.304 6.596 1.00 0.18 H new ATOM 0 HA VAL B 44 142.796 4.823 5.101 1.00 0.18 H new ATOM 0 HB VAL B 44 144.945 6.699 6.152 1.00 0.20 H new ATOM 0 HG11 VAL B 44 143.119 8.381 6.073 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.447 7.711 4.457 1.00 0.21 H new ATOM 0 HG13 VAL B 44 142.027 7.160 5.378 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.414 6.966 8.099 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.334 5.729 7.413 1.00 0.24 H new ATOM 0 HG23 VAL B 44 143.972 5.283 7.947 1.00 0.24 H new ATOM 2085 N VAL B 45 145.760 5.108 3.783 1.00 0.17 N ATOM 2086 CA VAL B 45 146.502 5.301 2.506 1.00 0.17 C ATOM 2087 C VAL B 45 146.173 4.128 1.582 1.00 0.15 C ATOM 2088 O VAL B 45 146.023 4.289 0.387 1.00 0.15 O ATOM 2089 CB VAL B 45 148.005 5.344 2.789 1.00 0.18 C ATOM 2090 CG1 VAL B 45 148.786 5.270 1.475 1.00 0.22 C ATOM 2091 CG2 VAL B 45 148.347 6.651 3.510 1.00 0.20 C ATOM 0 H VAL B 45 146.329 4.779 4.563 1.00 0.17 H new ATOM 0 HA VAL B 45 146.211 6.239 2.033 1.00 0.17 H new ATOM 0 HB VAL B 45 148.277 4.494 3.415 1.00 0.18 H new ATOM 0 HG11 VAL B 45 149.855 5.301 1.685 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.544 4.340 0.960 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.516 6.116 0.843 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.417 6.685 3.713 1.00 0.20 H new ATOM 0 HG22 VAL B 45 148.070 7.497 2.881 1.00 0.20 H new ATOM 0 HG23 VAL B 45 147.797 6.703 4.450 1.00 0.20 H new ATOM 2101 N LEU B 46 146.029 2.956 2.130 1.00 0.17 N ATOM 2102 CA LEU B 46 145.674 1.783 1.289 1.00 0.17 C ATOM 2103 C LEU B 46 144.333 2.092 0.626 1.00 0.17 C ATOM 2104 O LEU B 46 144.098 1.778 -0.521 1.00 0.17 O ATOM 2105 CB LEU B 46 145.534 0.538 2.179 1.00 0.22 C ATOM 2106 CG LEU B 46 145.196 -0.711 1.333 1.00 0.25 C ATOM 2107 CD1 LEU B 46 146.457 -1.219 0.615 1.00 0.40 C ATOM 2108 CD2 LEU B 46 144.614 -1.818 2.241 1.00 0.35 C ATOM 0 H LEU B 46 146.142 2.760 3.125 1.00 0.17 H new ATOM 0 HA LEU B 46 146.443 1.592 0.540 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.462 0.371 2.726 1.00 0.22 H new ATOM 0 HB3 LEU B 46 144.752 0.702 2.920 1.00 0.22 H new ATOM 0 HG LEU B 46 144.452 -0.443 0.583 1.00 0.25 H new ATOM 0 HD11 LEU B 46 146.208 -2.099 0.022 1.00 0.40 H new ATOM 0 HD12 LEU B 46 146.843 -0.437 -0.039 1.00 0.40 H new ATOM 0 HD13 LEU B 46 147.215 -1.481 1.353 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.378 -2.695 1.639 1.00 0.35 H new ATOM 0 HD22 LEU B 46 145.346 -2.087 3.002 1.00 0.35 H new ATOM 0 HD23 LEU B 46 143.707 -1.454 2.723 1.00 0.35 H new ATOM 2120 N GLY B 47 143.452 2.708 1.365 1.00 0.17 N ATOM 2121 CA GLY B 47 142.112 3.048 0.820 1.00 0.18 C ATOM 2122 C GLY B 47 142.257 3.919 -0.428 1.00 0.17 C ATOM 2123 O GLY B 47 141.590 3.704 -1.420 1.00 0.18 O ATOM 0 H GLY B 47 143.607 2.992 2.332 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.569 2.136 0.575 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.527 3.574 1.574 1.00 0.18 H new ATOM 2127 N GLN B 48 143.124 4.896 -0.402 1.00 0.17 N ATOM 2128 CA GLN B 48 143.295 5.757 -1.609 1.00 0.18 C ATOM 2129 C GLN B 48 143.734 4.883 -2.790 1.00 0.17 C ATOM 2130 O GLN B 48 143.248 5.021 -3.895 1.00 0.18 O ATOM 2131 CB GLN B 48 144.354 6.827 -1.325 1.00 0.18 C ATOM 2132 CG GLN B 48 144.427 7.810 -2.496 1.00 0.22 C ATOM 2133 CD GLN B 48 143.112 8.587 -2.603 1.00 0.28 C ATOM 2134 OE1 GLN B 48 142.654 9.167 -1.639 1.00 0.97 O ATOM 2135 NE2 GLN B 48 142.482 8.622 -3.745 1.00 1.09 N ATOM 0 H GLN B 48 143.716 5.134 0.394 1.00 0.17 H new ATOM 0 HA GLN B 48 142.352 6.247 -1.854 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.108 7.360 -0.406 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.326 6.358 -1.171 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.258 8.501 -2.352 1.00 0.22 H new ATOM 0 HG3 GLN B 48 144.618 7.271 -3.424 1.00 0.22 H new ATOM 0 HE21 GLN B 48 142.866 8.135 -4.555 1.00 1.09 H new ATOM 0 HE22 GLN B 48 141.605 9.136 -3.828 1.00 1.09 H new ATOM 2144 N PHE B 49 144.640 3.971 -2.555 1.00 0.17 N ATOM 2145 CA PHE B 49 145.109 3.063 -3.645 1.00 0.17 C ATOM 2146 C PHE B 49 143.914 2.268 -4.176 1.00 0.18 C ATOM 2147 O PHE B 49 143.753 2.083 -5.367 1.00 0.19 O ATOM 2148 CB PHE B 49 146.171 2.117 -3.067 1.00 0.18 C ATOM 2149 CG PHE B 49 146.558 1.063 -4.081 1.00 0.20 C ATOM 2150 CD1 PHE B 49 147.356 1.404 -5.181 1.00 0.24 C ATOM 2151 CD2 PHE B 49 146.135 -0.261 -3.908 1.00 0.27 C ATOM 2152 CE1 PHE B 49 147.728 0.420 -6.107 1.00 0.27 C ATOM 2153 CE2 PHE B 49 146.504 -1.242 -4.835 1.00 0.31 C ATOM 2154 CZ PHE B 49 147.302 -0.902 -5.934 1.00 0.27 C ATOM 0 H PHE B 49 145.079 3.814 -1.648 1.00 0.17 H new ATOM 0 HA PHE B 49 145.545 3.634 -4.465 1.00 0.17 H new ATOM 0 HB2 PHE B 49 147.052 2.687 -2.774 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.787 1.638 -2.166 1.00 0.18 H new ATOM 0 HD1 PHE B 49 147.684 2.424 -5.315 1.00 0.24 H new ATOM 0 HD2 PHE B 49 145.523 -0.525 -3.058 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.344 0.682 -6.955 1.00 0.27 H new ATOM 0 HE2 PHE B 49 146.173 -2.262 -4.703 1.00 0.31 H new ATOM 0 HZ PHE B 49 147.589 -1.660 -6.648 1.00 0.27 H new ATOM 2164 N LEU B 50 143.084 1.803 -3.299 1.00 0.18 N ATOM 2165 CA LEU B 50 141.896 1.021 -3.747 1.00 0.20 C ATOM 2166 C LEU B 50 140.929 1.967 -4.470 1.00 0.21 C ATOM 2167 O LEU B 50 140.309 