USER MOD reduce.3.24.130724 H: found=0, std=0, add=1402, rem=0, adj=34 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 54 LYS NZ :NH3+ -132:sc= -0.234 (180deg=-0.738) USER MOD Set 1.2: B 85 CYS SG : rot 80:sc= 0.00546 USER MOD Set 2.1: A 54 LYS NZ :NH3+ -136:sc= -0.217 (180deg=-0.918) USER MOD Set 2.2: A 85 CYS SG : rot 79:sc= 0.00722 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0043 (180deg=-0.318) USER MOD Single : A 1 MET N :NH3+ 172:sc= -1.03 (180deg=-1.1) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -1.2 K(o=-1.2,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -1.46! C(o=-1.5!,f=-5.5!) USER MOD Single : A 15 MET CE :methyl -143:sc= -2.51! (180deg=-7.39!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -120:sc= -0.428 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.577 X(o=-0.58,f=-0.24) USER MOD Single : A 53 LYS NZ :NH3+ 162:sc= -0.105 (180deg=-0.816) USER MOD Single : A 64 LYS NZ :NH3+ -122:sc= -1.26 (180deg=-3.21!) USER MOD Single : A 66 THR OG1 : rot 78:sc= 0.746 USER MOD Single : A 67 CYS SG : rot -51:sc= -0.134 USER MOD Single : A 70 ASN : amide:sc= -0.0294 X(o=-0.029,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -1.61 K(o=-1.6,f=-0.36) USER MOD Single : A 74 SER OG : rot -80:sc= -0.701 USER MOD Single : A 77 CYS SG : rot -16:sc= -0.269 USER MOD Single : A 80 CYS SG : rot -42:sc= 0.745 USER MOD Single : B 1 MET CE :methyl -165:sc=-0.00461 (180deg=-0.311) USER MOD Single : B 1 MET N :NH3+ 172:sc= -1.06 (180deg=-1.13) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= -1.2 K(o=-1.2,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 HIS : no HD1:sc= -1.4! C(o=-1.4!,f=-5!) USER MOD Single : B 15 MET CE :methyl -145:sc= -2.49! (180deg=-7.17!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 SER OG : rot -120:sc= -0.43 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -0.51 X(o=-0.51,f=-0.18) USER MOD Single : B 53 LYS NZ :NH3+ 158:sc= -0.106 (180deg=-0.795) USER MOD Single : B 64 LYS NZ :NH3+ -115:sc= -1.2 (180deg=-3.26!) USER MOD Single : B 66 THR OG1 : rot 104:sc= 0.842 USER MOD Single : B 67 CYS SG : rot -50:sc= -0.459! USER MOD Single : B 70 ASN : amide:sc= -0.0319 X(o=-0.032,f=0) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 GLN : amide:sc= -1.67 K(o=-1.7,f=-0.34) USER MOD Single : B 74 SER OG : rot 120:sc= -0.729 USER MOD Single : B 77 CYS SG : rot -11:sc= -0.292 USER MOD Single : B 80 CYS SG : rot -46:sc= 0.642 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 115.872 -6.694 13.413 1.00 0.00 N ATOM 2 CA MET A 1 116.890 -7.268 14.338 1.00 0.00 C ATOM 3 C MET A 1 117.685 -8.357 13.614 1.00 0.00 C ATOM 4 O MET A 1 118.789 -8.687 13.998 1.00 0.00 O ATOM 5 CB MET A 1 116.189 -7.875 15.558 1.00 0.00 C ATOM 6 CG MET A 1 115.288 -9.028 15.112 1.00 0.00 C ATOM 7 SD MET A 1 114.242 -9.552 16.495 1.00 0.00 S ATOM 8 CE MET A 1 115.521 -10.401 17.456 1.00 0.00 C ATOM 0 H1 MET A 1 115.245 -6.054 13.941 1.00 0.00 H new ATOM 0 H2 MET A 1 116.350 -6.165 12.656 1.00 0.00 H new ATOM 0 H3 MET A 1 115.309 -7.463 12.996 1.00 0.00 H new ATOM 0 HA MET A 1 117.568 -6.479 14.663 1.00 0.00 H new ATOM 0 HB2 MET A 1 116.929 -8.234 16.274 1.00 0.00 H new ATOM 0 HB3 MET A 1 115.597 -7.114 16.066 1.00 0.00 H new ATOM 0 HG2 MET A 1 114.668 -8.714 14.272 1.00 0.00 H new ATOM 0 HG3 MET A 1 115.895 -9.864 14.765 1.00 0.00 H new ATOM 0 HE1 MET A 1 115.051 -11.039 18.204 1.00 0.00 H new ATOM 0 HE2 MET A 1 116.131 -11.011 16.790 1.00 0.00 H new ATOM 0 HE3 MET A 1 116.152 -9.664 17.953 1.00 0.00 H new ATOM 20 N THR A 2 117.129 -8.917 12.567 1.00 0.00 N ATOM 21 CA THR A 2 117.843 -9.993 11.805 1.00 0.00 C ATOM 22 C THR A 2 118.376 -9.424 10.486 1.00 0.00 C ATOM 23 O THR A 2 117.630 -8.943 9.656 1.00 0.00 O ATOM 24 CB THR A 2 116.864 -11.137 11.514 1.00 0.00 C ATOM 25 OG1 THR A 2 117.535 -12.156 10.786 1.00 0.00 O ATOM 26 CG2 THR A 2 115.676 -10.623 10.694 1.00 0.00 C ATOM 0 H THR A 2 116.207 -8.675 12.205 1.00 0.00 H new ATOM 0 HA THR A 2 118.679 -10.367 12.396 1.00 0.00 H new ATOM 0 HB THR A 2 116.495 -11.538 12.458 1.00 0.00 H new ATOM 0 HG1 THR A 2 116.912 -12.889 10.600 1.00 0.00 H new ATOM 0 HG21 THR A 2 114.989 -11.445 10.494 1.00 0.00 H new ATOM 0 HG22 THR A 2 115.158 -9.844 11.253 1.00 0.00 H new ATOM 0 HG23 THR A 2 116.035 -10.213 9.750 1.00 0.00 H new ATOM 34 N THR A 3 119.667 -9.473 10.288 1.00 0.00 N ATOM 35 CA THR A 3 120.255 -8.935 9.026 1.00 0.00 C ATOM 36 C THR A 3 120.125 -9.972 7.908 1.00 0.00 C ATOM 37 O THR A 3 119.958 -11.150 8.154 1.00 0.00 O ATOM 38 CB THR A 3 121.737 -8.620 9.245 1.00 0.00 C ATOM 39 OG1 THR A 3 122.427 -9.815 9.584 1.00 0.00 O ATOM 40 CG2 THR A 3 121.886 -7.605 10.379 1.00 0.00 C ATOM 0 H THR A 3 120.341 -9.863 10.947 1.00 0.00 H new ATOM 0 HA THR A 3 119.721 -8.027 8.745 1.00 0.00 H new ATOM 0 HB THR A 3 122.158 -8.202 8.331 1.00 0.00 H new ATOM 0 HG1 THR A 3 123.377 -9.616 9.723 1.00 0.00 H new ATOM 0 HG21 THR A 3 122.942 -7.383 10.532 1.00 0.00 H new ATOM 0 HG22 THR A 3 121.357 -6.688 10.119 1.00 0.00 H new ATOM 0 HG23 THR A 3 121.466 -8.019 11.295 1.00 0.00 H new ATOM 48 N SER A 4 120.212 -9.540 6.677 1.00 0.00 N ATOM 49 CA SER A 4 120.107 -10.494 5.536 1.00 0.00 C ATOM 50 C SER A 4 121.359 -11.373 5.498 1.00 0.00 C ATOM 51 O SER A 4 122.382 -11.052 6.070 1.00 0.00 O ATOM 52 CB SER A 4 119.990 -9.717 4.226 1.00 0.00 C ATOM 53 OG SER A 4 121.220 -9.056 3.960 1.00 0.00 O ATOM 0 H SER A 4 120.352 -8.565 6.413 1.00 0.00 H new ATOM 0 HA SER A 4 119.223 -11.119 5.664 1.00 0.00 H new ATOM 0 HB2 SER A 4 119.744 -10.395 3.409 1.00 0.00 H new ATOM 0 HB3 SER A 4 119.180 -8.990 4.292 1.00 0.00 H new ATOM 0 HG SER A 4 121.149 -8.558 3.119 1.00 0.00 H new ATOM 59 N GLN A 5 121.268 -12.495 4.837 1.00 0.00 N ATOM 60 CA GLN A 5 122.425 -13.430 4.756 1.00 0.00 C ATOM 61 C GLN A 5 123.625 -12.743 4.099 1.00 0.00 C ATOM 62 O GLN A 5 124.759 -13.124 4.318 1.00 0.00 O ATOM 63 CB GLN A 5 122.030 -14.661 3.934 1.00 0.00 C ATOM 64 CG GLN A 5 123.177 -15.676 3.941 1.00 0.00 C ATOM 65 CD GLN A 5 122.778 -16.904 3.119 1.00 0.00 C ATOM 66 OE1 GLN A 5 123.625 -17.661 2.687 1.00 0.00 O ATOM 67 NE2 GLN A 5 121.517 -17.133 2.882 1.00 0.00 N ATOM 0 H GLN A 5 120.431 -12.807 4.344 1.00 0.00 H new ATOM 0 HA GLN A 5 122.703 -13.732 5.766 1.00 0.00 H new ATOM 0 HB2 GLN A 5 121.129 -15.113 4.348 1.00 0.00 H new ATOM 0 HB3 GLN A 5 121.798 -14.367 2.910 1.00 0.00 H new ATOM 0 HG2 GLN A 5 124.078 -15.225 3.526 1.00 0.00 H new ATOM 0 HG3 GLN A 5 123.410 -15.970 4.964 1.00 0.00 H new ATOM 0 HE21 GLN A 5 120.806 -16.498 3.245 1.00 0.00 H new ATOM 0 HE22 GLN A 5 121.241 -17.948 2.334 1.00 0.00 H new ATOM 76 N LYS A 6 123.398 -11.740 3.291 1.00 0.00 N ATOM 77 CA LYS A 6 124.533 -11.043 2.621 1.00 0.00 C ATOM 78 C LYS A 6 125.457 -10.434 3.671 1.00 0.00 C ATOM 79 O LYS A 6 126.663 -10.434 3.525 1.00 0.00 O ATOM 80 CB LYS A 6 123.978 -9.926 1.736 1.00 0.00 C ATOM 81 CG LYS A 6 123.254 -10.541 0.542 1.00 0.00 C ATOM 82 CD LYS A 6 122.696 -9.427 -0.347 1.00 0.00 C ATOM 83 CE LYS A 6 121.968 -10.039 -1.547 1.00 0.00 C ATOM 84 NZ LYS A 6 121.049 -9.026 -2.139 1.00 0.00 N ATOM 0 H LYS A 6 122.473 -11.374 3.067 1.00 0.00 H new ATOM 0 HA LYS A 6 125.093 -11.758 2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 6 123.293 -9.300 2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 6 124.788 -9.282 1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 6 123.939 -11.167 -0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 6 122.445 -11.185 0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 6 122.011 -8.801 0.225 1.00 0.00 H new ATOM 0 HD3 LYS A 6 123.506 -8.783 -0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 6 122.690 -10.371 -2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 6 121.405 -10.918 -1.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 120.554 -9.441 -2.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 120.353 -8.730 -1.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 121.598 -8.200 -2.451 1.00 0.00 H new ATOM 98 N HIS A 7 124.909 -9.893 4.722 1.00 0.00 N ATOM 99 CA HIS A 7 125.772 -9.267 5.758 1.00 0.00 C ATOM 100 C HIS A 7 126.756 -10.294 6.311 1.00 0.00 C ATOM 101 O HIS A 7 127.941 -10.047 6.375 1.00 0.00 O ATOM 102 CB HIS A 7 124.889 -8.731 6.893 1.00 0.00 C ATOM 103 CG HIS A 7 125.746 -8.245 8.035 1.00 0.00 C ATOM 104 ND1 HIS A 7 126.310 -6.976 8.058 1.00 0.00 N ATOM 105 CD2 HIS A 7 126.133 -8.848 9.207 1.00 0.00 C ATOM 106 CE1 HIS A 7 126.997 -6.859 9.213 1.00 0.00 C ATOM 107 NE2 HIS A 7 126.919 -7.971 9.944 1.00 0.00 N ATOM 0 H HIS A 7 123.907 -9.858 4.907 1.00 0.00 H new ATOM 0 HA HIS A 7 126.335 -8.447 5.312 1.00 0.00 H new ATOM 0 HB2 HIS A 7 124.265 -7.916 6.525 1.00 0.00 H new ATOM 0 HB3 HIS A 7 124.217 -9.515 7.241 1.00 0.00 H new ATOM 0 HD2 HIS A 7 125.867 -9.850 9.509 1.00 0.00 H new ATOM 0 HE1 HIS A 7 127.542 -5.975 9.509 1.00 0.00 H new ATOM 0 HE2 HIS A 7 127.347 -8.142 10.854 1.00 0.00 H new ATOM 115 N ARG A 8 126.281 -11.448 6.704 1.00 0.00 N ATOM 116 CA ARG A 8 127.191 -12.493 7.247 1.00 0.00 C ATOM 117 C ARG A 8 128.071 -13.059 6.135 1.00 0.00 C ATOM 118 O ARG A 8 129.202 -13.428 6.362 1.00 0.00 O ATOM 119 CB ARG A 8 126.358 -13.616 7.865 1.00 0.00 C ATOM 120 CG ARG A 8 125.692 -13.106 9.144 1.00 0.00 C ATOM 121 CD ARG A 8 124.858 -14.226 9.765 1.00 0.00 C ATOM 122 NE ARG A 8 123.811 -14.659 8.798 1.00 0.00 N ATOM 123 CZ ARG A 8 123.183 -15.787 8.980 1.00 0.00 C ATOM 124 NH1 ARG A 8 123.466 -16.530 10.015 1.00 0.00 N ATOM 125 NH2 ARG A 8 122.270 -16.171 8.130 1.00 0.00 N ATOM 0 H ARG A 8 125.296 -11.710 6.671 1.00 0.00 H new ATOM 0 HA ARG A 8 127.832 -12.048 8.008 1.00 0.00 H new ATOM 0 HB2 ARG A 8 125.601 -13.955 7.157 1.00 0.00 H new ATOM 0 HB3 ARG A 8 126.992 -14.474 8.089 1.00 0.00 H new ATOM 0 HG2 ARG A 8 126.449 -12.767 9.851 1.00 0.00 H new ATOM 0 HG3 ARG A 8 125.059 -12.248 8.920 1.00 0.00 H new ATOM 0 HD2 ARG A 8 125.498 -15.069 10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 8 124.394 -13.880 10.689 1.00 0.00 H new ATOM 0 HE ARG A 8 123.585 -14.073 7.994 1.00 0.00 H new ATOM 0 HH11 ARG A 8 124.178 -16.228 10.680 1.00 0.00 H new ATOM 0 HH12 ARG A 8 122.975 -17.413 10.159 1.00 0.00 H new ATOM 0 HH21 ARG A 8 122.047 -15.589 7.323 1.00 0.00 H new ATOM 0 HH22 ARG A 8 121.779 -17.054 8.273 1.00 0.00 