1.606 -5.452 1.00 0.23 O ATOM 2168 CB LEU B 50 141.211 0.384 -2.534 1.00 0.22 C ATOM 2169 CG LEU B 50 142.190 -0.560 -1.818 1.00 0.23 C ATOM 2170 CD1 LEU B 50 141.578 -1.015 -0.490 1.00 0.27 C ATOM 2171 CD2 LEU B 50 142.487 -1.790 -2.692 1.00 0.27 C ATOM 0 H LEU B 50 143.170 1.926 -2.290 1.00 0.18 H new ATOM 0 HA LEU B 50 142.204 0.227 -4.427 1.00 0.20 H new ATOM 0 HB2 LEU B 50 140.872 1.160 -1.847 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.327 -0.168 -2.853 1.00 0.22 H new ATOM 0 HG LEU B 50 143.122 -0.026 -1.633 1.00 0.23 H new ATOM 0 HD11 LEU B 50 142.271 -1.685 0.019 1.00 0.27 H new ATOM 0 HD12 LEU B 50 141.385 -0.146 0.139 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.642 -1.539 -0.681 1.00 0.27 H new ATOM 0 HD21 LEU B 50 143.182 -2.448 -2.170 1.00 0.27 H new ATOM 0 HD22 LEU B 50 141.560 -2.327 -2.892 1.00 0.27 H new ATOM 0 HD23 LEU B 50 142.930 -1.468 -3.634 1.00 0.27 H new ATOM 2183 N VAL B 51 140.791 3.168 -3.988 1.00 0.21 N ATOM 2184 CA VAL B 51 139.858 4.141 -4.635 1.00 0.23 C ATOM 2185 C VAL B 51 140.356 4.490 -6.048 1.00 0.23 C ATOM 2186 O VAL B 51 139.596 4.916 -6.893 1.00 0.25 O ATOM 2187 CB VAL B 51 139.773 5.409 -3.771 1.00 0.25 C ATOM 2188 CG1 VAL B 51 139.105 6.547 -4.550 1.00 0.28 C ATOM 2189 CG2 VAL B 51 138.946 5.111 -2.518 1.00 0.27 C ATOM 0 H VAL B 51 141.285 3.524 -3.170 1.00 0.21 H new ATOM 0 HA VAL B 51 138.867 3.695 -4.720 1.00 0.23 H new ATOM 0 HB VAL B 51 140.783 5.713 -3.495 1.00 0.25 H new ATOM 0 HG11 VAL B 51 139.054 7.437 -3.922 1.00 0.28 H new ATOM 0 HG12 VAL B 51 139.688 6.767 -5.444 1.00 0.28 H new ATOM 0 HG13 VAL B 51 138.097 6.248 -4.839 1.00 0.28 H new ATOM 0 HG21 VAL B 51 138.883 6.008 -1.902 1.00 0.27 H new ATOM 0 HG22 VAL B 51 137.943 4.800 -2.810 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.422 4.313 -1.949 1.00 0.27 H new ATOM 2199 N LEU B 52 141.626 4.316 -6.307 1.00 0.22 N ATOM 2200 CA LEU B 52 142.169 4.646 -7.666 1.00 0.23 C ATOM 2201 C LEU B 52 142.143 3.397 -8.552 1.00 0.23 C ATOM 2202 O LEU B 52 142.791 3.344 -9.579 1.00 0.24 O ATOM 2203 CB LEU B 52 143.608 5.157 -7.542 1.00 0.24 C ATOM 2204 CG LEU B 52 143.634 6.502 -6.800 1.00 0.25 C ATOM 2205 CD1 LEU B 52 145.091 6.941 -6.622 1.00 0.30 C ATOM 2206 CD2 LEU B 52 142.870 7.576 -7.602 1.00 0.27 C ATOM 0 H LEU B 52 142.312 3.961 -5.641 1.00 0.22 H new ATOM 0 HA LEU B 52 141.550 5.421 -8.117 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.216 4.427 -7.007 1.00 0.24 H new ATOM 0 HB3 LEU B 52 144.047 5.272 -8.533 1.00 0.24 H new ATOM 0 HG LEU B 52 143.153 6.385 -5.829 1.00 0.25 H new ATOM 0 HD11 LEU B 52 145.122 7.895 -6.096 1.00 0.30 H new ATOM 0 HD12 LEU B 52 145.629 6.190 -6.043 1.00 0.30 H new ATOM 0 HD13 LEU B 52 145.560 7.050 -7.600 1.00 0.30 H new ATOM 0 HD21 LEU B 52 142.898 8.522 -7.062 1.00 0.27 H new ATOM 0 HD22 LEU B 52 143.337 7.702 -8.579 1.00 0.27 H new ATOM 0 HD23 LEU B 52 141.834 7.264 -7.733 1.00 0.27 H new ATOM 2218 N LYS B 53 141.396 2.398 -8.180 1.00 0.23 N ATOM 2219 CA LYS B 53 141.318 1.162 -9.013 1.00 0.24 C ATOM 2220 C LYS B 53 142.721 0.663 -9.366 1.00 0.24 C ATOM 2221 O LYS B 53 142.965 0.216 -10.469 1.00 0.30 O ATOM 2222 CB LYS B 53 140.548 1.455 -10.300 1.00 0.29 C ATOM 2223 CG LYS B 53 139.125 1.901 -9.953 1.00 0.39 C ATOM 2224 CD LYS B 53 138.359 2.193 -11.243 1.00 0.48 C ATOM 2225 CE LYS B 53 136.944 2.673 -10.907 1.00 0.92 C ATOM 2226 NZ LYS B 53 136.334 1.765 -9.896 1.00 1.71 N ATOM 0 H LYS B 53 140.832 2.382 -7.330 1.00 0.23 H new ATOM 0 HA LYS B 53 140.801 0.391 -8.441 1.00 0.24 H new ATOM 0 HB2 LYS B 53 141.055 2.233 -10.871 1.00 0.29 H new ATOM 0 HB3 LYS B 53 140.519 0.566 -10.929 1.00 0.29 H new ATOM 0 HG2 LYS B 53 138.617 1.124 -9.383 1.00 0.39 H new ATOM 0 HG3 LYS B 53 139.154 2.791 -9.324 1.00 0.39 H new ATOM 0 HD2 LYS B 53 138.882 2.952 -11.824 1.00 0.48 H new ATOM 0 HD3 LYS B 53 138.312 1.296 -11.860 1.00 0.48 H new ATOM 0 HE2 LYS B 53 136.977 3.692 -10.522 1.00 0.92 H new ATOM 0 HE3 LYS B 53 136.332 2.693 -11.809 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 135.350 2.053 -9.720 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 136.351 0.788 -10.252 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 136.875 1.820 -9.009 1.00 1.71 H new ATOM 2240 N LYS B 54 143.644 0.731 -8.438 1.00 0.23 N ATOM 2241 CA LYS B 54 145.038 0.254 -8.688 1.00 0.26 C ATOM 2242 C LYS B 54 145.631 0.993 -9.890 1.00 0.28 C ATOM 2243 O LYS B 54 146.602 0.554 -10.472 1.00 0.34 O ATOM 2244 CB LYS B 54 145.020 -1.252 -8.980 1.00 0.36 C ATOM 2245 CG LYS B 54 144.435 -2.004 -7.783 1.00 0.67 C ATOM 2246 CD LYS B 54 144.421 -3.504 -8.082 1.00 0.83 C ATOM 2247 CE LYS B 54 143.837 -4.262 -6.889 1.00 1.41 C ATOM 2248 NZ LYS B 54 144.648 -3.980 -5.671 1.00 2.25 N ATOM 0 H LYS B 54 143.486 1.104 -7.502 1.00 0.23 H new ATOM 0 HA LYS B 54 145.646 0.450 -7.805 1.00 0.26 H new ATOM 0 HB2 LYS B 54 144.427 -1.452 -9.872 1.00 0.36 H new ATOM 0 HB3 LYS B 54 146.031 -1.604 -9.184 1.00 0.36 H new ATOM 0 HG2 LYS B 54 145.028 -1.806 -6.890 1.00 0.67 H new ATOM 0 HG3 LYS B 54 143.423 -1.653 -7.578 1.00 0.67 H new ATOM 0 HD2 LYS B 54 143.829 -3.701 -8.976 1.00 0.83 H new ATOM 0 HD3 LYS B 54 145.433 -3.853 -8.287 1.00 0.83 H new ATOM 0 HE2 LYS B 54 142.802 -3.962 -6.726 1.00 1.41 H new ATOM 0 HE3 LYS B 54 143.830 -5.333 -7.094 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 144.431 -4.685 -4.938 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 145.659 -4.028 -5.909 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 144.421 -3.030 -5.315 1.00 2.25 H new ATOM 2262 N ASP B 55 145.082 2.116 -10.263 1.00 0.30 N ATOM 2263 CA ASP B 55 145.663 2.858 -11.417 1.00 0.39 C ATOM 2264 C ASP B 55 147.017 3.430 -10.982 1.00 0.38 C ATOM 2265 O ASP B 55 147.096 4.333 -10.172 1.00 0.37 O ATOM 2266 CB ASP B 55 144.708 3.979 -11.832 1.00 0.47 C ATOM 2267 CG ASP B 55 145.303 4.771 -13.002 1.00 1.18 C ATOM 2268 OD1 ASP B 55 146.508 4.964 -13.016 1.00 1.80 O ATOM 2269 OD2 ASP B 55 144.541 5.166 -13.869 1.00 1.54 O ATOM 0 H ASP B 55 144.268 2.547 -9.826 1.00 0.30 H new ATOM 0 HA ASP B 55 145.805 2.197 -12.272 1.00 0.39 H new ATOM 0 HB2 ASP B 55 143.744 3.559 -12.120 1.00 0.47 H new ATOM 0 HB3 ASP B 55 144.526 4.644 -10.988 1.00 0.47 H new ATOM 2274 N GLU B 56 148.080 2.874 -11.494 1.00 0.39 N ATOM 2275 CA GLU B 56 149.454 3.319 -11.111 1.00 0.38 C ATOM 2276 C GLU B 56 149.717 4.792 -11.458 1.00 0.38 C ATOM 2277 O GLU B 56 150.354 5.503 -10.709 1.00 0.38 O ATOM 2278 CB GLU B 56 150.469 2.441 -11.855 1.00 0.40 C ATOM 2279 CG GLU B 56 151.898 2.857 -11.493 1.00 0.41 C ATOM 2280 CD GLU B 56 152.886 1.897 -12.158 1.00 0.63 C ATOM 2281 OE1 GLU B 56 152.436 0.902 -12.702 1.00 0.88 O ATOM 2282 OE2 GLU B 56 154.073 2.173 -12.112 1.00 0.85 O ATOM 0 H GLU B 56 148.056 2.115 -12.175 1.00 0.39 H new ATOM 0 HA GLU B 56 149.551 3.220 -10.030 1.00 0.38 H new ATOM 0 HB2 GLU B 56 150.312 1.394 -11.598 1.00 0.40 H new ATOM 0 HB3 GLU B 56 150.318 2.531 -12.931 1.00 0.40 H new ATOM 0 HG2 GLU B 56 152.087 3.878 -11.823 1.00 0.41 H new ATOM 0 HG3 GLU B 56 152.031 2.842 -10.411 1.00 0.41 H new ATOM 2289 N ASP B 57 149.261 5.256 -12.586 1.00 0.40 N ATOM 2290 CA ASP B 57 149.529 6.677 -12.966 1.00 0.42 C ATOM 2291 C ASP B 57 148.752 7.628 -12.055 1.00 0.41 C ATOM 2292 O ASP B 57 149.257 8.650 -11.634 1.00 0.41 O ATOM 2293 CB ASP B 57 149.101 6.896 -14.418 1.00 0.45 C ATOM 2294 CG ASP B 57 150.060 6.151 -15.351 1.00 0.47 C ATOM 2295 OD1 ASP B 57 151.157 5.843 -14.915 1.00 0.65 O ATOM 2296 OD2 ASP B 57 149.679 5.900 -16.483 1.00 0.74 O ATOM 0 H ASP B 57 148.717 4.719 -13.261 1.00 0.40 H new ATOM 0 HA ASP B 57 150.594 6.881 -12.857 1.00 0.42 H new ATOM 0 HB2 ASP B 57 148.082 6.539 -14.566 1.00 0.45 H new ATOM 0 HB3 ASP B 57 149.103 7.961 -14.652 1.00 0.45 H new ATOM 2301 N LEU B 58 147.546 7.297 -11.732 1.00 0.40 N ATOM 2302 CA LEU B 58 146.769 8.191 -10.829 1.00 0.40 C ATOM 2303 C LEU B 58 147.365 8.120 -9.421 1.00 0.38 C ATOM 2304 O LEU B 58 147.477 9.113 -8.731 1.00 0.38 O ATOM 2305 CB LEU B 58 145.297 7.776 -10.785 1.00 0.41 C ATOM 2306 CG LEU B 58 144.654 7.944 -12.172 1.00 0.47 C ATOM 2307 CD1 LEU B 58 143.232 7.371 -12.139 1.00 0.45 C ATOM 2308 CD2 LEU B 58 144.599 9.435 -12.559 1.00 0.55 C ATOM 0 H LEU B 58 147.061 6.456 -12.046 1.00 0.40 H new ATOM 0 HA LEU B 58 146.826 9.211 -11.209 1.00 0.40 H new ATOM 0 HB2 LEU B 58 145.214 6.738 -10.461 1.00 0.41 H new ATOM 0 HB3 LEU B 58 144.763 8.382 -10.053 1.00 0.41 H new ATOM 0 HG LEU B 58 145.253 7.412 -12.911 1.00 0.47 H new ATOM 0 HD11 LEU B 58 142.770 7.487 -13.120 1.00 0.45 H new ATOM 0 HD12 LEU B 58 143.272 6.313 -11.879 1.00 0.45 H new ATOM 0 HD13 LEU B 58 142.642 7.905 -11.394 1.00 0.45 H new ATOM 0 HD21 LEU B 58 144.142 9.539 -13.543 1.00 0.55 H new ATOM 0 HD22 LEU B 58 144.007 9.980 -11.824 1.00 0.55 H new ATOM 0 HD23 LEU B 58 145.610 9.842 -12.584 1.00 0.55 H new ATOM 2320 N PHE B 59 147.763 6.950 -8.998 1.00 0.37 N ATOM 2321 CA PHE B 59 148.373 6.811 -7.644 1.00 0.35 C ATOM 2322 C PHE B 59 149.681 7.600 -7.575 1.00 0.36 C ATOM 2323 O PHE B 59 149.914 8.360 -6.657 1.00 0.35 O ATOM 2324 CB PHE B 59 148.656 5.334 -7.366 1.00 0.35 C ATOM 2325 CG PHE B 59 149.273 5.188 -5.997 1.00 0.34 C ATOM 2326 CD1 PHE B 59 148.453 4.998 -4.880 1.00 0.35 C ATOM 2327 CD2 PHE B 59 150.664 5.236 -5.845 1.00 0.37 C ATOM 2328 CE1 PHE B 59 149.022 4.858 -3.609 1.00 0.37 C ATOM 2329 CE2 PHE B 59 151.233 5.096 -4.572 1.00 0.38 C ATOM 2330 CZ PHE B 59 150.412 4.908 -3.455 1.00 0.37 C ATOM 0 H PHE B 59 147.692 6.084 -9.532 1.00 0.37 H new ATOM 0 HA PHE B 59 147.681 7.202 -6.898 1.00 0.35 H new ATOM 0 HB2 PHE B 59 147.732 4.759 -7.423 1.00 0.35 H new ATOM 0 HB3 PHE B 59 149.329 4.933 -8.124 1.00 0.35 H new ATOM 0 HD1 PHE B 59 147.380 4.959 -4.998 1.00 0.35 H new ATOM 0 HD2 PHE B 59 151.298 5.381 -6.708 1.00 0.37 H new ATOM 0 HE1 PHE B 59 148.388 4.711 -2.747 1.00 0.37 H new ATOM 0 HE2 PHE B 59 152.306 5.133 -4.453 1.00 0.38 H new ATOM 0 HZ PHE B 59 150.851 4.801 -2.474 1.00 0.37 H new ATOM 2340 N ARG B 60 150.550 7.404 -8.533 1.00 0.38 N ATOM 2341 CA ARG B 60 151.855 8.122 -8.513 1.00 0.39 C ATOM 2342 C ARG B 60 151.635 9.633 -8.543 1.00 0.40 C ATOM 2343 O ARG B 60 152.235 10.368 -7.784 1.00 0.39 O ATOM 2344 CB ARG B 60 152.687 7.703 -9.728 1.00 0.43 C ATOM 2345 CG ARG B 60 153.149 6.252 -9.562 1.00 0.44 C ATOM 2346 CD ARG B 60 153.914 5.812 -10.813 1.00 0.51 C ATOM 2347 NE ARG B 60 155.198 6.564 -10.903 1.00 1.31 N ATOM 2348 CZ ARG B 60 156.133 6.162 -11.719 1.00 1.54 C ATOM 2349 NH1 ARG B 60 155.940 5.108 -12.464 1.00 1.15 N ATOM 2350 NH2 ARG B 60 157.261 6.815 -11.793 1.00 2.64 N ATOM 0 H ARG B 60 