H new ATOM 139 N ASP A 9 127.569 -13.128 4.935 1.00 0.00 N ATOM 140 CA ASP A 9 128.392 -13.678 3.821 1.00 0.00 C ATOM 141 C ASP A 9 129.596 -12.771 3.615 1.00 0.00 C ATOM 142 O ASP A 9 130.696 -13.215 3.351 1.00 0.00 O ATOM 143 CB ASP A 9 127.576 -13.687 2.527 1.00 0.00 C ATOM 144 CG ASP A 9 126.472 -14.740 2.606 1.00 0.00 C ATOM 145 OD1 ASP A 9 126.562 -15.605 3.461 1.00 0.00 O ATOM 146 OD2 ASP A 9 125.556 -14.666 1.803 1.00 0.00 O ATOM 0 H ASP A 9 126.629 -12.829 4.677 1.00 0.00 H new ATOM 0 HA ASP A 9 128.703 -14.693 4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 9 127.139 -12.703 2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 9 128.228 -13.896 1.679 1.00 0.00 H new ATOM 151 N PHE A 10 129.380 -11.497 3.710 1.00 0.00 N ATOM 152 CA PHE A 10 130.494 -10.544 3.494 1.00 0.00 C ATOM 153 C PHE A 10 131.596 -10.781 4.539 1.00 0.00 C ATOM 154 O PHE A 10 132.753 -10.942 4.204 1.00 0.00 O ATOM 155 CB PHE A 10 129.939 -9.123 3.635 1.00 0.00 C ATOM 156 CG PHE A 10 130.903 -8.130 3.033 1.00 0.00 C ATOM 157 CD1 PHE A 10 131.134 -8.142 1.653 1.00 0.00 C ATOM 158 CD2 PHE A 10 131.557 -7.195 3.845 1.00 0.00 C ATOM 159 CE1 PHE A 10 132.020 -7.221 1.084 1.00 0.00 C ATOM 160 CE2 PHE A 10 132.443 -6.273 3.276 1.00 0.00 C ATOM 161 CZ PHE A 10 132.674 -6.286 1.896 1.00 0.00 C ATOM 0 H PHE A 10 128.479 -11.072 3.928 1.00 0.00 H new ATOM 0 HA PHE A 10 130.923 -10.685 2.502 1.00 0.00 H new ATOM 0 HB2 PHE A 10 128.972 -9.051 3.138 1.00 0.00 H new ATOM 0 HB3 PHE A 10 129.775 -8.891 4.687 1.00 0.00 H new ATOM 0 HD1 PHE A 10 130.628 -8.862 1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 10 131.378 -7.185 4.910 1.00 0.00 H new ATOM 0 HE1 PHE A 10 132.200 -7.231 0.019 1.00 0.00 H new ATOM 0 HE2 PHE A 10 132.948 -5.552 3.902 1.00 0.00 H new ATOM 0 HZ PHE A 10 133.357 -5.574 1.457 1.00 0.00 H new ATOM 171 N VAL A 11 131.246 -10.797 5.800 1.00 0.00 N ATOM 172 CA VAL A 11 132.269 -11.008 6.877 1.00 0.00 C ATOM 173 C VAL A 11 132.472 -12.496 7.192 1.00 0.00 C ATOM 174 O VAL A 11 133.206 -12.838 8.098 1.00 0.00 O ATOM 175 CB VAL A 11 131.801 -10.304 8.155 1.00 0.00 C ATOM 176 CG1 VAL A 11 131.726 -8.777 7.931 1.00 0.00 C ATOM 177 CG2 VAL A 11 130.417 -10.843 8.550 1.00 0.00 C ATOM 0 H VAL A 11 130.291 -10.673 6.135 1.00 0.00 H new ATOM 0 HA VAL A 11 133.215 -10.599 6.521 1.00 0.00 H new ATOM 0 HB VAL A 11 132.514 -10.501 8.955 1.00 0.00 H new ATOM 0 HG11 VAL A 11 131.392 -8.291 8.848 1.00 0.00 H new ATOM 0 HG12 VAL A 11 132.712 -8.400 7.659 1.00 0.00 H new ATOM 0 HG13 VAL A 11 131.021 -8.561 7.128 1.00 0.00 H new ATOM 0 HG21 VAL A 11 130.079 -10.346 9.459 1.00 0.00 H new ATOM 0 HG22 VAL A 11 129.708 -10.650 7.745 1.00 0.00 H new ATOM 0 HG23 VAL A 11 130.481 -11.917 8.726 1.00 0.00 H new ATOM 187 N ALA A 12 131.861 -13.383 6.453 1.00 0.00 N ATOM 188 CA ALA A 12 132.061 -14.848 6.720 1.00 0.00 C ATOM 189 C ALA A 12 133.082 -15.406 5.736 1.00 0.00 C ATOM 190 O ALA A 12 133.693 -16.432 5.965 1.00 0.00 O ATOM 191 CB ALA A 12 130.742 -15.598 6.559 1.00 0.00 C ATOM 0 H ALA A 12 131.234 -13.164 5.679 1.00 0.00 H new ATOM 0 HA ALA A 12 132.421 -14.977 7.741 1.00 0.00 H new ATOM 0 HB1 ALA A 12 130.900 -16.658 6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 12 130.011 -15.204 7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 12 130.372 -15.468 5.542 1.00 0.00 H new ATOM 197 N GLU A 13 133.271 -14.730 4.640 1.00 0.00 N ATOM 198 CA GLU A 13 134.250 -15.200 3.621 1.00 0.00 C ATOM 199 C GLU A 13 134.837 -13.974 2.914 1.00 0.00 C ATOM 200 O GLU A 13 134.183 -12.956 2.812 1.00 0.00 O ATOM 201 CB GLU A 13 133.529 -16.090 2.602 1.00 0.00 C ATOM 202 CG GLU A 13 132.214 -15.430 2.179 1.00 0.00 C ATOM 203 CD GLU A 13 131.602 -16.213 1.013 1.00 0.00 C ATOM 204 OE1 GLU A 13 132.333 -16.526 0.088 1.00 0.00 O ATOM 205 OE2 GLU A 13 130.415 -16.485 1.067 1.00 0.00 O ATOM 0 H GLU A 13 132.786 -13.865 4.403 1.00 0.00 H new ATOM 0 HA GLU A 13 135.047 -15.773 4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 13 134.164 -16.249 1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 13 133.332 -17.070 3.036 1.00 0.00 H new ATOM 0 HG2 GLU A 13 131.520 -15.406 3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 13 132.392 -14.396 1.883 1.00 0.00 H new ATOM 212 N PRO A 14 136.047 -14.056 2.415 1.00 0.00 N ATOM 213 CA PRO A 14 136.676 -12.911 1.705 1.00 0.00 C ATOM 214 C PRO A 14 135.667 -12.207 0.791 1.00 0.00 C ATOM 215 O PRO A 14 134.664 -12.780 0.412 1.00 0.00 O ATOM 216 CB PRO A 14 137.791 -13.575 0.886 1.00 0.00 C ATOM 217 CG PRO A 14 138.187 -14.787 1.677 1.00 0.00 C ATOM 218 CD PRO A 14 136.943 -15.228 2.467 1.00 0.00 C ATOM 0 HA PRO A 14 137.044 -12.140 2.382 1.00 0.00 H new ATOM 0 HB2 PRO A 14 137.439 -13.851 -0.108 1.00 0.00 H new ATOM 0 HB3 PRO A 14 138.636 -12.900 0.750 1.00 0.00 H new ATOM 0 HG2 PRO A 14 138.529 -15.585 1.017 1.00 0.00 H new ATOM 0 HG3 PRO A 14 139.011 -14.556 2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 14 136.477 -16.106 2.019 1.00 0.00 H new ATOM 0 HD3 PRO A 14 137.196 -15.491 3.494 1.00 0.00 H new ATOM 226 N MET A 15 135.913 -10.978 0.429 1.00 0.00 N ATOM 227 CA MET A 15 134.950 -10.266 -0.463 1.00 0.00 C ATOM 228 C MET A 15 135.309 -10.568 -1.918 1.00 0.00 C ATOM 229 O MET A 15 134.480 -10.501 -2.804 1.00 0.00 O ATOM 230 CB MET A 15 135.023 -8.756 -0.207 1.00 0.00 C ATOM 231 CG MET A 15 136.483 -8.326 -0.045 1.00 0.00 C ATOM 232 SD MET A 15 136.616 -6.531 -0.266 1.00 0.00 S ATOM 233 CE MET A 15 136.154 -6.036 1.414 1.00 0.00 C ATOM 0 H MET A 15 136.732 -10.438 0.709 1.00 0.00 H new ATOM 0 HA MET A 15 133.935 -10.606 -0.258 1.00 0.00 H new ATOM 0 HB2 MET A 15 134.565 -8.215 -1.035 1.00 0.00 H new ATOM 0 HB3 MET A 15 134.458 -8.503 0.690 1.00 0.00 H new ATOM 0 HG2 MET A 15 136.849 -8.609 0.942 1.00 0.00 H new ATOM 0 HG3 MET A 15 137.107 -8.840 -0.776 1.00 0.00 H new ATOM 0 HE1 MET A 15 135.557 -5.125 1.374 1.00 0.00 H new ATOM 0 HE2 MET A 15 135.572 -6.831 1.880 1.00 0.00 H new ATOM 0 HE3 MET A 15 137.055 -5.854 2.000 1.00 0.00 H new ATOM 243 N GLY A 16 136.543 -10.918 -2.163 1.00 0.00 N ATOM 244 CA GLY A 16 136.974 -11.247 -3.550 1.00 0.00 C ATOM 245 C GLY A 16 136.538 -10.147 -4.517 1.00 0.00 C ATOM 246 O GLY A 16 136.606 -8.972 -4.214 1.00 0.00 O ATOM 0 H GLY A 16 137.275 -10.990 -1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 16 138.057 -11.361 -3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 16 136.543 -12.201 -3.855 1.00 0.00 H new ATOM 250 N GLU A 17 136.121 -10.528 -5.696 1.00 0.00 N ATOM 251 CA GLU A 17 135.707 -9.529 -6.729 1.00 0.00 C ATOM 252 C GLU A 17 134.182 -9.474 -6.837 1.00 0.00 C ATOM 253 O GLU A 17 133.639 -9.192 -7.886 1.00 0.00 O ATOM 254 CB GLU A 17 136.298 -9.947 -8.076 1.00 0.00 C ATOM 255 CG GLU A 17 137.825 -9.877 -8.001 1.00 0.00 C ATOM 256 CD GLU A 17 138.426 -10.294 -9.345 1.00 0.00 C ATOM 257 OE1 GLU A 17 137.682 -10.782 -10.179 1.00 0.00 O ATOM 258 OE2 GLU A 17 139.621 -10.117 -9.516 1.00 0.00 O ATOM 0 H GLU A 17 136.048 -11.501 -5.992 1.00 0.00 H new ATOM 0 HA GLU A 17 136.071 -8.542 -6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 17 135.981 -10.959 -8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 17 135.931 -9.292 -8.866 1.00 0.00 H new ATOM 0 HG2 GLU A 17 138.140 -8.865 -7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 17 138.190 -10.531 -7.209 1.00 0.00 H new ATOM 265 N LYS A 18 133.482 -9.737 -5.767 1.00 0.00 N ATOM 266 CA LYS A 18 131.995 -9.692 -5.837 1.00 0.00 C ATOM 267 C LYS A 18 131.582 -8.268 -6.251 1.00 0.00 C ATOM 268 O LYS A 18 132.268 -7.313 -5.947 1.00 0.00 O ATOM 269 CB LYS A 18 131.400 -10.036 -4.466 1.00 0.00 C ATOM 270 CG LYS A 18 131.604 -11.529 -4.170 1.00 0.00 C ATOM 271 CD LYS A 18 130.707 -11.951 -3.003 1.00 0.00 C ATOM 272 CE LYS A 18 131.044 -11.118 -1.765 1.00 0.00 C ATOM 273 NZ LYS A 18 130.484 -11.781 -0.553 1.00 0.00 N ATOM 0 H LYS A 18 133.871 -9.979 -4.856 1.00 0.00 H new ATOM 0 HA LYS A 18 131.625 -10.416 -6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 18 131.876 -9.434 -3.692 1.00 0.00 H new ATOM 0 HB3 LYS A 18 130.337 -9.795 -4.450 1.00 0.00 H new ATOM 0 HG2 LYS A 18 131.368 -12.121 -5.055 1.00 0.00 H new ATOM 0 HG3 LYS A 18 132.649 -11.722 -3.926 1.00 0.00 H new ATOM 0 HD2 LYS A 18 129.659 -11.815 -3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 18 130.847 -13.011 -2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 18 132.124 -11.012 -1.668 1.00 0.00 H new ATOM 0 HE3 LYS A 18 130.633 -10.114 -1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 130.713 -11.215 0.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 129.451 -11.861 -0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 130.897 -12.730 -0.455 1.00 0.00 H new ATOM 287 N PRO A 19 130.493 -8.124 -6.972 1.00 0.00 N ATOM 288 CA PRO A 19 130.025 -6.790 -7.468 1.00 0.00 C ATOM 289 C PRO A 19 129.595 -5.836 -6.348 1.00 0.00 C ATOM 290 O PRO A 19 129.198 -6.243 -5.274 1.00 0.00 O ATOM 291 CB PRO A 19 128.840 -7.132 -8.391 1.00 0.00 C ATOM 292 CG PRO A 19 128.354 -8.467 -7.921 1.00 0.00 C ATOM 293 CD PRO A 19 129.584 -9.207 -7.393 1.00 0.00 C ATOM 0 HA PRO A 19 130.830 -6.255 -7.973 1.00 0.00 H new ATOM 0 HB2 PRO A 19 128.055 -6.379 -8.320 1.00 0.00 H new ATOM 0 HB3 PRO A 19 129.151 -7.171 -9.435 1.00 0.00 H new ATOM 0 HG2 PRO A 19 127.602 -8.355 -7.140 1.00 0.00 H new ATOM 0 HG3 PRO A 19 127.887 -9.020 -8.736 1.00 0.00 H new ATOM 0 HD2 PRO A 19 129.330 -9.862 -6.560 1.00 0.00 H new ATOM 0 HD3 PRO A 19 130.036 -9.832 -8.163 1.00 0.00 H new ATOM 301 N VAL A 20 129.684 -4.560 -6.612 1.00 0.00 N ATOM 302 CA VAL A 20 129.302 -3.536 -5.601 1.00 0.00 C ATOM 303 C VAL A 20 127.911 -3.840 -5.033 1.00 0.00 C ATOM 304 O VAL A 20 127.617 -3.547 -3.891 1.00 0.00 O ATOM 305 CB VAL A 20 129.300 -2.157 -6.273 1.00 0.00 C ATOM 306 CG1 VAL A 20 128.484 -2.219 -7.566 1.00 0.00 C ATOM 307 CG2 VAL A 20 128.681 -1.116 -5.334 1.00 0.00 C ATOM 0 H VAL A 20 130.011 -4.180 -7.500 1.00 0.00 H new ATOM 0 HA VAL A 20 130.019 -3.550 -4.780 1.00 0.00 H new ATOM 0 HB VAL A 20 130.327 -1.871 -6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 20 128.483 -1.239 -8.043 1.00 0.00 H new ATOM 0 HG12 VAL A 20 128.927 -2.951 -8.241 1.00 0.00 H new ATOM 0 HG13 VAL A 20 127.460 -2.512 -7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 20 