150.411 6.778 -9.326 1.00 0.38 H new ATOM 0 HA ARG B 60 152.384 7.863 -7.596 1.00 0.39 H new ATOM 0 HB2 ARG B 60 152.096 7.805 -10.638 1.00 0.43 H new ATOM 0 HB3 ARG B 60 153.550 8.360 -9.834 1.00 0.43 H new ATOM 0 HG2 ARG B 60 153.786 6.161 -8.682 1.00 0.44 H new ATOM 0 HG3 ARG B 60 152.289 5.602 -9.401 1.00 0.44 H new ATOM 0 HD2 ARG B 60 154.110 4.741 -10.774 1.00 0.51 H new ATOM 0 HD3 ARG B 60 153.311 5.993 -11.703 1.00 0.51 H new ATOM 0 HE ARG B 60 155.345 7.393 -10.327 1.00 1.31 H new ATOM 0 HH11 ARG B 60 155.058 4.599 -12.408 1.00 1.15 H new ATOM 0 HH12 ARG B 60 156.671 4.794 -13.102 1.00 1.15 H new ATOM 0 HH21 ARG B 60 157.412 7.640 -11.213 1.00 2.64 H new ATOM 0 HH22 ARG B 60 157.992 6.500 -12.431 1.00 2.64 H new ATOM 2364 N GLU B 61 150.781 10.113 -9.406 1.00 0.42 N ATOM 2365 CA GLU B 61 150.536 11.577 -9.464 1.00 0.44 C ATOM 2366 C GLU B 61 149.876 12.027 -8.158 1.00 0.42 C ATOM 2367 O GLU B 61 150.168 13.086 -7.638 1.00 0.43 O ATOM 2368 CB GLU B 61 149.626 11.889 -10.656 1.00 0.48 C ATOM 2369 CG GLU B 61 149.381 13.398 -10.748 1.00 1.30 C ATOM 2370 CD GLU B 61 148.474 13.690 -11.945 1.00 1.77 C ATOM 2371 OE1 GLU B 61 148.248 12.782 -12.727 1.00 2.38 O ATOM 2372 OE2 GLU B 61 148.025 14.818 -12.060 1.00 2.33 O ATOM 0 H GLU B 61 150.245 9.554 -10.070 1.00 0.42 H new ATOM 0 HA GLU B 61 151.478 12.111 -9.589 1.00 0.44 H new ATOM 0 HB2 GLU B 61 150.084 11.530 -11.578 1.00 0.48 H new ATOM 0 HB3 GLU B 61 148.677 11.364 -10.546 1.00 0.48 H new ATOM 0 HG2 GLU B 61 148.919 13.760 -9.830 1.00 1.30 H new ATOM 0 HG3 GLU B 61 150.328 13.926 -10.857 1.00 1.30 H new ATOM 2379 N TRP B 62 148.990 11.237 -7.620 1.00 0.40 N ATOM 2380 CA TRP B 62 148.319 11.630 -6.346 1.00 0.39 C ATOM 2381 C TRP B 62 149.319 11.675 -5.189 1.00 0.36 C ATOM 2382 O TRP B 62 149.358 12.621 -4.427 1.00 0.36 O ATOM 2383 CB TRP B 62 147.217 10.617 -6.006 1.00 0.38 C ATOM 2384 CG TRP B 62 146.717 10.873 -4.615 1.00 0.36 C ATOM 2385 CD1 TRP B 62 145.778 11.784 -4.280 1.00 0.39 C ATOM 2386 CD2 TRP B 62 147.139 10.240 -3.371 1.00 0.34 C ATOM 2387 NE1 TRP B 62 145.590 11.749 -2.908 1.00 0.37 N ATOM 2388 CE2 TRP B 62 146.407 10.812 -2.303 1.00 0.34 C ATOM 2389 CE3 TRP B 62 148.074 9.231 -3.070 1.00 0.32 C ATOM 2390 CZ2 TRP B 62 146.598 10.396 -0.982 1.00 0.34 C ATOM 2391 CZ3 TRP B 62 148.264 8.812 -1.744 1.00 0.31 C ATOM 2392 CH2 TRP B 62 147.529 9.393 -0.703 1.00 0.32 C ATOM 0 H TRP B 62 148.701 10.338 -8.005 1.00 0.40 H new ATOM 0 HA TRP B 62 147.891 12.623 -6.484 1.00 0.39 H new ATOM 0 HB2 TRP B 62 146.398 10.701 -6.720 1.00 0.38 H new ATOM 0 HB3 TRP B 62 147.605 9.601 -6.084 1.00 0.38 H new ATOM 0 HD1 TRP B 62 145.259 12.434 -4.969 1.00 0.39 H new ATOM 0 HE1 TRP B 62 144.930 12.342 -2.406 1.00 0.37 H new ATOM 0 HE3 TRP B 62 148.648 8.777 -3.864 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 146.029 10.847 -0.182 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 148.982 8.036 -1.525 1.00 0.31 H new ATOM 0 HH2 TRP B 62 147.682 9.066 0.315 1.00 0.32 H new ATOM 2403 N LEU B 63 150.113 10.659 -5.040 1.00 0.34 N ATOM 2404 CA LEU B 63 151.089 10.643 -3.919 1.00 0.32 C ATOM 2405 C LEU B 63 152.120 11.746 -4.138 1.00 0.33 C ATOM 2406 O LEU B 63 152.433 12.507 -3.245 1.00 0.32 O ATOM 2407 CB LEU B 63 151.774 9.273 -3.872 1.00 0.31 C ATOM 2408 CG LEU B 63 152.792 9.213 -2.726 1.00 0.30 C ATOM 2409 CD1 LEU B 63 152.087 9.398 -1.371 1.00 0.30 C ATOM 2410 CD2 LEU B 63 153.494 7.851 -2.758 1.00 0.32 C ATOM 0 H LEU B 63 150.130 9.838 -5.645 1.00 0.34 H new ATOM 0 HA LEU B 63 150.580 10.818 -2.971 1.00 0.32 H new ATOM 0 HB2 LEU B 63 151.026 8.491 -3.741 1.00 0.31 H new ATOM 0 HB3 LEU B 63 152.275 9.079 -4.820 1.00 0.31 H new ATOM 0 HG LEU B 63 153.521 10.014 -2.850 1.00 0.30 H new ATOM 0 HD11 LEU B 63 152.823 9.353 -0.569 1.00 0.30 H new ATOM 0 HD12 LEU B 63 151.587 10.366 -1.350 1.00 0.30 H new ATOM 0 HD13 LEU B 63 151.351 8.606 -1.233 1.00 0.30 H new ATOM 0 HD21 LEU B 63 154.220 7.797 -1.947 1.00 0.32 H new ATOM 0 HD22 LEU B 63 152.756 7.058 -2.637 1.00 0.32 H new ATOM 0 HD23 LEU B 63 154.006 7.728 -3.712 1.00 0.32 H new ATOM 2422 N LYS B 64 152.640 11.847 -5.327 1.00 0.35 N ATOM 2423 CA LYS B 64 153.637 12.909 -5.618 1.00 0.37 C ATOM 2424 C LYS B 64 152.978 14.276 -5.442 1.00 0.38 C ATOM 2425 O LYS B 64 153.524 15.175 -4.833 1.00 0.38 O ATOM 2426 CB LYS B 64 154.147 12.754 -7.053 1.00 0.41 C ATOM 2427 CG LYS B 64 155.181 13.841 -7.351 1.00 0.43 C ATOM 2428 CD LYS B 64 155.758 13.624 -8.749 1.00 0.68 C ATOM 2429 CE LYS B 64 156.813 14.694 -9.038 1.00 1.24 C ATOM 2430 NZ LYS B 64 157.254 14.588 -10.458 1.00 2.10 N ATOM 0 H LYS B 64 152.416 11.237 -6.113 1.00 0.35 H new ATOM 0 HA LYS B 64 154.480 12.823 -4.932 1.00 0.37 H new ATOM 0 HB2 LYS B 64 154.592 11.768 -7.187 1.00 0.41 H new ATOM 0 HB3 LYS B 64 153.316 12.826 -7.755 1.00 0.41 H new ATOM 0 HG2 LYS B 64 154.719 14.826 -7.285 1.00 0.43 H new ATOM 0 HG3 LYS B 64 155.978 13.813 -6.608 1.00 0.43 H new ATOM 0 HD2 LYS B 64 156.203 12.631 -8.820 1.00 0.68 H new ATOM 0 HD3 LYS B 64 154.963 13.672 -9.493 1.00 0.68 H new ATOM 0 HE2 LYS B 64 156.402 15.685 -8.847 1.00 1.24 H new ATOM 0 HE3 LYS B 64 157.666 14.568 -8.371 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 157.971 15.315 -10.654 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 157.662 13.646 -10.626 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 156.437 14.729 -11.087 1.00 2.10 H new ATOM 2444 N ASP B 65 151.797 14.429 -5.976 1.00 0.41 N ATOM 2445 CA ASP B 65 151.072 15.724 -5.856 1.00 0.44 C ATOM 2446 C ASP B 65 150.629 15.938 -4.410 1.00 0.43 C ATOM 2447 O ASP B 65 150.518 17.054 -3.942 1.00 0.45 O ATOM 2448 CB ASP B 65 149.841 15.706 -6.764 1.00 0.48 C ATOM 2449 CG ASP B 65 149.114 17.047 -6.663 1.00 1.17 C ATOM 2450 OD1 ASP B 65 148.536 17.309 -5.621 1.00 1.90 O ATOM 2451 OD2 ASP B 65 149.145 17.791 -7.631 1.00 1.41 O ATOM 0 H ASP B 65 151.300 13.705 -6.495 1.00 0.41 H new ATOM 0 HA ASP B 65 151.737 16.535 -6.154 1.00 0.44 H new ATOM 0 HB2 ASP B 65 150.139 15.519 -7.795 1.00 0.48 H new ATOM 0 HB3 ASP B 65 149.173 14.895 -6.473 1.00 0.48 H new ATOM 2456 N THR B 66 150.333 14.877 -3.708 1.00 0.39 N ATOM 2457 CA THR B 66 149.849 15.017 -2.306 1.00 0.39 C ATOM 2458 C THR B 66 151.008 15.244 -1.333 1.00 0.38 C ATOM 2459 O THR B 66 150.823 15.884 -0.316 1.00 0.40 O ATOM 2460 CB THR B 66 149.089 13.751 -1.901 1.00 0.37 C ATOM 2461 OG1 THR B 66 147.980 13.569 -2.772 1.00 0.37 O ATOM 2462 CG2 THR B 66 148.588 13.891 -0.463 1.00 0.38 C ATOM 0 H THR B 66 150.406 13.918 -4.047 1.00 0.39 H new ATOM 0 HA THR B 66 149.191 15.885 -2.260 1.00 0.39 H new ATOM 0 HB THR B 66 149.754 12.890 -1.970 1.00 0.37 H new ATOM 0 HG1 THR B 66 148.302 13.326 -3.665 1.00 0.37 H new ATOM 0 HG21 THR B 66 148.047 12.989 -0.177 1.00 0.38 H new ATOM 0 HG22 THR B 66 149.437 14.033 0.206 1.00 0.38 H new ATOM 0 HG23 THR B 66 147.922 14.751 -0.392 1.00 0.38 H new ATOM 2470 N CYS B 67 152.186 14.709 -1.581 1.00 0.36 N ATOM 2471 CA CYS B 67 153.313 14.891 -0.604 1.00 0.37 C ATOM 2472 C CYS B 67 154.610 15.316 -1.297 1.00 0.37 C ATOM 2473 O CYS B 67 155.466 15.932 -0.695 1.00 0.39 O ATOM 2474 CB CYS B 67 153.552 13.565 0.118 1.00 0.36 C ATOM 2475 SG CYS B 67 154.120 12.325 -1.072 1.00 0.36 S ATOM 0 H CYS B 67 152.414 14.160 -2.410 1.00 0.36 H new ATOM 0 HA CYS B 67 153.032 15.679 0.095 1.00 0.37 H new ATOM 0 HB2 CYS B 67 154.294 13.696 0.905 1.00 0.36 H new ATOM 0 HB3 CYS B 67 152.633 13.229 0.599 1.00 0.36 H new ATOM 0 HG CYS B 67 153.362 12.357 -2.127 1.00 0.36 H new ATOM 2481 N GLY B 68 154.771 14.986 -2.554 1.00 0.35 N ATOM 2482 CA GLY B 68 156.024 15.363 -3.285 1.00 0.36 C ATOM 2483 C GLY B 68 156.927 14.133 -3.416 1.00 0.34 C ATOM 2484 O GLY B 68 158.086 14.241 -3.760 1.00 0.33 O ATOM 0 H GLY B 68 154.088 14.470 -3.109 1.00 0.35 H new ATOM 0 HA2 GLY B 68 155.778 15.754 -4.272 1.00 0.36 H new ATOM 0 HA3 GLY B 68 156.546 16.156 -2.749 1.00 0.36 H new ATOM 2488 N ALA B 69 156.411 12.961 -3.147 1.00 0.32 N ATOM 2489 CA ALA B 69 157.251 11.734 -3.265 1.00 0.31 C ATOM 2490 C ALA B 69 157.943 11.727 -4.630 1.00 0.31 C ATOM 2491 O ALA B 69 157.467 12.316 -5.579 1.00 0.32 O ATOM 2492 CB ALA B 69 156.367 10.493 -3.133 1.00 0.31 C ATOM 0 H ALA B 69 155.448 12.802 -2.852 1.00 0.32 H new ATOM 0 HA ALA B 69 158.001 11.727 -2.474 1.00 0.31 H new ATOM 0 HB1 ALA B 69 156.982 9.597 -3.219 1.00 0.31 H new ATOM 0 HB2 ALA B 69 155.872 10.501 -2.162 1.00 0.31 H new ATOM 0 HB3 ALA B 69 155.616 10.495 -3.923 1.00 0.31 H new ATOM 2498 N ASN B 70 159.075 11.081 -4.736 1.00 0.29 N ATOM 2499 CA ASN B 70 159.806 11.056 -6.040 1.00 0.29 C ATOM 2500 C ASN B 70 159.389 9.832 -6.859 1.00 0.29 C ATOM 2501 O ASN B 70 158.641 8.988 -6.407 1.00 0.29 O ATOM 2502 CB ASN B 70 161.312 10.995 -5.773 1.00 0.29 C ATOM 2503 CG ASN B 70 161.758 12.275 -5.064 1.00 1.07 C ATOM 2504 OD1 ASN B 70 162.242 12.230 -3.950 1.00 1.91 O ATOM 2505 ND2 ASN B 70 161.621 13.424 -5.668 1.00 1.78 N ATOM 0 H ASN B 70 159.525 10.570 -3.977 1.00 0.29 H new ATOM 0 HA ASN B 70 159.562 11.958 -6.601 1.00 0.29 H new ATOM 0 HB2 ASN B 70 161.548 10.126 -5.159 1.00 0.29 H new ATOM 0 HB3 ASN B 70 161.854 10.879 -6.712 1.00 0.29 H new ATOM 0 HD21 ASN B 70 161.920 14.282 -5.205 1.00 1.78 H new ATOM 0 HD22 ASN B 70 161.215 13.464 -6.603 1.00 1.78 H new ATOM 2512 N ALA B 71 159.864 9.748 -8.071 1.00 0.31 N ATOM 2513 CA ALA B 71 159.507 8.601 -8.956 1.00 0.33 C ATOM 2514 C ALA B 71 159.945 7.272 -8.333 1.00 0.31 C ATOM 2515 O ALA B 71 159.269 6.271 -8.460 1.00 0.31 O ATOM 2516 CB ALA B 71 160.202 8.772 -10.306 1.00 0.38 C ATOM 0 H ALA B 71 160.492 10.433 -8.492 1.00 0.31 H new ATOM 0 HA ALA B 71 158.425 8.587 -9.084 1.00 0.33 H new ATOM 0 HB1 ALA B 71 159.944 7.936 -10.956 1.00 0.38 H new ATOM 0 HB2 ALA B 71 159.877 9.704 -10.767 1.00 0.38 H new ATOM 0 HB3 ALA B 71 161.282 8.798 -10.159 1.00 0.38 H new ATOM 2522 N LYS B 72 161.070 7.242 -7.672 1.00 0.29 N ATOM 2523 CA LYS B 72 161.524 5.957 -7.068 1.00 0.28 C ATOM 2524 C LYS B 72 160.697 5.655 -5.815 1.00 0.26 C ATOM 2525 O LYS B 72 160.359 4.520 -5.542 1.00 0.26 O ATOM 2526 CB LYS B 72 163.012 6.037 -6.717 1.00 0.28 C ATOM 2527 CG LYS B 72 163.248 7.153 -5.704 1.00 1.18 C ATOM 2528 CD LYS B 72 164.750 7.308 -5.462 1.00 1.28 C ATOM 2529 CE LYS B 72 164.986 8.357 -4.376 1.00 2.10 C ATOM 2530 NZ LYS B 72 164.364 7.899 -3.104 1.00 2.57 N ATOM 0 H LYS B 72 161.688 8.040 -7.525 1.00 0.29 H new ATOM 0 HA LYS B 72 161.381 5.152 -7.789 1.00 0.28 H new ATOM 0 HB2 LYS B 72 163.349 5.085 -6.307 1.00 0.28 H new ATOM 0 HB3 LYS B 72 163.597 6.222 -7.618 1.00 0.28 H new ATOM 0 HG2 LYS B 72 162.829 8.089 -6.073 1.00 1.18 H new ATOM 0 HG3 LYS B 72 162.739 6.923 -4.768 1.00 1.18 H new ATOM 0 HD2 LYS B 72 165.181 6.353 -5.160 1.00 1.28 H new ATOM 0 HD3 LYS B 72 165.249 7.605 -6.384 1.00 1.28 H new ATOM 0 HE2 LYS B 72 166.055 8.516 -4.234 1.00 2.10 H new ATOM 0 HE3 LYS B 72 164.559 9.313 -4.679 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 164.779 8.422 -2.307 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 163.339 8.073 -3.136 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 164.538 6.881 -2.979 1.00 2.57 H new ATOM 2544 N GLN B 73 160.378 6.662 -5.044 1.00 0.25 N ATOM 2545 CA GLN B 73 159.585 6.439 -3.801 1.00 0.24 C ATOM 2546 C GLN B 73 158.172 5.983 -4.158 1.00 0.25 C ATOM 2547 O GLN B 73 157.594 5.145 -3.495 1.00 0.25 O ATOM 2548 CB GLN B 73 159.500 7.742 -2.996 1.00 0.26 C ATOM 2549 CG GLN B 73 160.887 8.145 -2.483 1.00 0.28 C ATOM 2550 CD GLN B 73 161.418 7.081 -1.519 1.00 1.25 C ATOM 2551 OE1 GLN B 73 160.893 6.909 -0.437 1.00 2.12 O ATOM 2552 NE2 GLN B 73 162.442 6.353 -1.870 1.00 1.89 N ATOM 0 H GLN B 73 160.634 7.633 -5.224 1.00 0.25 H new ATOM 0 HA GLN B 73 160.078 5.670 -3.206 1.00 0.24 H new ATOM 0 HB2 GLN B 73 159.091 8.537 -3.620 1.00 0.26 H new ATOM 0 HB3 GLN B 73 158.818 7.614 -2.156 1.00 0.26 H new ATOM 0 HG2 GLN B 73 161.574 8.263 -3.321 1.00 0.28 H new ATOM 0 HG3 GLN B 73 160.831 9.109 -1.978 1.00 0.28 H new ATOM 0 HE21 GLN B 73 162.883 6.497 -2.778 1.00 1.89 H new ATOM 0 HE22 GLN B 73 162.802 5.639 -1.236 1.00 1.89 H new ATOM 2561 N SER B 74 157.606 6.539 -5.192 1.00 0.26 N ATOM 2562 CA SER B 74 156.226 6.150 -5.582 1.00 0.27 C ATOM 2563 C SER B 74 156.212 4.703 -6.072 1.00 0.26 C ATOM 2564 O SER B 74 155.280 3.964 -5.822 1.00 0.26 O ATOM 2565 CB SER B 74 155.743 7.068 -6.705 1.00 0.30 C ATOM 2566 OG SER B 74 156.239 6.587 -7.949 1.00 1.36 O ATOM 0 H SER B 74 158.041 7.247 -5.784 1.00 0.26 H new ATOM 0 HA SER B 74 155.568 6.242 -4.718 1.00 0.27 H new ATOM 0 HB2 SER B 74 154.654 7.099 -6.722 1.00 0.30 H new ATOM 0 HB3 SER B 74 156.089 8.087 -6.532 1.00 0.30 H new ATOM 0 HG SER B 74 157.219 6.573 -7.927 1.00 1.36 H new ATOM 2572 N ARG B 75 157.232 4.290 -6.778 1.00 0.27 N ATOM 2573 CA ARG B 75 157.272 2.894 -7.294 1.00 0.27 C ATOM 2574 C ARG B 75 157.228 1.913 -6.123 1.00 0.26 C ATOM 2575 O ARG B 75 156.616 0.866 -6.211 1.00 0.26 O ATOM 2576 CB ARG B 75 158.565 2.680 -8.096 1.00 0.29 C ATOM 2577 CG ARG B 75 158.524 3.473 -9.414 1.00 0.32 C ATOM 2578 CD ARG B 75 157.751 2.702 -10.493 1.00 0.61 C ATOM 2579 NE ARG B 75 158.577 1.564 -10.982 1.00 1.35 N ATOM 2580 CZ ARG B 75 158.020 0.610 -11.677 1.00 1.82 C ATOM 2581 NH1 ARG B 75 156.739 0.645 -11.925 1.00 1.89 N ATOM 2582 NH2 ARG B 75 158.744 -0.380 -12.122 1.00 2.81 N ATOM 0 H ARG B 75 158.041 4.863 -7.019 1.00 0.27 H new ATOM 0 HA ARG B 75 156.412 2.723 -7.941 1.00 0.27 H new ATOM 0 HB2 ARG B 75 159.423 2.995 -7.503 1.00 0.29 H new ATOM 0 HB3 ARG B 75 158.696 1.619 -8.308 1.00 0.29 H new ATOM 0 HG2 ARG B 75 158.053 4.442 -9.246 1.00 0.32 H new ATOM 0 HG3 ARG B 75 159.540 3.668 -9.758 1.00 0.32 H new ATOM 0 HD2 ARG B 75 156.810 2.333 -10.086 1.00 0.61 H new ATOM 0 HD3 ARG B 75 157.502 3.366 -11.321 1.00 0.61 H new ATOM 0 HE ARG B 75 159.575 1.530 -10.775 1.00 1.35 H new ATOM 0 HH11 ARG B 75 156.173 1.418 -11.576 1.00 1.89 H new ATOM 0 HH12 ARG B 75 156.304 -0.101 -12.468 1.00 1.89 H new ATOM 0 HH21 ARG B 75 159.745 -0.408 -11.927 1.00 2.81 H new ATOM 0 HH22 ARG B 75 158.309 -1.126 -12.665 1.00 2.81 H new ATOM 2596 N ASP B 76 157.886 2.209 -5.035 1.00 0.24 N ATOM 2597 CA ASP B 76 157.902 1.270 -3.881 1.00 0.24 C ATOM 2598 C ASP B 76 156.516 1.170 -3.246 1.00 0.22 C ATOM 2599 O ASP B 76 156.082 0.103 -2.863 1.00 0.22 O ATOM 2600 CB ASP B 76 158.900 1.772 -2.837 1.00 0.23 C ATOM 2601 CG ASP B 76 160.325 1.611 -3.369 1.00 0.25 C ATOM 2602 OD1 ASP B 76 160.511 0.822 -4.280 1.00 0.40 O ATOM 2603 OD2 ASP B 76 161.207 2.279 -2.854 1.00 0.39 O ATOM 0 H ASP B 76 158.417 3.069 -4.897 1.00 0.24 H new ATOM 0 HA ASP B 76 158.195 0.283 -4.238 1.00 0.24 H new ATOM 0 HB2 ASP B 76 158.704 2.819 -2.606 1.00 0.23 H new ATOM 0 HB3 ASP B 76 158.782 1.213 -1.909 1.00 0.23 H new ATOM 2608 N CYS B 77 155.810 2.260 -3.128 1.00 0.22 N ATOM 2609 CA CYS B 77 154.456 2.193 -2.514 1.00 0.21 C ATOM 2610 C CYS B 77 153.494 1.450 -3.443 1.00 0.22 C ATOM 2611 O CYS B 77 152.660 0.691 -2.994 1.00 0.21 O ATOM 2612 CB CYS B 77 153.938 3.613 -2.277 1.00 0.22 C ATOM 2613 SG CYS B 77 154.886 4.390 -0.946 1.00 0.23 S ATOM 0 H CYS B 77 156.110 3.188 -3.428 1.00 0.22 H new ATOM 0 HA CYS B 77 154.519 1.659 -1.566 1.00 0.21 H new ATOM 0 HB2 CYS B 77 154.026 4.200 -3.191 1.00 0.22 H new ATOM 0 HB3 CYS B 77 152.880 3.586 -2.016 1.00 0.22 H new ATOM 0 HG CYS B 77 155.402 3.470 -0.187 1.00 0.23 H new ATOM 2619 N PHE B 78 153.570 1.668 -4.728 1.00 0.23 N ATOM 2620 CA PHE B 78 152.616 0.970 -5.634 1.00 0.25 C ATOM 2621 C PHE B 78 152.766 -0.545 -5.494 1.00 0.24 C ATOM 2622 O PHE B 78 151.833 -1.242 -5.145 1.00 0.23 O ATOM 2623 CB PHE B 78 152.900 1.381 -7.081 1.00 0.28 C ATOM 2624 CG PHE B 78 151.999 0.607 -8.010 1.00 0.32 C ATOM 2625 CD1 PHE B 78 150.744 1.119 -8.358 1.00 0.36 C ATOM 2626 CD2 PHE B 78 152.423 -0.622 -8.528 1.00 0.38 C ATOM 2627 CE1 PHE B 78 149.911 0.400 -9.222 1.00 0.40 C ATOM 2628 CE2 PHE B 78 151.590 -1.341 -9.393 1.00 0.43 C ATOM 2629 