128.684 -0.140 -5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 20 127.655 -1.402 -5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 20 129.263 -1.065 -4.414 1.00 0.00 H new ATOM 317 N GLY A 21 127.043 -4.409 -5.835 1.00 0.00 N ATOM 318 CA GLY A 21 125.662 -4.718 -5.368 1.00 0.00 C ATOM 319 C GLY A 21 125.686 -5.861 -4.353 1.00 0.00 C ATOM 320 O GLY A 21 124.670 -6.213 -3.785 1.00 0.00 O ATOM 0 H GLY A 21 127.238 -4.673 -6.801 1.00 0.00 H new ATOM 0 HA2 GLY A 21 125.217 -3.831 -4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 21 125.036 -4.991 -6.218 1.00 0.00 H new ATOM 324 N SER A 22 126.827 -6.447 -4.109 1.00 0.00 N ATOM 325 CA SER A 22 126.890 -7.562 -3.121 1.00 0.00 C ATOM 326 C SER A 22 127.012 -6.982 -1.709 1.00 0.00 C ATOM 327 O SER A 22 126.749 -7.651 -0.730 1.00 0.00 O ATOM 328 CB SER A 22 128.108 -8.437 -3.418 1.00 0.00 C ATOM 329 OG SER A 22 128.060 -8.866 -4.772 1.00 0.00 O ATOM 0 H SER A 22 127.714 -6.203 -4.549 1.00 0.00 H new ATOM 0 HA SER A 22 125.984 -8.164 -3.192 1.00 0.00 H new ATOM 0 HB2 SER A 22 129.025 -7.878 -3.234 1.00 0.00 H new ATOM 0 HB3 SER A 22 128.122 -9.299 -2.752 1.00 0.00 H new ATOM 0 HG SER A 22 128.034 -9.845 -4.804 1.00 0.00 H new ATOM 335 N LEU A 23 127.414 -5.744 -1.597 1.00 0.00 N ATOM 336 CA LEU A 23 127.560 -5.127 -0.246 1.00 0.00 C ATOM 337 C LEU A 23 126.198 -5.063 0.443 1.00 0.00 C ATOM 338 O LEU A 23 125.206 -4.671 -0.140 1.00 0.00 O ATOM 339 CB LEU A 23 128.120 -3.708 -0.385 1.00 0.00 C ATOM 340 CG LEU A 23 129.552 -3.751 -0.935 1.00 0.00 C ATOM 341 CD1 LEU A 23 129.999 -2.328 -1.278 1.00 0.00 C ATOM 342 CD2 LEU A 23 130.510 -4.356 0.108 1.00 0.00 C ATOM 0 H LEU A 23 127.647 -5.134 -2.381 1.00 0.00 H new ATOM 0 HA LEU A 23 128.242 -5.734 0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 23 127.485 -3.123 -1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 23 128.110 -3.210 0.584 1.00 0.00 H new ATOM 0 HG LEU A 23 129.573 -4.374 -1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 23 131.016 -2.351 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 23 129.330 -1.908 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 23 129.970 -1.711 -0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 23 131.522 -4.379 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 23 130.495 -3.747 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 23 130.192 -5.370 0.349 1.00 0.00 H new ATOM 354 N ALA A 24 126.152 -5.449 1.684 1.00 0.00 N ATOM 355 CA ALA A 24 124.864 -5.420 2.430 1.00 0.00 C ATOM 356 C ALA A 24 124.370 -3.973 2.562 1.00 0.00 C ATOM 357 O ALA A 24 125.114 -3.073 2.893 1.00 0.00 O ATOM 358 CB ALA A 24 125.083 -6.023 3.822 1.00 0.00 C ATOM 0 H ALA A 24 126.954 -5.785 2.218 1.00 0.00 H new ATOM 0 HA ALA A 24 124.114 -5.999 1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 24 124.145 -6.007 4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 24 125.428 -7.052 3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 24 125.832 -5.440 4.358 1.00 0.00 H new ATOM 364 N GLY A 25 123.108 -3.762 2.296 1.00 0.00 N ATOM 365 CA GLY A 25 122.525 -2.385 2.390 1.00 0.00 C ATOM 366 C GLY A 25 122.412 -1.781 0.989 1.00 0.00 C ATOM 367 O GLY A 25 121.660 -0.853 0.763 1.00 0.00 O ATOM 0 H GLY A 25 122.449 -4.488 2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 25 121.542 -2.426 2.860 1.00 0.00 H new ATOM 0 HA3 GLY A 25 123.153 -1.755 3.019 1.00 0.00 H new ATOM 371 N ILE A 26 123.143 -2.306 0.040 1.00 0.00 N ATOM 372 CA ILE A 26 123.071 -1.773 -1.357 1.00 0.00 C ATOM 373 C ILE A 26 122.150 -2.679 -2.174 1.00 0.00 C ATOM 374 O ILE A 26 122.422 -3.852 -2.339 1.00 0.00 O ATOM 375 CB ILE A 26 124.467 -1.787 -1.982 1.00 0.00 C ATOM 376 CG1 ILE A 26 125.465 -1.086 -1.048 1.00 0.00 C ATOM 377 CG2 ILE A 26 124.431 -1.069 -3.332 1.00 0.00 C ATOM 378 CD1 ILE A 26 124.957 0.312 -0.674 1.00 0.00 C ATOM 0 H ILE A 26 123.790 -3.084 0.171 1.00 0.00 H new ATOM 0 HA ILE A 26 122.689 -0.752 -1.346 1.00 0.00 H new ATOM 0 HB ILE A 26 124.783 -2.820 -2.130 1.00 0.00 H new ATOM 0 HG12 ILE A 26 125.608 -1.681 -0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 26 126.436 -1.008 -1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 26 125.426 -1.080 -3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 26 123.732 -1.577 -3.996 1.00 0.00 H new ATOM 0 HG23 ILE A 26 124.109 -0.038 -3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 26 125.676 0.795 -0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 26 124.837 0.910 -1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 26 123.996 0.226 -0.166 1.00 0.00 H new ATOM 390 N GLY A 27 121.065 -2.163 -2.697 1.00 0.00 N ATOM 391 CA GLY A 27 120.148 -3.018 -3.508 1.00 0.00 C ATOM 392 C GLY A 27 120.545 -2.942 -4.985 1.00 0.00 C ATOM 393 O GLY A 27 121.448 -2.220 -5.359 1.00 0.00 O ATOM 0 H GLY A 27 120.777 -1.190 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 27 120.196 -4.050 -3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 27 119.118 -2.686 -3.381 1.00 0.00 H new ATOM 397 N GLU A 28 119.897 -3.708 -5.819 1.00 0.00 N ATOM 398 CA GLU A 28 120.256 -3.709 -7.269 1.00 0.00 C ATOM 399 C GLU A 28 120.129 -2.303 -7.869 1.00 0.00 C ATOM 400 O GLU A 28 120.945 -1.896 -8.674 1.00 0.00 O ATOM 401 CB GLU A 28 119.323 -4.658 -8.022 1.00 0.00 C ATOM 402 CG GLU A 28 119.642 -6.103 -7.638 1.00 0.00 C ATOM 403 CD GLU A 28 118.685 -7.048 -8.366 1.00 0.00 C ATOM 404 OE1 GLU A 28 117.837 -6.556 -9.091 1.00 0.00 O ATOM 405 OE2 GLU A 28 118.815 -8.248 -8.184 1.00 0.00 O ATOM 0 H GLU A 28 119.134 -4.334 -5.561 1.00 0.00 H new ATOM 0 HA GLU A 28 121.291 -4.038 -7.366 1.00 0.00 H new ATOM 0 HB2 GLU A 28 118.285 -4.428 -7.783 1.00 0.00 H new ATOM 0 HB3 GLU A 28 119.440 -4.522 -9.097 1.00 0.00 H new ATOM 0 HG2 GLU A 28 120.673 -6.341 -7.899 1.00 0.00 H new ATOM 0 HG3 GLU A 28 119.548 -6.233 -6.560 1.00 0.00 H new ATOM 412 N VAL A 29 119.121 -1.559 -7.507 1.00 0.00 N ATOM 413 CA VAL A 29 118.971 -0.193 -8.094 1.00 0.00 C ATOM 414 C VAL A 29 120.094 0.709 -7.574 1.00 0.00 C ATOM 415 O VAL A 29 120.662 1.500 -8.304 1.00 0.00 O ATOM 416 CB VAL A 29 117.609 0.386 -7.695 1.00 0.00 C ATOM 417 CG1 VAL A 29 117.533 1.865 -8.085 1.00 0.00 C ATOM 418 CG2 VAL A 29 116.499 -0.385 -8.414 1.00 0.00 C ATOM 0 H VAL A 29 118.401 -1.831 -6.838 1.00 0.00 H new ATOM 0 HA VAL A 29 119.031 -0.251 -9.181 1.00 0.00 H new ATOM 0 HB VAL A 29 117.484 0.294 -6.616 1.00 0.00 H new ATOM 0 HG11 VAL A 29 116.562 2.268 -7.798 1.00 0.00 H new ATOM 0 HG12 VAL A 29 118.321 2.417 -7.573 1.00 0.00 H new ATOM 0 HG13 VAL A 29 117.662 1.964 -9.163 1.00 0.00 H new ATOM 0 HG21 VAL A 29 115.529 0.025 -8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 29 116.632 -0.293 -9.492 1.00 0.00 H new ATOM 0 HG23 VAL A 29 116.544 -1.437 -8.131 1.00 0.00 H new ATOM 428 N LEU A 30 120.407 0.606 -6.314 1.00 0.00 N ATOM 429 CA LEU A 30 121.477 1.462 -5.729 1.00 0.00 C ATOM 430 C LEU A 30 122.829 1.073 -6.330 1.00 0.00 C ATOM 431 O LEU A 30 123.675 1.908 -6.578 1.00 0.00 O ATOM 432 CB LEU A 30 121.513 1.263 -4.210 1.00 0.00 C ATOM 433 CG LEU A 30 120.159 1.648 -3.595 1.00 0.00 C ATOM 434 CD1 LEU A 30 120.220 1.441 -2.078 1.00 0.00 C ATOM 435 CD2 LEU A 30 119.827 3.120 -3.903 1.00 0.00 C ATOM 0 H LEU A 30 119.965 -0.039 -5.659 1.00 0.00 H new ATOM 0 HA LEU A 30 121.271 2.508 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 30 121.745 0.224 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 30 122.305 1.872 -3.774 1.00 0.00 H new ATOM 0 HG LEU A 30 119.380 1.019 -4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 30 119.262 1.713 -1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 30 120.436 0.395 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 30 121.005 2.068 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 30 118.865 3.376 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 30 120.602 3.763 -3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 30 119.780 3.264 -4.982 1.00 0.00 H new ATOM 447 N GLY A 31 123.037 -0.191 -6.562 1.00 0.00 N ATOM 448 CA GLY A 31 124.333 -0.637 -7.145 1.00 0.00 C ATOM 449 C GLY A 31 124.540 0.026 -8.511 1.00 0.00 C ATOM 450 O GLY A 31 125.634 0.421 -8.859 1.00 0.00 O ATOM 0 H GLY A 31 122.366 -0.936 -6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 31 125.153 -0.377 -6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 31 124.341 -1.722 -7.251 1.00 0.00 H new ATOM 454 N LYS A 32 123.499 0.133 -9.291 1.00 0.00 N ATOM 455 CA LYS A 32 123.633 0.754 -10.642 1.00 0.00 C ATOM 456 C LYS A 32 124.059 2.222 -10.524 1.00 0.00 C ATOM 457 O LYS A 32 124.847 2.702 -11.315 1.00 0.00 O ATOM 458 CB LYS A 32 122.294 0.664 -11.383 1.00 0.00 C ATOM 459 CG LYS A 32 122.439 1.249 -12.794 1.00 0.00 C ATOM 460 CD LYS A 32 121.100 1.158 -13.530 1.00 0.00 C ATOM 461 CE LYS A 32 121.253 1.743 -14.936 1.00 0.00 C ATOM 462 NZ LYS A 32 119.994 1.532 -15.703 1.00 0.00 N ATOM 0 H LYS A 32 122.559 -0.183 -9.052 1.00 0.00 H new ATOM 0 HA LYS A 32 124.399 0.214 -11.199 1.00 0.00 H new ATOM 0 HB2 LYS A 32 121.970 -0.375 -11.442 1.00 0.00 H new ATOM 0 HB3 LYS A 32 121.526 1.207 -10.832 1.00 0.00 H new ATOM 0 HG2 LYS A 32 122.763 2.288 -12.736 1.00 0.00 H new ATOM 0 HG3 LYS A 32 123.206 0.706 -13.346 1.00 0.00 H new ATOM 0 HD2 LYS A 32 120.775 0.119 -13.590 1.00 0.00 H new ATOM 0 HD3 LYS A 32 120.332 1.701 -12.979 1.00 0.00 H new ATOM 0 HE2 LYS A 32 121.480 2.807 -14.876 1.00 0.00 H new ATOM 0 HE3 LYS A 32 122.088 1.267 -15.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 120.099 1.930 -16.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 119.796 0.513 -15.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 119.207 2.005 -15.215 1.00 0.00 H new ATOM 476 N LYS A 33 123.535 2.957 -9.580 1.00 0.00 N ATOM 477 CA LYS A 33 123.920 4.396 -9.483 1.00 0.00 C ATOM 478 C LYS A 33 125.389 4.522 -9.062 1.00 0.00 C ATOM 479 O LYS A 33 126.129 5.312 -9.614 1.00 0.00 O ATOM 480 CB LYS A 33 123.026 5.091 -8.453 1.00 0.00 C ATOM 481 CG LYS A 33 121.606 5.194 -9.013 1.00 0.00 C ATOM 482 CD LYS A 33 120.698 5.887 -7.995 1.00 0.00 C ATOM 483 CE LYS A 33 119.282 5.983 -8.565 1.00 0.00 C ATOM 484 NZ LYS A 33 118.422 6.769 -7.634 1.00 0.00 N ATOM 0 H LYS A 33 122.867 2.631 -8.881 1.00 0.00 H new ATOM 0 HA LYS A 33 123.792 4.868 -10.457 1.00 0.00 H new ATOM 0 HB2 LYS A 33 123.022 4.530 -7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 33 123.414 6.084 -8.227 1.00 0.00 H new ATOM 0 HG2 LYS A 33 121.613 5.754 -9.948 1.00 0.00 H new ATOM 0 HG3 LYS A 33 121.221 4.200 -9.240 1.00 0.00 H new ATOM 0 HD2 LYS A 33 120.689 5.328 -7.059 1.00 0.00 H new ATOM 0 HD3 LYS A 33 121.080 6.883 -7.768 1.00 0.00 H new ATOM 0 HE2 LYS A 33 119.305 6.459 -9.545 1.00 0.00 H new ATOM 0 HE3 LYS A 33 118.867 4.985 -8.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 117.459 6.834 -8.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 118.391 6.297 -6.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 118.815 7.725 -7.522 1.00 0.00 H new ATOM 498 N LEU A 34 125.829 3.743 -8.113 1.00 0.00 N ATOM 499 CA LEU A 34 127.262 3.821 -7.701 1.00 0.00 C ATOM 500 C LEU A 34 128.133 3.453 -8.906 1.00 0.00 C ATOM 501 O LEU A 34 129.175 4.030 -9.143 1.00 0.00 O ATOM 502 CB LEU A 34 127.529 2.852 -6.542 1.00 0.00 C ATOM 503 CG LEU A 34 126.727 3.277 -5.304 1.00 0.00 C ATOM 504 CD1 LEU A 34 126.838 2.183 -4.238 1.00 0.00 C ATOM 505 CD2 LEU A 34 127.272 4.605 -4.738 1.00 0.00 C ATOM 0 H LEU A 34 125.265 3.060 -7.607 1.00 0.00 H new ATOM 0 HA LEU A 34 127.499 4.831 -7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 34 127.253 1.839 -6.834 1.00 0.00 H new ATOM 0 HB3 LEU A 34 128.593 2.837 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 34 125.684 3.421 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU A 34 126.271 2.477 -3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 34 126.438 1.249 -4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 34 127.885 2.044 -3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 34 126.692 4.892 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 34 128.317 4.479 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 34 127.192 5.384 -5.496 1.00 0.00 H new ATOM 517 N GLU A 35 127.699 2.487 -9.661 1.00 0.00 N ATOM 518 CA GLU A 35 128.495 2.068 -10.853 1.00 0.00 C ATOM 519 C GLU A 35 128.645 3.256 -11.807 1.00 0.00 C ATOM 520 O GLU A 35 129.700 3.490 -12.363 1.00 0.00 O ATOM 521 CB GLU A 35 127.786 0.909 -11.560 1.00 0.00 C ATOM 522 CG GLU A 35 128.593 0.471 -12.784 1.00 0.00 C ATOM 523 CD GLU A 35 127.895 -0.712 -13.456 1.00 0.00 C ATOM 524 OE1 GLU A 35 126.966 -1.239 -12.865 1.00 0.00 O ATOM 525 OE2 GLU A 35 128.299 -1.070 -14.549 1.00 0.00 O ATOM 0 H GLU A 35 126.833 1.969 -9.509 1.00 0.00 H new ATOM 0 HA GLU A 35 129.485 1.738 -10.537 1.00 0.00 H new ATOM 0 HB2 GLU A 35 127.668 0.071 -10.873 1.00 0.00 H new ATOM 0 HB3 GLU A 35 126.785 1.215 -11.864 1.00 0.00 H new ATOM 0 HG2 GLU A 35 128.687 1.299 -13.487 1.00 0.00 H new ATOM 0 HG3 GLU A 35 129.603 0.190 -12.486 1.00 0.00 H new ATOM 532 N GLU A 36 127.601 4.014 -11.991 1.00 0.00 N ATOM 533 CA GLU A 36 127.684 5.196 -12.897 1.00 0.00 C ATOM 534 C GLU A 36 128.621 6.229 -12.270 1.00 0.00 C ATOM 535 O GLU A 36 129.135 7.109 -12.933 1.00 0.00 O ATOM 536 CB GLU A 36 126.288 5.796 -13.082 1.00 0.00 C ATOM 537 CG GLU A 36 126.358 6.961 -14.071 1.00 0.00 C ATOM 538 CD GLU A 36 124.940 7.435 -14.397 1.00 0.00 C ATOM 539 OE1 GLU A 36 124.004 6.790 -13.955 1.00 0.00 O ATOM 540 OE2 GLU A 36 124.814 8.435 -15.085 1.00 0.00 O ATOM 0 H GLU A 36 126.692 3.867 -11.553 1.00 0.00 H new ATOM 0 HA GLU A 36 128.070 4.897 -13.872 1.00 0.00 H new ATOM 0 HB2 GLU A 36 125.600 5.035 -13.449 1.00 0.00 H new ATOM 0 HB3 GLU A 36 125.900 6.142 -12.124 1.00 0.00 H new ATOM 0 HG2 GLU A 36 126.938 7.780 -13.645 1.00 0.00 H new ATOM 0 HG3 GLU A 36 126.868 6.649 -14.982 1.00 0.00 H new ATOM 547 N ARG A 37 128.842 6.123 -10.989 1.00 0.00 N ATOM 548 CA ARG A 37 129.742 7.092 -10.293 1.00 0.00 C ATOM 549 C ARG A 37 131.181 6.565 -10.302 1.00 0.00 C ATOM 550 O ARG A 37 132.080 7.194 -9.782 1.00 0.00 O ATOM 551 CB ARG A 37 129.277 7.276 -8.841 1.00 0.00 C ATOM 552 CG ARG A 37 127.961 8.069 -8.785 1.00 0.00 C ATOM 553 CD ARG A 37 128.235 9.574 -8.933 1.00 0.00 C ATOM 554 NE ARG A 37 126.989 10.337 -8.635 1.00 0.00 N ATOM 555 CZ ARG A 37 127.051 11.620 -8.402 1.00 0.00 C ATOM 556 NH1 ARG A 37 128.201 12.236 -8.441 1.00 0.00 N ATOM 557 NH2 ARG A 37 125.963 12.289 -8.133 1.00 0.00 N ATOM 0 H ARG A 37 128.437 5.404 -10.389 1.00 0.00 H new ATOM 0 HA ARG A 37 129.705 8.049 -10.813 1.00 0.00 H new ATOM 0 HB2 ARG A 37 129.140 6.302 -8.372 1.00 0.00 H new ATOM 0 HB3 ARG A 37 130.046 7.798 -8.272 1.00 0.00 H new ATOM 0 HG2 ARG A 37 127.294 7.735 -9.579 1.00 0.00 H new ATOM 0 HG3 ARG A 37 127.453 7.877 -7.840 1.00 0.00 H new ATOM 0 HD2 ARG A 37 129.032 9.878 -8.254 1.00 0.00 H new ATOM 0 HD3 ARG A 37 128.576 9.795 -9.944 1.00 0.00 H new ATOM 0 HE ARG A 37 126.089 9.857 -8.613 1.00 0.00 H new ATOM 0 HH11 ARG A 37 129.052 11.715 -8.654 1.00 0.00 H new ATOM 0 HH12 ARG A 37 128.249 13.238 -8.259 1.00 0.00 H new ATOM 0 HH21 ARG A 37 125.063 11.809 -8.105 1.00 0.00 H new ATOM 0 HH22 ARG A 37 126.013 13.291 -7.951 1.00 0.00 H new ATOM 571 N GLY A 38 131.415 5.430 -10.915 1.00 0.00 N ATOM 572 CA GLY A 38 132.809 4.886 -10.987 1.00 0.00 C ATOM 573 C GLY A 38 133.046 3.842 -9.894 1.00 0.00 C ATOM 574 O GLY A 38 134.113 3.779 -9.315 1.00 0.00 O ATOM 0 H GLY A 38 130.703 4.857 -11.368 1.00 0.00 H new ATOM 0 HA2 GLY A 38 132.978 4.438 -11.966 1.00 0.00 H new ATOM 0 HA3 GLY A 38 133.527 5.699 -10.880 1.00 0.00 H new ATOM 578 N PHE A 39 132.074 3.010 -9.610 1.00 0.00 N ATOM 579 CA PHE A 39 132.244 1.952 -8.563 1.00 0.00 C ATOM 580 C PHE A 39 131.732 0.622 -9.122 1.00 0.00 C ATOM 581 O PHE A 39 130.690 0.135 -8.732 1.00 0.00 O ATOM 582 CB PHE A 39 131.427 2.344 -7.335 1.00 0.00 C ATOM 583 CG PHE A 39 132.046 3.560 -6.690 1.00 0.00 C ATOM 584 CD1 PHE A 39 131.666 4.839 -7.108 1.00 0.00 C ATOM 585 CD2 PHE A 39 133.001 3.411 -5.678 1.00 0.00 C ATOM 586 CE1 PHE A 39 132.242 5.970 -6.518 1.00 0.00 C ATOM 587 CE2 PHE A 39 133.575 4.542 -5.086 1.00 0.00 C ATOM 588 CZ PHE A 39 133.197 5.822 -5.506 1.00 0.00 C ATOM 0 H PHE A 39 131.160 3.018 -10.063 1.00 0.00 H new ATOM 0 HA PHE A 39 133.293 1.851 -8.286 1.00 0.00 H new ATOM 0 HB2 PHE A 39 130.397 2.555 -7.622 1.00 0.00 H new ATOM 0 HB3 PHE A 39 131.397 1.517 -6.625 1.00 0.00 H new ATOM 0 HD1 PHE A 39 130.927 4.954 -7.887 1.00 0.00 H new ATOM 0 HD2 PHE A 39 133.295 2.424 -5.354 1.00 0.00 H new ATOM 0 HE1 PHE A 39 131.949 6.957 -6.844 1.00 0.00 H new ATOM 0 HE2 PHE A 39 134.311 4.427 -4.304 1.00 0.00 H new ATOM 0 HZ PHE A 39 133.642 6.694 -5.050 1.00 0.00 H new ATOM 598 N ASP A 40 132.446 0.040 -10.049 1.00 0.00 N ATOM 599 CA ASP A 40 131.982 -1.245 -10.646 1.00 0.00 C ATOM 600 C ASP A 40 132.342 -2.420 -9.731 1.00 0.00 C ATOM 601 O ASP A 40 131.860 -3.520 -9.915 1.00 0.00 O ATOM 602 CB ASP A 40 132.654 -1.439 -12.006 1.00 0.00 C ATOM 603 CG ASP A 40 134.173 -1.480 -11.823 1.00 0.00 C ATOM 604 OD1 ASP A 40 134.635 -1.044 -10.782 1.00 0.00 O ATOM 605 OD2 ASP A 40 134.846 -1.945 -12.728 1.00 0.00 O ATOM 0 H ASP A 40 133.327 0.398 -10.417 1.00 0.00 H new ATOM 0 HA ASP A 40 130.899 -1.210 -10.765 1.00 0.00 H new ATOM 0 HB2 ASP A 40 132.307 -2.364 -12.466 1.00 0.00 H new ATOM 0 HB3 ASP A 40 132.380 -0.626 -12.678 1.00 0.00 H new ATOM 610 N LYS A 41 133.192 -2.203 -8.754 1.00 0.00 N ATOM 611 CA LYS A 41 133.593 -3.318 -7.832 1.00 0.00 C ATOM 612 C LYS A 41 133.444 -2.861 -6.379 1.00 0.00 C ATOM 613 O LYS A 41 133.552 -1.694 -6.062 1.00 0.00 O ATOM 614 CB LYS A 41 135.053 -3.700 -8.100 1.00 0.00 C ATOM 615 CG LYS A 41 135.228 -4.166 -9.553 1.00 0.00 C ATOM 616 CD LYS A 41 134.574 -5.538 -9.763 1.00 0.00 C ATOM 617 CE LYS A 41 135.039 -6.122 -11.098 1.00 0.00 C ATOM 618 NZ LYS A 41 134.405 -7.455 -11.304 1.00 0.00 N ATOM 0 H LYS A 41 133.626 -1.302 -8.554 1.00 0.00 H new ATOM 0 HA LYS A 41 132.952 -4.182 -8.007 1.00 0.00 H new ATOM 0 HB2 LYS A 41 135.701 -2.845 -7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 41 135.359 -4.493 -7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 41 134.783 -3.437 -10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 41 136.289 -4.222 -9.797 1.00 0.00 H new ATOM 0 HD2 LYS A 41 134.841 -6.209 -8.947 1.00 0.00 H new ATOM 0 HD3 LYS A 41 133.488 -5.441 -9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 41 134.772 -5.450 -11.914 1.00 0.00 H new ATOM 0 HE3 LYS A 41 136.125 -6.218 -11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 134.721 -7.853 -12.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 134.681 -8.094 -10.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 133.370 -7.350 -11.313 1.00 0.00 H new ATOM 632 N ALA A 42 133.179 -3.787 -5.498 1.00 0.00 N ATOM 633 CA ALA A 42 132.999 -3.443 -4.057 1.00 0.00 C ATOM 634 C ALA A 42 134.301 -2.911 -3.441 1.00 0.00 C ATOM 635 O ALA A 42 134.279 -2.003 -2.635 1.00 0.00 O ATOM 636 CB ALA A 42 132.557 -4.693 -3.296 1.00 0.00 C ATOM 0 H ALA A 42 133.078 -4.778 -5.717 1.00 0.00 H new ATOM 0 HA ALA A 42 132.243 -2.662 -3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 42 132.424 -4.449 -2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 42 131.615 -5.055 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 42 133.317 -5.468 -3.396 1.00 0.00 H new ATOM 642 N TYR A 43 135.431 -3.478 -3.774 1.00 0.00 N ATOM 643 CA TYR A 43 136.705 -3.005 -3.152 1.00 0.00 C ATOM 644 C TYR A 43 136.924 -1.513 -3.429 1.00 0.00 C ATOM 645 O TYR A 43 137.663 -0.856 -2.723 1.00 0.00 O ATOM 646 CB TYR A 43 137.902 -3.830 -3.648 1.00 0.00 C ATOM 647 CG TYR A 43 138.151 -3.601 -5.119 1.00 0.00 C ATOM 648 CD1 TYR A 43 138.788 -2.432 -5.549 1.00 0.00 C ATOM 649 CD2 TYR A 43 137.761 -4.569 -6.052 1.00 0.00 C ATOM 650 CE1 TYR A 43 139.034 -2.228 -6.911 1.00 0.00 C ATOM 651 CE2 TYR A 43 138.005 -4.365 -7.415 1.00 0.00 C ATOM 652 CZ TYR A 43 138.642 -3.195 -7.844 1.00 0.00 C ATOM 653 OH TYR A 43 138.886 -2.995 -9.189 1.00 0.00 O ATOM 0 H TYR A 43 135.528 -4.241 -4.444 1.00 0.00 H new ATOM 0 HA TYR A 43 136.623 -3.145 -2.074 1.00 0.00 H new ATOM 0 HB2 TYR A 43 138.793 -3.562 -3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 43 137.717 -4.889 -3.468 1.00 0.00 H new ATOM 0 HD1 TYR A 43 139.090 -1.686 -4.829 1.00 0.00 H new ATOM 0 HD2 TYR A 43 137.272 -5.473 -5.720 1.00 0.00 H new ATOM 0 HE1 TYR A 43 139.526 -1.325 -7.242 1.00 0.00 H new ATOM 0 HE2 TYR A 43 137.702 -5.110 -8.135 1.00 0.00 H new ATOM 0 HH TYR A 43 138.552 -3.762 -9.700 