CZ PHE B 78 150.333 -0.829 -9.740 1.00 0.42 C ATOM 0 H PHE B 78 154.240 2.288 -5.183 1.00 0.23 H new ATOM 0 HA PHE B 78 151.598 1.250 -5.364 1.00 0.25 H new ATOM 0 HB2 PHE B 78 152.735 2.451 -7.205 1.00 0.28 H new ATOM 0 HB3 PHE B 78 153.944 1.189 -7.326 1.00 0.28 H new ATOM 0 HD1 PHE B 78 150.419 2.069 -7.960 1.00 0.36 H new ATOM 0 HD2 PHE B 78 153.393 -1.015 -8.260 1.00 0.38 H new ATOM 0 HE1 PHE B 78 148.942 0.794 -9.489 1.00 0.40 H new ATOM 0 HE2 PHE B 78 151.916 -2.290 -9.793 1.00 0.43 H new ATOM 0 HZ PHE B 78 149.690 -1.383 -10.407 1.00 0.42 H new ATOM 2639 N GLY B 79 153.928 -1.064 -5.778 1.00 0.25 N ATOM 2640 CA GLY B 79 154.136 -2.536 -5.678 1.00 0.25 C ATOM 2641 C GLY B 79 153.918 -3.011 -4.239 1.00 0.23 C ATOM 2642 O GLY B 79 153.465 -4.111 -4.001 1.00 0.24 O ATOM 0 H GLY B 79 154.745 -0.531 -6.076 1.00 0.25 H new ATOM 0 HA2 GLY B 79 153.447 -3.053 -6.346 1.00 0.25 H new ATOM 0 HA3 GLY B 79 155.145 -2.790 -6.002 1.00 0.25 H new ATOM 2646 N CYS B 80 154.237 -2.195 -3.279 1.00 0.22 N ATOM 2647 CA CYS B 80 154.043 -2.617 -1.864 1.00 0.21 C ATOM 2648 C CYS B 80 152.548 -2.670 -1.537 1.00 0.21 C ATOM 2649 O CYS B 80 152.060 -3.639 -0.988 1.00 0.22 O ATOM 2650 CB CYS B 80 154.733 -1.622 -0.931 1.00 0.22 C ATOM 2651 SG CYS B 80 154.587 -2.200 0.778 1.00 0.24 S ATOM 0 H CYS B 80 154.622 -1.259 -3.409 1.00 0.22 H new ATOM 0 HA CYS B 80 154.477 -3.607 -1.725 1.00 0.21 H new ATOM 0 HB2 CYS B 80 155.783 -1.519 -1.203 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.279 -0.636 -1.033 1.00 0.22 H new ATOM 0 HG CYS B 80 154.354 -1.188 1.560 1.00 0.24 H new ATOM 2657 N LEU B 81 151.811 -1.650 -1.883 1.00 0.21 N ATOM 2658 CA LEU B 81 150.348 -1.683 -1.598 1.00 0.21 C ATOM 2659 C LEU B 81 149.682 -2.714 -2.516 1.00 0.21 C ATOM 2660 O LEU B 81 148.794 -3.438 -2.111 1.00 0.22 O ATOM 2661 CB LEU B 81 149.754 -0.297 -1.872 1.00 0.22 C ATOM 2662 CG LEU B 81 150.403 0.746 -0.952 1.00 0.24 C ATOM 2663 CD1 LEU B 81 150.036 2.148 -1.445 1.00 0.29 C ATOM 2664 CD2 LEU B 81 149.913 0.569 0.494 1.00 0.28 C ATOM 0 H LEU B 81 152.152 -0.806 -2.344 1.00 0.21 H new ATOM 0 HA LEU B 81 150.177 -1.956 -0.557 1.00 0.21 H new ATOM 0 HB2 LEU B 81 149.915 -0.024 -2.915 1.00 0.22 H new ATOM 0 HB3 LEU B 81 148.676 -0.316 -1.710 1.00 0.22 H new ATOM 0 HG LEU B 81 151.485 0.613 -0.973 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.494 2.894 -0.795 1.00 0.29 H new ATOM 0 HD12 LEU B 81 150.399 2.282 -2.464 1.00 0.29 H new ATOM 0 HD13 LEU B 81 148.953 2.268 -1.427 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.384 1.317 1.132 1.00 0.28 H new ATOM 0 HD22 LEU B 81 148.830 0.692 0.529 1.00 0.28 H new ATOM 0 HD23 LEU B 81 150.177 -0.428 0.848 1.00 0.28 H new ATOM 2676 N ARG B 82 150.097 -2.777 -3.754 1.00 0.22 N ATOM 2677 CA ARG B 82 149.481 -3.752 -4.700 1.00 0.24 C ATOM 2678 C ARG B 82 149.749 -5.183 -4.236 1.00 0.25 C ATOM 2679 O ARG B 82 148.896 -6.043 -4.323 1.00 0.26 O ATOM 2680 CB ARG B 82 150.054 -3.561 -6.103 1.00 0.28 C ATOM 2681 CG ARG B 82 149.237 -4.401 -7.088 1.00 0.32 C ATOM 2682 CD ARG B 82 149.795 -4.223 -8.501 1.00 0.85 C ATOM 2683 NE ARG B 82 148.860 -4.843 -9.499 1.00 1.42 N ATOM 2684 CZ ARG B 82 148.521 -6.103 -9.435 1.00 1.96 C ATOM 2685 NH1 ARG B 82 149.127 -6.913 -8.610 1.00 2.26 N ATOM 2686 NH2 ARG B 82 147.607 -6.569 -10.241 1.00 2.74 N ATOM 0 H ARG B 82 150.835 -2.196 -4.150 1.00 0.22 H new ATOM 0 HA ARG B 82 148.406 -3.576 -4.722 1.00 0.24 H new ATOM 0 HB2 ARG B 82 150.019 -2.509 -6.385 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.101 -3.863 -6.127 1.00 0.28 H new ATOM 0 HG2 ARG B 82 149.273 -5.452 -6.802 1.00 0.32 H new ATOM 0 HG3 ARG B 82 148.190 -4.098 -7.059 1.00 0.32 H new ATOM 0 HD2 ARG B 82 149.924 -3.163 -8.720 1.00 0.85 H new ATOM 0 HD3 ARG B 82 150.779 -4.686 -8.574 1.00 0.85 H new ATOM 0 HE ARG B 82 148.479 -4.264 -10.248 1.00 1.42 H new ATOM 0 HH11 ARG B 82 149.873 -6.564 -8.008 1.00 2.26 H new ATOM 0 HH12 ARG B 82 148.855 -7.895 -8.568 1.00 2.26 H new ATOM 0 HH21 ARG B 82 147.160 -5.950 -10.918 1.00 2.74 H new ATOM 0 HH22 ARG B 82 147.339 -7.552 -10.194 1.00 2.74 H new ATOM 2700 N GLU B 83 150.930 -5.451 -3.752 1.00 0.25 N ATOM 2701 CA GLU B 83 151.252 -6.832 -3.295 1.00 0.27 C ATOM 2702 C GLU B 83 150.465 -7.166 -2.030 1.00 0.27 C ATOM 2703 O GLU B 83 149.987 -8.273 -1.876 1.00 0.28 O ATOM 2704 CB GLU B 83 152.755 -6.952 -3.020 1.00 0.29 C ATOM 2705 CG GLU B 83 153.519 -7.003 -4.346 1.00 0.33 C ATOM 2706 CD GLU B 83 153.255 -8.343 -5.037 1.00 1.20 C ATOM 2707 OE1 GLU B 83 152.841 -9.266 -4.355 1.00 1.91 O ATOM 2708 OE2 GLU B 83 153.473 -8.424 -6.235 1.00 1.57 O ATOM 0 H GLU B 83 151.686 -4.774 -3.653 1.00 0.25 H new ATOM 0 HA GLU B 83 150.974 -7.536 -4.079 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.095 -6.104 -2.426 1.00 0.29 H new ATOM 0 HB3 GLU B 83 152.957 -7.851 -2.438 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.205 -6.182 -4.990 1.00 0.33 H new ATOM 0 HG3 GLU B 83 154.587 -6.878 -4.167 1.00 0.33 H new ATOM 2715 N TRP B 84 150.290 -6.236 -1.126 1.00 0.25 N ATOM 2716 CA TRP B 84 149.499 -6.553 0.093 1.00 0.25 C ATOM 2717 C TRP B 84 148.097 -6.958 -0.351 1.00 0.26 C ATOM 2718 O TRP B 84 147.535 -7.929 0.114 1.00 0.28 O ATOM 2719 CB TRP B 84 149.404 -5.325 0.999 1.00 0.25 C ATOM 2720 CG TRP B 84 148.684 -5.711 2.251 