1.00 0.00 H new ATOM 663 N VAL A 44 136.272 -0.954 -4.413 1.00 0.00 N ATOM 664 CA VAL A 44 136.444 0.510 -4.659 1.00 0.00 C ATOM 665 C VAL A 44 135.595 1.246 -3.620 1.00 0.00 C ATOM 666 O VAL A 44 135.929 2.316 -3.146 1.00 0.00 O ATOM 667 CB VAL A 44 135.975 0.877 -6.074 1.00 0.00 C ATOM 668 CG1 VAL A 44 136.148 2.382 -6.302 1.00 0.00 C ATOM 669 CG2 VAL A 44 136.817 0.126 -7.105 1.00 0.00 C ATOM 0 H VAL A 44 135.637 -1.437 -5.049 1.00 0.00 H new ATOM 0 HA VAL A 44 137.494 0.790 -4.575 1.00 0.00 H new ATOM 0 HB VAL A 44 134.925 0.604 -6.180 1.00 0.00 H new ATOM 0 HG11 VAL A 44 135.814 2.638 -7.307 1.00 0.00 H new ATOM 0 HG12 VAL A 44 135.554 2.931 -5.571 1.00 0.00 H new ATOM 0 HG13 VAL A 44 137.199 2.649 -6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 44 136.482 0.388 -8.109 1.00 0.00 H new ATOM 0 HG22 VAL A 44 137.865 0.401 -6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 44 136.705 -0.948 -6.954 1.00 0.00 H new ATOM 679 N VAL A 45 134.497 0.636 -3.256 1.00 0.00 N ATOM 680 CA VAL A 45 133.589 1.229 -2.236 1.00 0.00 C ATOM 681 C VAL A 45 134.230 1.024 -0.865 1.00 0.00 C ATOM 682 O VAL A 45 134.169 1.876 -0.001 1.00 0.00 O ATOM 683 CB VAL A 45 132.236 0.516 -2.286 1.00 0.00 C ATOM 684 CG1 VAL A 45 131.365 0.975 -1.115 1.00 0.00 C ATOM 685 CG2 VAL A 45 131.535 0.846 -3.607 1.00 0.00 C ATOM 0 H VAL A 45 134.189 -0.262 -3.630 1.00 0.00 H new ATOM 0 HA VAL A 45 133.434 2.291 -2.427 1.00 0.00 H new ATOM 0 HB VAL A 45 132.393 -0.560 -2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 45 130.403 0.464 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 45 131.863 0.736 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 45 131.207 2.052 -1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 45 130.571 0.339 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 45 131.381 1.923 -3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 45 132.153 0.512 -4.440 1.00 0.00 H new ATOM 695 N LEU A 46 134.879 -0.091 -0.677 1.00 0.00 N ATOM 696 CA LEU A 46 135.568 -0.353 0.614 1.00 0.00 C ATOM 697 C LEU A 46 136.606 0.753 0.806 1.00 0.00 C ATOM 698 O LEU A 46 136.838 1.231 1.898 1.00 0.00 O ATOM 699 CB LEU A 46 136.276 -1.716 0.541 1.00 0.00 C ATOM 700 CG LEU A 46 136.992 -2.035 1.869 1.00 0.00 C ATOM 701 CD1 LEU A 46 135.973 -2.439 2.945 1.00 0.00 C ATOM 702 CD2 LEU A 46 138.003 -3.171 1.645 1.00 0.00 C ATOM 0 H LEU A 46 134.961 -0.836 -1.368 1.00 0.00 H new ATOM 0 HA LEU A 46 134.860 -0.367 1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 46 135.549 -2.497 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 46 136.999 -1.712 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 46 137.518 -1.144 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 46 136.495 -2.661 3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 46 135.272 -1.620 3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 46 135.427 -3.323 2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 46 138.510 -3.397 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 46 137.480 -4.059 1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 46 138.738 -2.863 0.901 1.00 0.00 H new ATOM 714 N GLY A 47 137.240 1.145 -0.266 1.00 0.00 N ATOM 715 CA GLY A 47 138.280 2.207 -0.191 1.00 0.00 C ATOM 716 C GLY A 47 137.672 3.505 0.348 1.00 0.00 C ATOM 717 O GLY A 47 138.263 4.175 1.169 1.00 0.00 O ATOM 0 H GLY A 47 137.079 0.769 -1.200 1.00 0.00 H new ATOM 0 HA2 GLY A 47 139.095 1.883 0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 47 138.706 2.379 -1.179 1.00 0.00 H new ATOM 721 N GLN A 48 136.495 3.869 -0.096 1.00 0.00 N ATOM 722 CA GLN A 48 135.869 5.123 0.419 1.00 0.00 C ATOM 723 C GLN A 48 135.690 5.000 1.936 1.00 0.00 C ATOM 724 O GLN A 48 135.975 5.913 2.684 1.00 0.00 O ATOM 725 CB GLN A 48 134.504 5.321 -0.251 1.00 0.00 C ATOM 726 CG GLN A 48 133.891 6.657 0.186 1.00 0.00 C ATOM 727 CD GLN A 48 134.742 7.813 -0.344 1.00 0.00 C ATOM 728 OE1 GLN A 48 134.955 7.929 -1.535 1.00 0.00 O ATOM 729 NE2 GLN A 48 135.239 8.681 0.495 1.00 0.00 N ATOM 0 H GLN A 48 135.946 3.357 -0.786 1.00 0.00 H new ATOM 0 HA GLN A 48 136.505 5.979 0.194 1.00 0.00 H new ATOM 0 HB2 GLN A 48 134.616 5.301 -1.335 1.00 0.00 H new ATOM 0 HB3 GLN A 48 133.837 4.501 0.016 1.00 0.00 H new ATOM 0 HG2 GLN A 48 132.872 6.741 -0.191 1.00 0.00 H new ATOM 0 HG3 GLN A 48 133.834 6.704 1.274 1.00 0.00 H new ATOM 0 HE21 GLN A 48 135.061 8.584 1.495 1.00 0.00 H new ATOM 0 HE22 GLN A 48 135.806 9.456 0.151 1.00 0.00 H new ATOM 738 N PHE A 49 135.232 3.864 2.391 1.00 0.00 N ATOM 739 CA PHE A 49 135.038 3.649 3.857 1.00 0.00 C ATOM 740 C PHE A 49 136.384 3.812 4.570 1.00 0.00 C ATOM 741 O PHE A 49 136.474 4.389 5.635 1.00 0.00 O ATOM 742 CB PHE A 49 134.495 2.233 4.062 1.00 0.00 C ATOM 743 CG PHE A 49 134.281 1.953 5.531 1.00 0.00 C ATOM 744 CD1 PHE A 49 133.204 2.534 6.208 1.00 0.00 C ATOM 745 CD2 PHE A 49 135.154 1.093 6.210 1.00 0.00 C ATOM 746 CE1 PHE A 49 132.999 2.256 7.565 1.00 0.00 C ATOM 747 CE2 PHE A 49 134.951 0.817 7.565 1.00 0.00 C ATOM 748 CZ PHE A 49 133.873 1.397 8.243 1.00 0.00 C ATOM 0 H PHE A 49 134.981 3.068 1.805 1.00 0.00 H new ATOM 0 HA PHE A 49 134.335 4.374 4.267 1.00 0.00 H new ATOM 0 HB2 PHE A 49 133.555 2.117 3.523 1.00 0.00 H new ATOM 0 HB3 PHE A 49 135.193 1.506 3.646 1.00 0.00 H new ATOM 0 HD1 PHE A 49 132.531 3.197 5.685 1.00 0.00 H new ATOM 0 HD2 PHE A 49 135.984 0.643 5.686 1.00 0.00 H new ATOM 0 HE1 PHE A 49 132.167 2.704 8.089 1.00 0.00 H new ATOM 0 HE2 PHE A 49 135.626 0.156 8.089 1.00 0.00 H new ATOM 0 HZ PHE A 49 133.715 1.182 9.290 1.00 0.00 H new ATOM 758 N LEU A 50 137.422 3.311 3.980 1.00 0.00 N ATOM 759 CA LEU A 50 138.762 3.445 4.621 1.00 0.00 C ATOM 760 C LEU A 50 139.161 4.922 4.591 1.00 0.00 C ATOM 761 O LEU A 50 139.760 5.436 5.516 1.00 0.00 O ATOM 762 CB LEU A 50 139.794 2.611 3.854 1.00 0.00 C ATOM 763 CG LEU A 50 139.462 1.114 3.976 1.00 0.00 C ATOM 764 CD1 LEU A 50 140.407 0.314 3.072 1.00 0.00 C ATOM 765 CD2 LEU A 50 139.624 0.645 5.437 1.00 0.00 C ATOM 0 H LEU A 50 137.409 2.817 3.088 1.00 0.00 H new ATOM 0 HA LEU A 50 138.723 3.086 5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 50 139.803 2.905 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 50 140.792 2.803 4.247 1.00 0.00 H new ATOM 0 HG LEU A 50 138.429 0.951 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 50 140.177 -0.748 3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 50 140.279 0.634 2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 50 141.438 0.486 3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 50 139.386 -0.416 5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 50 140.652 0.808 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 50 138.949 1.212 6.078 1.00 0.00 H new ATOM 777 N VAL A 51 138.839 5.602 3.528 1.00 0.00 N ATOM 778 CA VAL A 51 139.194 7.047 3.410 1.00 0.00 C ATOM 779 C VAL A 51 138.392 7.881 4.421 1.00 0.00 C ATOM 780 O VAL A 51 138.832 8.925 4.861 1.00 0.00 O ATOM 781 CB VAL A 51 138.892 7.528 1.987 1.00 0.00 C ATOM 782 CG1 VAL A 51 139.029 9.053 1.909 1.00 0.00 C ATOM 783 CG2 VAL A 51 139.885 6.880 1.019 1.00 0.00 C ATOM 0 H VAL A 51 138.340 5.217 2.726 1.00 0.00 H new ATOM 0 HA VAL A 51 140.256 7.171 3.623 1.00 0.00 H new ATOM 0 HB VAL A 51 137.873 7.248 1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 51 138.813 9.386 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 51 138.326 9.517 2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 51 140.046 9.341 2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 51 139.676 7.218 0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 51 140.900 7.165 1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 51 139.786 5.796 1.068 1.00 0.00 H new ATOM 793 N LEU A 52 137.212 7.445 4.773 1.00 0.00 N ATOM 794 CA LEU A 52 136.376 8.235 5.730 1.00 0.00 C ATOM 795 C LEU A 52 136.746 7.884 7.173 1.00 0.00 C ATOM 796 O LEU A 52 136.055 8.260 8.100 1.00 0.00 O ATOM 797 CB LEU A 52 134.898 7.906 5.499 1.00 0.00 C ATOM 798 CG LEU A 52 134.462 8.378 4.105 1.00 0.00 C ATOM 799 CD1 LEU A 52 133.067 7.820 3.807 1.00 0.00 C ATOM 800 CD2 LEU A 52 134.427 9.919 4.043 1.00 0.00 C ATOM 0 H LEU A 52 136.789 6.578 4.441 1.00 0.00 H new ATOM 0 HA LEU A 52 136.556 9.297 5.563 1.00 0.00 H new ATOM 0 HB2 LEU A 52 134.738 6.832 5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 52 134.287 8.388 6.262 1.00 0.00 H new ATOM 0 HG LEU A 52 135.176 8.018 3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 52 132.747 8.149 2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 52 133.097 6.731 3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 52 132.363 8.182 4.556 1.00 0.00 H new ATOM 0 HD21 LEU A 52 134.116 10.236 3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 52 133.720 10.297 4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 52 135.420 10.314 4.256 1.00 0.00 H new ATOM 812 N LYS A 53 137.826 7.186 7.386 1.00 0.00 N ATOM 813 CA LYS A 53 138.220 6.846 8.782 1.00 0.00 C ATOM 814 C LYS A 53 137.010 6.293 9.548 1.00 0.00 C ATOM 815 O LYS A 53 136.826 6.573 10.716 1.00 0.00 O ATOM 816 CB LYS A 53 138.736 8.106 9.478 1.00 0.00 C ATOM 817 CG LYS A 53 140.035 8.560 8.809 1.00 0.00 C ATOM 818 CD LYS A 53 140.555 9.820 9.502 1.00 0.00 C ATOM 819 CE LYS A 53 141.855 10.274 8.833 1.00 0.00 C ATOM 820 NZ LYS A 53 141.618 10.480 7.376 1.00 0.00 N ATOM 0 H LYS A 53 138.450 6.838 6.658 1.00 0.00 H new ATOM 0 HA LYS A 53 139.003 6.088 8.763 1.00 0.00 H new ATOM 0 HB2 LYS A 53 137.989 8.898 9.422 1.00 0.00 H new ATOM 0 HB3 LYS A 53 138.909 7.906 10.535 1.00 0.00 H new ATOM 0 HG2 LYS A 53 140.781 7.767 8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 53 139.861 8.760 7.752 1.00 0.00 H new ATOM 0 HD2 LYS A 53 139.809 10.613 9.446 1.00 0.00 H new ATOM 0 HD3 LYS A 53 140.729 9.620 10.559 1.00 0.00 H new ATOM 0 HE2 LYS A 53 142.208 11.199 9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 53 142.634 9.527 8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 142.381 11.065 6.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 141.601 9.559 6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 140.706 10.960 7.237 1.00 0.00 H new ATOM 834 N LYS A 54 136.193 5.503 8.892 1.00 0.00 N ATOM 835 CA LYS A 54 134.991 4.896 9.546 1.00 0.00 C ATOM 836 C LYS A 54 134.043 5.989 10.061 1.00 0.00 C ATOM 837 O LYS A 54 133.210 5.732 10.907 1.00 0.00 O ATOM 838 CB LYS A 54 135.430 4.011 10.719 1.00 0.00 C ATOM 839 CG LYS A 54 136.419 2.954 10.220 1.00 0.00 C ATOM 840 CD LYS A 54 136.858 2.068 11.387 1.00 0.00 C ATOM 841 CE LYS A 54 137.856 1.022 10.885 1.00 0.00 C ATOM 842 NZ LYS A 54 137.181 0.105 9.923 1.00 0.00 N ATOM 0 H LYS A 54 136.312 5.249 7.911 1.00 0.00 H new ATOM 0 HA LYS A 54 134.464 4.293 8.806 1.00 0.00 H new ATOM 0 HB2 LYS A 54 135.894 4.621 11.495 1.00 0.00 H new ATOM 0 HB3 LYS A 54 134.562 3.529 11.169 1.00 0.00 H new ATOM 0 HG2 LYS A 54 135.955 2.346 9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 54 137.287 3.437 9.771 1.00 0.00 H new ATOM 0 HD2 LYS A 54 137.314 2.676 12.168 1.00 0.00 H new ATOM 0 HD3 LYS A 54 135.992 1.577 11.831 1.00 0.00 H new ATOM 0 HE2 LYS A 54 138.701 1.513 10.402 1.00 0.00 H new ATOM 0 HE3 LYS A 54 138.255 0.454 11.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 137.453 -0.877 10.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 136.150 0.205 10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 137.468 0.347 8.953 1.00 0.00 H new ATOM 856 N ASP A 55 134.126 7.192 9.557 1.00 0.00 N ATOM 857 CA ASP A 55 133.178 8.241 10.042 1.00 0.00 C ATOM 858 C ASP A 55 131.769 7.872 9.561 1.00 0.00 C ATOM 859 O ASP A 55 131.447 7.987 8.396 1.00 0.00 O ATOM 860 CB ASP A 55 133.582 9.607 9.482 1.00 0.00 C ATOM 861 CG ASP A 55 134.828 10.109 10.214 1.00 0.00 C ATOM 862 OD1 ASP A 55 134.911 9.895 11.413 1.00 0.00 O ATOM 863 OD2 ASP A 55 135.671 10.707 9.568 1.00 0.00 O ATOM 0 H ASP A 55 134.793 7.491 8.846 1.00 0.00 H new ATOM 0 HA ASP A 55 133.200 8.295 11.130 1.00 0.00 H new ATOM 0 HB2 ASP A 55 133.781 9.529 8.413 1.00 0.00 H new ATOM 0 HB3 ASP A 55 132.765 10.318 9.603 1.00 0.00 H new ATOM 868 N GLU A 56 130.941 7.397 10.454 1.00 0.00 N ATOM 869 CA GLU A 56 129.558 6.974 10.074 1.00 0.00 C ATOM 870 C GLU A 56 128.703 8.150 9.578 1.00 0.00 C ATOM 871 O GLU A 56 127.940 8.015 8.647 1.00 0.00 O ATOM 872 CB GLU A 56 128.892 6.346 11.302 1.00 0.00 C ATOM 873 CG GLU A 56 127.514 5.793 10.931 1.00 0.00 C ATOM 874 CD GLU A 56 126.870 5.167 12.169 1.00 0.00 C ATOM 875 OE1 GLU A 56 127.564 5.022 13.163 1.00 0.00 O ATOM 876 OE2 GLU A 56 125.698 4.836 12.102 1.00 0.00 O ATOM 0 H GLU A 56 131.166 7.282 11.442 1.00 0.00 H new ATOM 0 HA GLU A 56 129.632 6.260 9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 56 129.519 5.546 11.696 1.00 0.00 H new ATOM 0 HB3 GLU A 56 128.793 7.091 12.092 1.00 0.00 H new ATOM 0 HG2 GLU A 56 126.882 6.591 10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 56 127.609 5.048 10.141 1.00 0.00 H new ATOM 883 N ASP A 57 128.807 9.295 10.193 1.00 0.00 N ATOM 884 CA ASP A 57 127.975 10.460 9.754 1.00 0.00 C ATOM 885 C ASP A 57 128.439 10.954 8.384 1.00 0.00 C ATOM 886 O ASP A 57 127.643 11.314 7.539 1.00 0.00 O ATOM 887 CB ASP A 57 128.109 11.590 10.777 1.00 0.00 C ATOM 888 CG ASP A 57 127.402 11.188 12.073 1.00 0.00 C ATOM 889 OD1 ASP A 57 126.565 10.302 12.019 1.00 0.00 O ATOM 890 OD2 ASP A 57 127.710 11.774 13.098 1.00 0.00 O ATOM 0 H ASP A 57 129.430 9.478 10.980 1.00 0.00 H new ATOM 0 HA ASP A 57 126.933 10.148 9.682 1.00 0.00 H new ATOM 0 HB2 ASP A 57 129.161 11.796 10.973 1.00 0.00 H new ATOM 0 HB3 ASP A 57 127.673 12.507 10.381 1.00 0.00 H new ATOM 895 N LEU A 58 129.711 10.970 8.158 1.00 0.00 N ATOM 896 CA LEU A 58 130.209 11.439 6.835 1.00 0.00 C ATOM 897 C LEU A 58 129.844 10.409 5.764 1.00 0.00 C ATOM 898 O LEU A 58 129.484 10.752 4.656 1.00 0.00 O ATOM 899 CB LEU A 58 131.728 11.625 6.877 1.00 0.00 C ATOM 900 CG LEU A 58 132.094 12.816 7.775 1.00 0.00 C ATOM 901 CD1 LEU A 58 133.618 12.884 7.914 1.00 0.00 C ATOM 902 CD2 LEU A 58 131.565 14.134 7.169 1.00 0.00 C ATOM 0 H LEU A 58 130.430 10.682 8.822 1.00 0.00 H new ATOM 0 HA LEU A 58 129.746 12.396 6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 58 132.202 10.718 7.253 1.00 0.00 H new ATOM 0 HB3 LEU A 58 132.109 11.790 5.869 1.00 0.00 H new ATOM 0 HG LEU A 58 131.636 12.681 8.755 1.00 0.00 H new ATOM 0 HD11 LEU A 58 133.888 13.727 8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 58 133.984 11.960 8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 58 134.068 13.014 6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 58 131.834 14.967 7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 58 132.007 14.285 6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 58 130.480 14.082 7.076 1.00 0.00 H new ATOM 914 N PHE A 59 129.915 9.148 6.091 1.00 0.00 N ATOM 915 CA PHE A 59 129.550 8.095 5.101 1.00 0.00 C ATOM 916 C PHE A 59 128.067 8.216 4.739 1.00 0.00 C ATOM 917 O PHE A 59 127.686 8.105 3.590 1.00 0.00 O ATOM 918 CB PHE A 59 129.830 6.716 5.702 1.00 0.00 C ATOM 919 CG PHE A 59 129.363 5.633 4.753 1.00 0.00 C ATOM 920 CD1 PHE A 59 130.066 5.389 3.567 1.00 0.00 C ATOM 921 CD2 PHE A 59 128.235 4.862 5.068 1.00 0.00 C ATOM 922 CE1 PHE A 59 129.643 4.376 2.696 1.00 0.00 C ATOM 923 CE2 PHE A 59 127.811 3.852 4.196 1.00 0.00 C ATOM 924 CZ PHE A 59 128.514 3.608 3.011 1.00 0.00 C ATOM 0 H PHE A 59 130.211 8.800 7.003 1.00 0.00 H new ATOM 0 HA PHE A 59 130.146 8.223 4.197 1.00 0.00 H new ATOM 0 HB2 PHE A 59 130.897 6.605 5.897 1.00 0.00 H new ATOM 0 HB3 PHE A 59 129.319 6.617 6.660 1.00 0.00 H new ATOM 0 HD1 PHE A 59 130.935 5.982 3.323 1.00 0.00 H new ATOM 0 HD2 PHE A 59 127.693 5.047 5.984 1.00 0.00 H new ATOM 0 HE1 PHE A 59 130.187 4.187 1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 59 126.940 3.261 4.438 1.00 0.00 H new ATOM 0 HZ PHE A 59 128.187 2.828 2.339 1.00 0.00 H new ATOM 934 N ARG A 60 127.223 8.420 5.718 1.00 0.00 N ATOM 935 CA ARG A 60 125.761 8.522 5.439 1.00 0.00 C ATOM 936 C ARG A 60 125.465 9.678 4.484 1.00 0.00 C ATOM 937 O ARG A 60 124.745 9.517 3.520 1.00 0.00 O ATOM 938 CB ARG A 60 125.001 8.751 6.748 1.00 0.00 C ATOM 939 CG ARG A 60 125.017 7.476 7.592 1.00 0.00 C ATOM 940 CD ARG A 60 124.420 7.770 8.968 1.00 0.00 C ATOM 941 NE ARG A 60 123.030 8.281 8.799 1.00 0.00 N ATOM 942 CZ ARG A 60 122.219 8.322 9.821 1.00 0.00 C ATOM 943 NH1 ARG A 60 122.616 7.896 10.989 1.00 0.00 N ATOM 944 NH2 ARG A 60 121.008 8.784 9.672 1.00 0.00 N ATOM 0 H ARG A 60 127.484 8.520 6.699 1.00 0.00 H new ATOM 0 HA ARG A 60 125.438 7.590 4.975 1.00 0.00 H new ATOM 0 HB2 ARG A 60 125.456 9.571 7.304 1.00 0.00 H new ATOM 0 HB3 ARG A 60 123.973 9.043 6.535 1.00 0.00 H new ATOM 0 HG2 ARG A 60 124.446 6.691 7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 60 126.038 7.109 7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 60 124.417 6.866 9.577 1.00 0.00 H new ATOM 0 HD3 ARG A 60 125.030 8.506 9.493 1.00 0.00 H new ATOM 0 HE ARG A 60 122.712 8.599 7.883 1.00 0.00 H new ATOM 0 HH11 ARG A 60 123.561 7.530 11.104 1.00 0.00 H new ATOM 0 HH12 ARG A 60 121.981 7.929 11.787 1.00 0.00 H new ATOM 0 HH21 ARG A 60 120.696 9.112 8.758 1.00 0.00 H new ATOM 0 HH22 ARG A 60 120.373 8.817 10.470 1.00 0.00 H new ATOM 958 N GLU A 61 126.006 10.841 4.724 1.00 0.00 N ATOM 959 CA GLU A 61 125.736 11.975 3.800 1.00 0.00 C ATOM 960 C GLU A 61 126.278 11.630 2.415 1.00 0.00 C ATOM 961 O GLU A 61 125.669 11.928 1.410 1.00 0.00 O ATOM 962 CB GLU A 61 126.427 13.240 4.317 1.00 0.00 C ATOM 963 CG GLU A 61 125.728 13.728 5.586 1.00 0.00 C ATOM 964 CD GLU A 61 124.347 14.275 5.225 1.00 0.00 C ATOM 965 OE1 GLU A 61 124.195 14.757 4.115 1.00 0.00 O ATOM 966 OE2 GLU A 61 123.464 14.207 6.065 1.00 0.00 O ATOM 0 H GLU A 61 126.617 11.053 5.513 1.00 0.00 H new ATOM 0 HA GLU A 61 124.662 12.151 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 61 127.477 13.033 4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 61 126.401 14.018 3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 61 125.632 12.910 6.300 1.00 0.00 H new ATOM 0 HG3 GLU A 61 126.324 14.503 6.068 1.00 0.00 H new ATOM 973 N TRP A 62 127.419 11.009 2.354 1.00 0.00 N ATOM 974 CA TRP A 62 128.004 10.653 1.029 1.00 0.00 C ATOM 975 C TRP A 62 127.126 9.640 0.280 1.00 0.00 C ATOM 976 O TRP A 62 126.848 9.799 -0.889 1.00 0.00 O ATOM 977 CB TRP A 62 129.401 10.046 1.229 1.00 0.00 C ATOM 978 CG TRP A 62 129.894 9.482 -0.072 1.00 0.00 C ATOM 979 CD1 TRP A 62 130.516 10.189 -1.042 1.00 0.00 C ATOM 980 CD2 TRP A 62 129.789 8.114 -0.566 1.00 0.00 C ATOM 981 NE1 TRP A 62 130.808 9.342 -2.097 1.00 0.00 N ATOM 982 CE2 TRP A 62 130.380 8.051 -1.851 1.00 0.00 C ATOM 983 CE3 TRP A 62 129.249 6.930 -0.027 1.00 0.00 C ATOM 984 CZ2 TRP A 62 130.430 6.857 -2.575 1.00 0.00 C ATOM 985 CZ3 TRP A 62 129.301 5.730 -0.753 1.00 0.00 C ATOM 986 CH2 TRP A 62 129.891 5.694 -2.024 1.00 0.00 C ATOM 0 H TRP A 62 127.975 10.731 3.163 1.00 0.00 H new ATOM 0 HA TRP A 62 128.065 11.565 0.436 1.00 0.00 H new ATOM 0 HB2 TRP A 62 130.091 10.808 1.592 1.00 0.00 H new ATOM 0 HB3 TRP A 62 129.364 9.263 1.986 1.00 0.00 H new ATOM 0 HD1 TRP A 62 130.747 11.243 -1.000 1.00 0.00 H new ATOM 0 HE1 TRP A 62 131.281 9.635 -2.952 1.00 0.00 H new ATOM 0 HE3 TRP A 62 128.792 6.946 0.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 130.883 6.834 -3.