1.00 0.27 C ATOM 2721 CD1 TRP B 84 149.285 -6.157 3.378 1.00 0.30 C ATOM 2722 CD2 TRP B 84 147.251 -5.722 2.520 1.00 0.29 C ATOM 2723 NE1 TRP B 84 148.315 -6.434 4.323 1.00 0.32 N ATOM 2724 CE2 TRP B 84 147.046 -6.182 3.844 1.00 0.32 C ATOM 2725 CE3 TRP B 84 146.119 -5.377 1.757 1.00 0.31 C ATOM 2726 CZ2 TRP B 84 145.769 -6.301 4.390 1.00 0.35 C ATOM 2727 CZ3 TRP B 84 144.828 -5.495 2.305 1.00 0.35 C ATOM 2728 CH2 TRP B 84 144.656 -5.957 3.620 1.00 0.36 C ATOM 0 H TRP B 84 150.656 -5.285 -1.180 1.00 0.25 H new ATOM 0 HA TRP B 84 149.981 -7.358 0.648 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.400 -4.951 1.235 1.00 0.25 H new ATOM 0 HB3 TRP B 84 148.874 -4.520 0.491 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.349 -6.277 3.517 1.00 0.30 H new ATOM 0 HE1 TRP B 84 148.513 -6.782 5.261 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.242 -5.020 0.745 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 145.641 -6.657 5.402 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 143.966 -5.229 1.712 1.00 0.35 H new ATOM 0 HH2 TRP B 84 143.663 -6.046 4.036 1.00 0.36 H new ATOM 2739 N CYS B 85 147.533 -6.207 -1.256 1.00 0.27 N ATOM 2740 CA CYS B 85 146.165 -6.523 -1.750 1.00 0.30 C ATOM 2741 C CYS B 85 146.164 -7.917 -2.376 1.00 0.33 C ATOM 2742 O CYS B 85 145.243 -8.690 -2.208 1.00 0.36 O ATOM 2743 CB CYS B 85 145.768 -5.485 -2.804 1.00 0.33 C ATOM 2744 SG CYS B 85 145.325 -3.932 -1.987 1.00 0.33 S ATOM 0 H CYS B 85 147.964 -5.384 -1.676 1.00 0.27 H new ATOM 0 HA CYS B 85 145.454 -6.499 -0.924 1.00 0.30 H new ATOM 0 HB2 CYS B 85 146.593 -5.321 -3.497 1.00 0.33 H new ATOM 0 HB3 CYS B 85 144.926 -5.852 -3.392 1.00 0.33 H new ATOM 0 HG CYS B 85 145.093 -3.020 -2.884 1.00 0.33 H new ATOM 2750 N ASP B 86 147.195 -8.240 -3.094 1.00 0.34 N ATOM 2751 CA ASP B 86 147.275 -9.579 -3.738 1.00 0.40 C ATOM 2752 C ASP B 86 147.227 -10.678 -2.673 1.00 0.41 C ATOM 2753 O ASP B 86 146.698 -11.749 -2.896 1.00 0.43 O ATOM 2754 CB ASP B 86 148.579 -9.683 -4.528 1.00 0.42 C ATOM 2755 CG ASP B 86 148.507 -8.768 -5.752 1.00 0.43 C ATOM 2756 OD1 ASP B 86 147.407 -8.385 -6.117 1.00 0.55 O ATOM 2757 OD2 ASP B 86 149.552 -8.469 -6.306 1.00 0.52 O ATOM 0 H ASP B 86 147.995 -7.631 -3.266 1.00 0.34 H new ATOM 0 HA ASP B 86 146.428 -9.705 -4.412 1.00 0.40 H new ATOM 0 HB2 ASP B 86 149.422 -9.400 -3.898 1.00 0.42 H new ATOM 0 HB3 ASP B 86 148.746 -10.714 -4.840 1.00 0.42 H new ATOM 2762 N ALA B 87 147.800 -10.432 -1.522 1.00 0.40 N ATOM 2763 CA ALA B 87 147.815 -11.474 -0.448 1.00 0.43 C ATOM 2764 C ALA B 87 146.609 -11.322 0.488 1.00 0.43 C ATOM 2765 O ALA B 87 146.071 -12.298 0.973 1.00 0.47 O ATOM 2766 CB ALA B 87 149.100 -11.329 0.370 1.00 0.40 C ATOM 0 H ALA B 87 148.259 -9.554 -1.279 1.00 0.40 H new ATOM 0 HA ALA B 87 147.767 -12.456 -0.919 1.00 0.43 H new ATOM 0 HB1 ALA B 87 149.119 -12.085 1.155 1.00 0.40 H new ATOM 0 HB2 ALA B 87 149.963 -11.462 -0.282 1.00 0.40 H new ATOM 0 HB3 ALA B 87 149.135 -10.337 0.821 1.00 0.40 H new ATOM 2772 N PHE B 88 146.202 -10.109 0.774 1.00 0.39 N ATOM 2773 CA PHE B 88 145.051 -9.886 1.715 1.00 0.44 C ATOM 2774 C PHE B 88 143.796 -9.435 0.967 1.00 0.54 C ATOM 2775 O PHE B 88 142.776 -9.168 1.572 1.00 1.24 O ATOM 2776 CB PHE B 88 145.429 -8.801 2.723 1.00 0.41 C ATOM 2777 CG PHE B 88 146.541 -9.290 3.616 1.00 0.38 C ATOM 2778 CD1 PHE B 88 146.236 -9.965 4.804 1.00 0.43 C ATOM 2779 CD2 PHE B 88 147.876 -9.062 3.264 1.00 0.35 C ATOM 2780 CE1 PHE B 88 147.264 -10.413 5.639 1.00 0.46 C ATOM 2781 CE2 PHE B 88 148.906 -9.509 4.101 1.00 0.39 C ATOM 2782 CZ PHE B 88 148.599 -10.184 5.288 1.00 0.44 C ATOM 0 H PHE B 88 146.617 -9.258 0.396 1.00 0.39 H new ATOM 0 HA PHE B 88 144.839 -10.830 2.217 1.00 0.44 H new ATOM 0 HB2 PHE B 88 145.743 -7.899 2.198 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.560 -8.533 3.324 1.00 0.41 H new ATOM 0 HD1 PHE B 88 145.205 -10.140 5.076 1.00 0.43 H new ATOM 0 HD2 PHE B 88 148.112 -8.542 2.347 1.00 0.35 H new ATOM 0 HE1 PHE B 88 147.028 -10.935 6.554 1.00 0.46 H new ATOM 0 HE2 PHE B 88 149.937 -9.333 3.831 1.00 0.39 H new ATOM 0 HZ PHE B 88 149.393 -10.528 5.934 1.00 0.44 H new ATOM 2792 N LEU B 89 143.855 -9.316 -0.331 1.00 0.39 N ATOM 2793 CA LEU B 89 142.657 -8.846 -1.094 1.00 0.36 C ATOM 2794 C LEU B 89 142.602 -9.576 -2.442 1.00 0.87 C ATOM 2795 O LEU B 89 143.421 -10.457 -2.647 1.00 1.43 O ATOM 2796 CB LEU B 89 142.802 -7.334 -1.322 1.00 0.74 C ATOM 2797 CG LEU B 89 141.437 -6.680 -1.628 1.00 0.47 C ATOM 2798 CD1 LEU B 89 140.681 -6.387 -0.323 1.00 1.00 C ATOM 2799 CD2 LEU B 89 141.659 -5.362 -2.395 1.00 1.27 C ATOM 2800 OXT LEU B 89 141.744 -9.245 -3.242 1.00 1.67 O ATOM 0 H LEU B 89 144.677 -9.523 -0.898 1.00 0.39 H new ATOM 0 HA LEU B 89 141.740 -9.053 -0.542 1.00 0.36 H new ATOM 0 HB2 LEU B 89 143.240 -6.871 -0.438 1.00 0.74 H new ATOM 0 HB3 LEU B 89 143.488 -7.153 -2.149 1.00 0.74 H new ATOM 0 HG LEU B 89 140.846 -7.366 -2.234 1.00 0.47 H new ATOM 0 HD11 LEU B 89 139.721 -5.926 -0.554 1.00 1.00 H new ATOM 0 HD12 LEU B 89 140.515 -7.318 0.219 1.00 1.00 H new ATOM 0 HD13 LEU B 89 141.270 -5.708 0.294 1.00 1.00 H new ATOM 0 HD21 LEU B 89 140.696 -4.900 -2.611 1.00 1.27 H new ATOM 0 HD22 LEU B 89 142.258 -4.684 -1.787 1.00 1.27 H new ATOM 0 HD23 LEU B 89 142.180 -5.568 -3.330 1.00 1.27 H new TER 2812 LEU B 89