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 128.884 4.828 -0.330 1.00 0.00 H new ATOM 0 HH2 TRP A 62 129.928 4.767 -2.576 1.00 0.00 H new ATOM 997 N LEU A 63 126.711 8.594 0.932 1.00 0.00 N ATOM 998 CA LEU A 63 125.882 7.568 0.234 1.00 0.00 C ATOM 999 C LEU A 63 124.505 8.129 -0.122 1.00 0.00 C ATOM 1000 O LEU A 63 124.027 7.958 -1.225 1.00 0.00 O ATOM 1001 CB LEU A 63 125.732 6.342 1.145 1.00 0.00 C ATOM 1002 CG LEU A 63 124.879 5.264 0.461 1.00 0.00 C ATOM 1003 CD1 LEU A 63 125.528 4.824 -0.863 1.00 0.00 C ATOM 1004 CD2 LEU A 63 124.765 4.058 1.400 1.00 0.00 C ATOM 0 H LEU A 63 126.907 8.402 1.914 1.00 0.00 H new ATOM 0 HA LEU A 63 126.378 7.282 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 63 126.715 5.938 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 63 125.270 6.636 2.087 1.00 0.00 H new ATOM 0 HG LEU A 63 123.891 5.670 0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 63 124.910 4.060 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 63 125.614 5.683 -1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 63 126.520 4.418 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 63 124.161 3.284 0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 63 125.760 3.665 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 63 124.293 4.366 2.333 1.00 0.00 H new ATOM 1016 N LYS A 64 123.860 8.790 0.792 1.00 0.00 N ATOM 1017 CA LYS A 64 122.514 9.349 0.484 1.00 0.00 C ATOM 1018 C LYS A 64 122.635 10.421 -0.599 1.00 0.00 C ATOM 1019 O LYS A 64 121.837 10.494 -1.513 1.00 0.00 O ATOM 1020 CB LYS A 64 121.896 9.952 1.745 1.00 0.00 C ATOM 1021 CG LYS A 64 120.431 10.296 1.465 1.00 0.00 C ATOM 1022 CD LYS A 64 119.786 10.904 2.715 1.00 0.00 C ATOM 1023 CE LYS A 64 119.812 9.895 3.876 1.00 0.00 C ATOM 1024 NZ LYS A 64 121.085 10.047 4.636 1.00 0.00 N ATOM 0 H LYS A 64 124.202 8.969 1.736 1.00 0.00 H new ATOM 0 HA LYS A 64 121.870 8.547 0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 64 121.966 9.247 2.573 1.00 0.00 H new ATOM 0 HB3 LYS A 64 122.443 10.847 2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 64 120.366 10.999 0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 64 119.889 9.399 1.166 1.00 0.00 H new ATOM 0 HD2 LYS A 64 120.317 11.812 3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 64 118.757 11.192 2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 64 118.960 10.061 4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 64 119.724 8.879 3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 121.597 9.142 4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 121.674 10.776 4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 120.874 10.329 5.614 1.00 0.00 H new ATOM 1038 N ASP A 65 123.635 11.254 -0.501 1.00 0.00 N ATOM 1039 CA ASP A 65 123.827 12.327 -1.518 1.00 0.00 C ATOM 1040 C ASP A 65 124.261 11.702 -2.843 1.00 0.00 C ATOM 1041 O ASP A 65 123.977 12.214 -3.906 1.00 0.00 O ATOM 1042 CB ASP A 65 124.910 13.301 -1.046 1.00 0.00 C ATOM 1043 CG ASP A 65 124.393 14.096 0.154 1.00 0.00 C ATOM 1044 OD1 ASP A 65 123.229 14.461 0.142 1.00 0.00 O ATOM 1045 OD2 ASP A 65 125.171 14.330 1.063 1.00 0.00 O ATOM 0 H ASP A 65 124.331 11.237 0.244 1.00 0.00 H new ATOM 0 HA ASP A 65 122.888 12.863 -1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 65 125.812 12.754 -0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 65 125.182 13.979 -1.855 1.00 0.00 H new ATOM 1050 N THR A 66 124.980 10.615 -2.782 1.00 0.00 N ATOM 1051 CA THR A 66 125.476 9.973 -4.029 1.00 0.00 C ATOM 1052 C THR A 66 124.360 9.197 -4.732 1.00 0.00 C ATOM 1053 O THR A 66 124.323 9.156 -5.945 1.00 0.00 O ATOM 1054 CB THR A 66 126.627 9.021 -3.690 1.00 0.00 C ATOM 1055 OG1 THR A 66 127.679 9.757 -3.080 1.00 0.00 O ATOM 1056 CG2 THR A 66 127.152 8.367 -4.970 1.00 0.00 C ATOM 0 H THR A 66 125.246 10.143 -1.918 1.00 0.00 H new ATOM 0 HA THR A 66 125.825 10.755 -4.703 1.00 0.00 H new ATOM 0 HB THR A 66 126.268 8.250 -3.009 1.00 0.00 H new ATOM 0 HG1 THR A 66 127.450 9.942 -2.145 1.00 0.00 H new ATOM 0 HG21 THR A 66 127.971 7.691 -4.724 1.00 0.00 H new ATOM 0 HG22 THR A 66 126.349 7.806 -5.448 1.00 0.00 H new ATOM 0 HG23 THR A 66 127.511 9.138 -5.652 1.00 0.00 H new ATOM 1064 N CYS A 67 123.467 8.549 -4.010 1.00 0.00 N ATOM 1065 CA CYS A 67 122.389 7.749 -4.682 1.00 0.00 C ATOM 1066 C CYS A 67 121.006 8.052 -4.098 1.00 0.00 C ATOM 1067 O CYS A 67 120.020 8.075 -4.809 1.00 0.00 O ATOM 1068 CB CYS A 67 122.690 6.260 -4.497 1.00 0.00 C ATOM 1069 SG CYS A 67 122.382 5.789 -2.777 1.00 0.00 S ATOM 0 H CYS A 67 123.440 8.541 -2.990 1.00 0.00 H new ATOM 0 HA CYS A 67 122.376 8.018 -5.738 1.00 0.00 H new ATOM 0 HB2 CYS A 67 122.066 5.666 -5.165 1.00 0.00 H new ATOM 0 HB3 CYS A 67 123.727 6.052 -4.762 1.00 0.00 H new ATOM 0 HG CYS A 67 123.009 6.606 -1.984 1.00 0.00 H new ATOM 1075 N GLY A 68 120.921 8.274 -2.805 1.00 0.00 N ATOM 1076 CA GLY A 68 119.596 8.566 -2.159 1.00 0.00 C ATOM 1077 C GLY A 68 119.239 7.422 -1.204 1.00 0.00 C ATOM 1078 O GLY A 68 118.097 7.255 -0.825 1.00 0.00 O ATOM 0 H GLY A 68 121.716 8.266 -2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 68 119.643 9.509 -1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 68 118.823 8.675 -2.920 1.00 0.00 H new ATOM 1082 N ALA A 69 120.203 6.630 -0.812 1.00 0.00 N ATOM 1083 CA ALA A 69 119.921 5.494 0.117 1.00 0.00 C ATOM 1084 C ALA A 69 119.197 6.002 1.365 1.00 0.00 C ATOM 1085 O ALA A 69 119.350 7.139 1.763 1.00 0.00 O ATOM 1086 CB ALA A 69 121.240 4.839 0.532 1.00 0.00 C ATOM 0 H ALA A 69 121.178 6.721 -1.097 1.00 0.00 H new ATOM 0 HA ALA A 69 119.289 4.767 -0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 69 121.037 4.010 1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 69 121.755 4.466 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 69 121.868 5.574 1.035 1.00 0.00 H new ATOM 1092 N ASN A 70 118.405 5.166 1.987 1.00 0.00 N ATOM 1093 CA ASN A 70 117.664 5.598 3.210 1.00 0.00 C ATOM 1094 C ASN A 70 118.499 5.293 4.457 1.00 0.00 C ATOM 1095 O ASN A 70 119.511 4.625 4.394 1.00 0.00 O ATOM 1096 CB ASN A 70 116.340 4.836 3.294 1.00 0.00 C ATOM 1097 CG ASN A 70 115.520 5.089 2.028 1.00 0.00 C ATOM 1098 OD1 ASN A 70 115.092 4.159 1.373 1.00 0.00 O ATOM 1099 ND2 ASN A 70 115.280 6.315 1.654 1.00 0.00 N ATOM 0 H ASN A 70 118.239 4.201 1.700 1.00 0.00 H new ATOM 0 HA ASN A 70 117.473 6.670 3.155 1.00 0.00 H new ATOM 0 HB2 ASN A 70 116.530 3.769 3.409 1.00 0.00 H new ATOM 0 HB3 ASN A 70 115.780 5.157 4.172 1.00 0.00 H new ATOM 0 HD21 ASN A 70 114.733 6.493 0.812 1.00 0.00 H new ATOM 0 HD22 ASN A 70 115.639 7.095 2.204 1.00 0.00 H new ATOM 1106 N ALA A 71 118.081 5.791 5.588 1.00 0.00 N ATOM 1107 CA ALA A 71 118.841 5.555 6.849 1.00 0.00 C ATOM 1108 C ALA A 71 118.941 4.057 7.158 1.00 0.00 C ATOM 1109 O ALA A 71 119.905 3.607 7.741 1.00 0.00 O ATOM 1110 CB ALA A 71 118.131 6.258 8.007 1.00 0.00 C ATOM 0 H ALA A 71 117.238 6.356 5.694 1.00 0.00 H new ATOM 0 HA ALA A 71 119.848 5.953 6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 71 118.684 6.087 8.930 1.00 0.00 H new ATOM 0 HB2 ALA A 71 118.080 7.328 7.807 1.00 0.00 H new ATOM 0 HB3 ALA A 71 117.121 5.860 8.110 1.00 0.00 H new ATOM 1116 N LYS A 72 117.958 3.279 6.795 1.00 0.00 N ATOM 1117 CA LYS A 72 118.030 1.819 7.107 1.00 0.00 C ATOM 1118 C LYS A 72 119.104 1.151 6.248 1.00 0.00 C ATOM 1119 O LYS A 72 119.848 0.305 6.708 1.00 0.00 O ATOM 1120 CB LYS A 72 116.671 1.173 6.826 1.00 0.00 C ATOM 1121 CG LYS A 72 116.671 -0.271 7.336 1.00 0.00 C ATOM 1122 CD LYS A 72 115.321 -0.932 7.026 1.00 0.00 C ATOM 1123 CE LYS A 72 114.190 -0.207 7.771 1.00 0.00 C ATOM 1124 NZ LYS A 72 113.054 -1.150 7.978 1.00 0.00 N ATOM 0 H LYS A 72 117.118 3.583 6.303 1.00 0.00 H new ATOM 0 HA LYS A 72 118.287 1.689 8.158 1.00 0.00 H new ATOM 0 HB2 LYS A 72 115.879 1.741 7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 72 116.463 1.191 5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 72 117.478 -0.833 6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 72 116.856 -0.287 8.410 1.00 0.00 H new ATOM 0 HD2 LYS A 72 115.134 -0.906 5.953 1.00 0.00 H new ATOM 0 HD3 LYS A 72 115.346 -1.981 7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 72 114.550 0.163 8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 72 113.859 0.660 7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 112.286 -0.663 8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 112.706 -1.483 7.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 113.376 -1.963 8.540 1.00 0.00 H new ATOM 1138 N GLN A 73 119.176 1.511 4.998 1.00 0.00 N ATOM 1139 CA GLN A 73 120.178 0.887 4.091 1.00 0.00 C ATOM 1140 C GLN A 73 121.592 1.282 4.501 1.00 0.00 C ATOM 1141 O GLN A 73 122.515 0.496 4.412 1.00 0.00 O ATOM 1142 CB GLN A 73 119.919 1.344 2.654 1.00 0.00 C ATOM 1143 CG GLN A 73 118.542 0.857 2.194 1.00 0.00 C ATOM 1144 CD GLN A 73 118.527 -0.673 2.145 1.00 0.00 C ATOM 1145 OE1 GLN A 73 119.467 -1.288 1.683 1.00 0.00 O ATOM 1146 NE2 GLN A 73 117.492 -1.317 2.613 1.00 0.00 N ATOM 0 H GLN A 73 118.580 2.215 4.563 1.00 0.00 H new ATOM 0 HA GLN A 73 120.083 -0.197 4.159 1.00 0.00 H new ATOM 0 HB2 GLN A 73 119.969 2.431 2.594 1.00 0.00 H new ATOM 0 HB3 GLN A 73 120.693 0.953 1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 73 117.772 1.216 2.876 1.00 0.00 H new ATOM 0 HG3 GLN A 73 118.311 1.264 1.210 1.00 0.00 H new ATOM 0 HE21 GLN A 73 116.703 -0.800 3.001 1.00 0.00 H new ATOM 0 HE22 GLN A 73 117.473 -2.337 2.591 1.00 0.00 H new ATOM 1155 N SER A 74 121.783 2.494 4.939 1.00 0.00 N ATOM 1156 CA SER A 74 123.147 2.928 5.334 1.00 0.00 C ATOM 1157 C SER A 74 123.601 2.165 6.580 1.00 0.00 C ATOM 1158 O SER A 74 124.758 1.816 6.708 1.00 0.00 O ATOM 1159 CB SER A 74 123.147 4.425 5.625 1.00 0.00 C ATOM 1160 OG SER A 74 124.491 4.877 5.703 1.00 0.00 O ATOM 0 H SER A 74 121.054 3.200 5.040 1.00 0.00 H new ATOM 0 HA SER A 74 123.835 2.717 4.516 1.00 0.00 H new ATOM 0 HB2 SER A 74 122.613 4.962 4.841 1.00 0.00 H new ATOM 0 HB3 SER A 74 122.626 4.627 6.561 1.00 0.00 H new ATOM 0 HG SER A 74 124.858 4.660 6.585 1.00 0.00 H new ATOM 1166 N ARG A 75 122.714 1.907 7.509 1.00 0.00 N ATOM 1167 CA ARG A 75 123.119 1.174 8.740 1.00 0.00 C ATOM 1168 C ARG A 75 123.667 -0.198 8.361 1.00 0.00 C ATOM 1169 O ARG A 75 124.613 -0.676 8.956 1.00 0.00 O ATOM 1170 CB ARG A 75 121.909 0.999 9.657 1.00 0.00 C ATOM 1171 CG ARG A 75 121.506 2.353 10.244 1.00 0.00 C ATOM 1172 CD ARG A 75 120.170 2.210 10.972 1.00 0.00 C ATOM 1173 NE ARG A 75 120.271 1.113 11.976 1.00 0.00 N ATOM 1174 CZ ARG A 75 119.366 0.992 12.906 1.00 0.00 C ATOM 1175 NH1 ARG A 75 118.363 1.827 12.954 1.00 0.00 N ATOM 1176 NH2 ARG A 75 119.462 0.035 13.788 1.00 0.00 N ATOM 0 H ARG A 75 121.730 2.173 7.465 1.00 0.00 H new ATOM 0 HA ARG A 75 123.889 1.744 9.260 1.00 0.00 H new ATOM 0 HB2 ARG A 75 121.076 0.572 9.098 1.00 0.00 H new ATOM 0 HB3 ARG A 75 122.147 0.300 10.459 1.00 0.00 H new ATOM 0 HG2 ARG A 75 122.273 2.706 10.933 1.00 0.00 H new ATOM 0 HG3 ARG A 75 121.423 3.096 9.451 1.00 0.00 H new ATOM 0 HD2 ARG A 75 119.909 3.147 11.465 1.00 0.00 H new ATOM 0 HD3 ARG A 75 119.375 1.993 10.258 1.00 0.00 H new ATOM 0 HE ARG A 75 121.050 0.456 11.935 1.00 0.00 H new ATOM 0 HH11 ARG A 75 118.288 2.574 12.264 1.00 0.00 H new ATOM 0 HH12 ARG A 75 117.655 1.732 13.682 1.00 0.00 H new ATOM 0 HH21 ARG A 75 120.245 -0.618 13.749 1.00 0.00 H new ATOM 0 HH22 ARG A 75 118.754 -0.060 14.516 1.00 0.00 H new ATOM 1190 N ASP A 76 123.084 -0.854 7.398 1.00 0.00 N ATOM 1191 CA ASP A 76 123.568 -2.206 7.012 1.00 0.00 C ATOM 1192 C ASP A 76 124.963 -2.120 6.396 1.00 0.00 C ATOM 1193 O ASP A 76 125.807 -2.955 6.650 1.00 0.00 O ATOM 1194 CB ASP A 76 122.603 -2.821 5.996 1.00 0.00 C ATOM 1195 CG ASP A 76 121.283 -3.167 6.686 1.00 0.00 C ATOM 1196 OD1 ASP A 76 121.286 -3.291 7.899 1.00 0.00 O ATOM 1197 OD2 ASP A 76 120.290 -3.299 5.989 1.00 0.00 O ATOM 0 H ASP A 76 122.289 -0.509 6.860 1.00 0.00 H new ATOM 0 HA ASP A 76 123.615 -2.829 7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 76 122.425 -2.122 5.179 1.00 0.00 H new ATOM 0 HB3 ASP A 76 123.042 -3.718 5.559 1.00 0.00 H new ATOM 1202 N CYS A 77 125.227 -1.129 5.588 1.00 0.00 N ATOM 1203 CA CYS A 77 126.579 -1.024 4.971 1.00 0.00 C ATOM 1204 C CYS A 77 127.628 -0.680 6.033 1.00 0.00 C ATOM 1205 O CYS A 77 128.735 -1.181 5.996 1.00 0.00 O ATOM 1206 CB CYS A 77 126.564 0.080 3.913 1.00 0.00 C ATOM 1207 SG CYS A 77 125.573 -0.447 2.495 1.00 0.00 S ATOM 0 H CYS A 77 124.570 -0.393 5.330 1.00 0.00 H new ATOM 0 HA CYS A 77 126.833 -1.982 4.517 1.00 0.00 H new ATOM 0 HB2 CYS A 77 126.152 0.996 4.336 1.00 0.00 H new ATOM 0 HB3 CYS A 77 127.582 0.305 3.594 1.00 0.00 H new ATOM 0 HG CYS A 77 125.392 -1.733 2.546 1.00 0.00 H new ATOM 1213 N PHE A 78 127.319 0.187 6.961 1.00 0.00 N ATOM 1214 CA PHE A 78 128.346 0.553 7.978 1.00 0.00 C ATOM 1215 C PHE A 78 128.777 -0.685 8.761 1.00 0.00 C ATOM 1216 O PHE A 78 129.934 -1.057 8.764 1.00 0.00 O ATOM 1217 CB PHE A 78 127.762 1.593 8.935 1.00 0.00 C ATOM 1218 CG PHE A 78 128.790 1.948 9.981 1.00 0.00 C ATOM 1219 CD1 PHE A 78 129.692 2.993 9.750 1.00 0.00 C ATOM 1220 CD2 PHE A 78 128.836 1.237 11.187 1.00 0.00 C ATOM 1221 CE1 PHE A 78 130.641 3.327 10.723 1.00 0.00 C ATOM 1222 CE2 PHE A 78 129.785 1.571 12.160 1.00 0.00 C ATOM 1223 CZ PHE A 78 130.687 2.616 11.928 1.00 0.00 C ATOM 0 H PHE A 78 126.416 0.650 7.058 1.00 0.00 H new ATOM 0 HA PHE A 78 129.218 0.969 7.473 1.00 0.00 H new ATOM 0 HB2 PHE A 78 127.466 2.485 8.383 1.00 0.00 H new ATOM 0 HB3 PHE A 78 126.864 1.200 9.411 1.00 0.00 H new ATOM 0 HD1 PHE A 78 129.656 3.542 8.821 1.00 0.00 H new ATOM 0 HD2 PHE A 78 128.139 0.431 11.366 1.00 0.00 H new ATOM 0 HE1 PHE A 78 131.337 4.133 10.544 1.00 0.00 H new ATOM 0 HE2 PHE A 78 129.821 1.023 13.090 1.00 0.00 H new ATOM 0 HZ PHE A 78 131.419 2.874 12.679 1.00 0.00 H new ATOM 1233 N GLY A 79 127.863 -1.321 9.435 1.00 0.00 N ATOM 1234 CA GLY A 79 128.225 -2.528 10.227 1.00 0.00 C ATOM 1235 C GLY A 79 128.809 -3.600 9.305 1.00 0.00 C ATOM 1236 O GLY A 79 129.655 -4.377 9.696 1.00 0.00 O ATOM 0 H GLY A 79 126.878 -1.057 9.472 1.00 0.00 H new ATOM 0 HA2 GLY A 79 128.950 -2.264 10.997 1.00 0.00 H new ATOM 0 HA3 GLY A 79 127.344 -2.916 10.738 1.00 0.00 H new ATOM 1240 N CYS A 80 128.365 -3.649 8.084 1.00 0.00 N ATOM 1241 CA CYS A 80 128.904 -4.679 7.153 1.00 0.00 C ATOM 1242 C CYS A 80 130.362 -4.363 6.811 1.00 0.00 C ATOM 1243 O CYS A 80 131.229 -5.208 6.932 1.00 0.00 O ATOM 1244 CB CYS A 80 128.073 -4.695 5.872 1.00 0.00 C ATOM 1245 SG CYS A 80 128.667 -6.016 4.786 1.00 0.00 S ATOM 0 H CYS A 80 127.658 -3.027 7.691 1.00 0.00 H new ATOM 0 HA CYS A 80 128.853 -5.656 7.634 1.00 0.00 H new ATOM 0 HB2 CYS A 80 127.021 -4.851 6.110 1.00 0.00 H new ATOM 0 HB3 CYS A 80 128.146 -3.732 5.366 1.00 0.00 H new ATOM 0 HG CYS A 80 129.967 -6.029 4.789 1.00 0.00 H new ATOM 1251 N LEU A 81 130.653 -3.159 6.397 1.00 0.00 N ATOM 1252 CA LEU A 81 132.071 -2.832 6.075 1.00 0.00 C ATOM 1253 C LEU A 81 132.895 -2.768 7.367 1.00 0.00 C ATOM 1254 O LEU A 81 134.024 -3.215 7.415 1.00 0.00 O ATOM 1255 CB LEU A 81 132.136 -1.472 5.371 1.00 0.00 C ATOM 1256 CG LEU A 81 131.324 -1.503 4.069 1.00 0.00 C ATOM 1257 CD1 LEU A 81 131.394 -0.125 3.402 1.00 0.00 C ATOM 1258 CD2 LEU A 81 131.890 -2.569 3.112 1.00 0.00 C ATOM 0 H LEU A 81 129.983 -2.400 6.270 1.00 0.00 H new ATOM 0 HA LEU A 81 132.476 -3.605 5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 81 131.748 -0.695 6.030 1.00 0.00 H new ATOM 0 HB3 LEU A 81 133.173 -1.217 5.154 1.00 0.00 H new ATOM 0 HG LEU A 81 130.288 -1.753 4.298 1.00 0.00 H new ATOM 0 HD11 LEU A 81 130.819 -0.139 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 81 130.980 0.626 4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 81 132.433 0.120 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 81 131.305 -2.580 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 81 132.928 -2.334 2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 81 131.838 -3.549 3.587 1.00 0.00 H new ATOM 1270 N ARG A 82 132.345 -2.206 8.413 1.00 0.00 N ATOM 1271 CA ARG A 82 133.105 -2.101 9.696 1.00 0.00 C ATOM 1272 C ARG A 82 133.440 -3.493 10.241 1.00 0.00 C ATOM 1273 O ARG A 82 134.530 -3.730 10.724 1.00 0.00 O ATOM 1274 CB ARG A 82 132.267 -1.337 10.728 1.00 0.00 C ATOM 1275 CG ARG A 82 133.046 -1.228 12.046 1.00 0.00 C ATOM 1276 CD ARG A 82 132.248 -0.406 13.057 1.00 0.00 C ATOM 1277 NE ARG A 82 132.944 -0.444 14.374 1.00 0.00 N ATOM 1278 CZ ARG A 82 132.637 0.417 15.304 1.00 0.00 C ATOM 1279 NH1 ARG A 82 131.728 1.326 15.078 1.00 0.00 N ATOM 1280 NH2 ARG A 82 133.242 0.372 16.459 1.00 0.00 N ATOM 0 H ARG A 82 131.403 -1.815 8.435 1.00 0.00 H new ATOM 0 HA ARG A 82 134.036 -1.566 9.506 1.00 0.00 H new ATOM 0 HB2 ARG A 82 132.028 -0.342 10.352 1.00 0.00 H new ATOM 0 HB3 ARG A 82 131.320 -1.851 10.895 1.00 0.00 H new ATOM 0 HG2 ARG A 82 133.241 -2.223 12.446 1.00 0.00 H new ATOM 0 HG3 ARG A 82 134.015 -0.761 11.868 1.00 0.00 H new ATOM 0 HD2 ARG A 82 132.152 0.624 12.712 1.00 0.00 H new ATOM 0 HD3 ARG A 82 131.239 -0.806 13.153 1.00 0.00 H new ATOM 0 HE ARG A 82 133.663 -1.146 14.549 1.00 0.00 H new ATOM 0 HH11 ARG A 82 131.258 1.363 14.174 1.00 0.00 H new ATOM 0 HH12 ARG A 82 131.488 1.999 15.806 1.00 0.00 H new ATOM 0 HH21 ARG A 82 133.955 -0.336 16.634 1.00 0.00 H new ATOM 0 HH22 ARG A 82 133.002 1.045 17.187 1.00 0.00 H new ATOM 1294 N GLU A 83 132.516 -4.410 10.185 1.00 0.00 N ATOM 1295 CA GLU A 83 132.788 -5.776 10.719 1.00 0.00 C ATOM 1296 C GLU A 83 133.793 -6.513 9.827 1.00 0.00 C ATOM 1297 O GLU A 83 134.626 -7.249 10.314 1.00 0.00 O ATOM 1298 CB GLU A 83 131.476 -6.559 10.825 1.00 0.00 C ATOM 1299 CG GLU A 83 130.627 -5.970 11.956 1.00 0.00 C ATOM 1300 CD GLU A 83 129.263 -6.661 11.985 1.00 0.00 C ATOM 1301 OE1 GLU A 83 129.002 -7.452 11.095 1.00 0.00 O ATOM 1302 OE2 GLU A 83 128.503 -6.387 12.899 1.00 0.00 O ATOM 0 H GLU A 83 131.584 -4.274 9.793 1.00 0.00 H new ATOM 0 HA GLU A 83 133.226 -5.689 11.713 1.00 0.00 H new ATOM 0 HB2 GLU A 83 130.932 -6.509 9.882 1.00 0.00 H new ATOM 0 HB3 GLU A 83 131.682 -7.612 11.019 1.00 0.00 H new ATOM 0 HG2 GLU A 83 131.134 -6.103 12.912 1.00 0.00 H new ATOM 0 HG3 GLU A 83 130.500 -4.898 11.809 1.00 0.00 H new ATOM 1309 N TRP A 84 133.750 -6.327 8.534 1.00 0.00 N ATOM 1310 CA TRP A 84 134.736 -7.026 7.661 1.00 0.00 C ATOM 1311 C TRP A 84 136.137 -6.603 8.105 1.00 0.00 C ATOM 1312 O TRP A 84 137.055 -7.398 8.162 1.00 0.00 O ATOM 1313 CB TRP A 84 134.510 -6.627 6.199 1.00 0.00 C ATOM 1314 CG TRP A 84 135.362 -7.477 5.309 1.00 0.00 C ATOM 1315 CD1 TRP A 84 134.969 -8.649 4.758 1.00 0.00 C ATOM 1316 CD2 TRP A 84 136.733 -7.255 4.861 1.00 0.00 C ATOM 1317 NE1 TRP A 84 136.007 -9.156 3.997 1.00 0.00 N ATOM 1318 CE2 TRP A 84 137.113 -8.335 4.031 1.00 0.00 C ATOM 1319 CE3 TRP A 84 137.675 -6.234 5.088 1.00 0.00 C ATOM 1320 CZ2 TRP A 84 138.377 -8.404 3.446 1.00 0.00 C ATOM 1321 CZ3 TRP A 84 138.952 -6.300 4.500 1.00 0.00 C ATOM 1322 CH2 TRP A 84 139.301 -7.384 3.681 1.00 0.00 C ATOM 0 H TRP A 84 133.082 -5.728 8.049 1.00 0.00 H new ATOM 0 HA TRP A 84 134.621 -8.107 7.745 1.00 0.00 H new ATOM 0 HB2 TRP A 84 133.459 -6.748 5.937 1.00 0.00 H new ATOM 0 HB3 TRP A 84 134.755 -5.574 6.057 1.00 0.00 H new ATOM 0 HD1 TRP A 84 134.003 -9.113 4.891 1.00 0.00 H new ATOM 0 HE1 TRP A 84 135.959 -10.031 3.475 1.00 0.00 H new ATOM 0 HE3 TRP A 84 137.416 -5.395 5.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 138.639 -9.241 2.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 139.667 -5.511 4.680 1.00 0.00 H new ATOM 0 HH2 TRP A 84 140.283 -7.430 3.233 1.00 0.00 H new ATOM 1333 N CYS A 85 136.296 -5.350 8.432 1.00 0.00 N ATOM 1334 CA CYS A 85 137.628 -4.865 8.893 1.00 0.00 C ATOM 1335 C CYS A 85 138.014 -5.613 10.172 1.00 0.00 C ATOM 1336 O CYS A 85 139.151 -5.993 10.369 1.00 0.00 O ATOM 1337 CB CYS A 85 137.548 -3.364 9.187 1.00 0.00 C ATOM 1338 SG CYS A 85 137.464 -2.444 7.632 1.00 0.00 S ATOM 0 H CYS A 85 135.563 -4.642 8.400 1.00 0.00 H new ATOM 0 HA CYS A 85 138.375 -5.044 8.120 1.00 0.00 H new ATOM 0 HB2 CYS A 85 136.670 -3.149 9.796 1.00 0.00 H new ATOM 0 HB3 CYS A 85 138.419 -3.049 9.761 1.00 0.00 H new ATOM 0 HG CYS A 85 136.255 -2.503 7.158 1.00 0.00 H new ATOM 1344 N ASP A 86 137.062 -5.829 11.038 1.00 0.00 N ATOM 1345 CA ASP A 86 137.341 -6.553 12.311 1.00 0.00 C ATOM 1346 C ASP A 86 137.839 -7.973 12.020 1.00 0.00 C ATOM 1347 O ASP A 86 138.687 -8.493 12.718 1.00 0.00 O ATOM 1348 CB ASP A 86 136.065 -6.619 13.153 1.00 0.00 C ATOM 1349 CG ASP A 86 135.728 -5.222 13.678 1.00 0.00 C ATOM 1350 OD1 ASP A 86 136.621 -4.391 13.710 1.00 0.00 O ATOM 1351 OD2 ASP A 86 134.582 -5.006 14.038 1.00 0.00 O ATOM 0 H ASP A 86 136.094 -5.532 10.917 1.00 0.00 H new ATOM 0 HA ASP A 86 138.114 -6.015 12.859 1.00 0.00 H new ATOM 0 HB2 ASP A 86 135.240 -7.002 12.553 1.00 0.00 H new ATOM 0 HB3 ASP A 86 136.201 -7.309 13.986 1.00 0.00 H new ATOM 1356 N ALA A 87 137.304 -8.617 11.015 1.00 0.00 N ATOM 1357 CA ALA A 87 137.731 -10.019 10.710 1.00 0.00 C ATOM 1358 C ALA A 87 138.950 -10.021 9.791 1.00 0.00 C ATOM 1359 O ALA A 87 139.838 -10.838 9.937 1.00 0.00 O ATOM 1360 CB ALA A 87 136.584 -10.762 10.020 1.00 0.00 C ATOM 0 H ALA A 87 136.592 -8.235 10.393 1.00 0.00 H new ATOM 0 HA ALA A 87 137.991 -10.515 11.645 1.00 0.00 H new ATOM 0 HB1 ALA A 87 136.894 -11.783 9.797 1.00 0.00 H new ATOM 0 HB2 ALA A 87 135.715 -10.782 10.678 1.00 0.00 H new ATOM 0 HB3 ALA A 87 136.325 -10.251 9.093 1.00 0.00 H new ATOM 1366 N PHE A 88 138.988 -9.144 8.819 1.00 0.00 N ATOM 1367 CA PHE A 88 140.138 -9.131 7.863 1.00 0.00 C ATOM 1368 C PHE A 88 141.080 -7.972 8.186 1.00 0.00 C ATOM 1369 O PHE A 88 142.053 -8.139 8.895 1.00 0.00 O ATOM 1370 CB PHE A 88 139.599 -8.970 6.440 1.00 0.00 C ATOM 1371 CG PHE A 88 138.795 -10.194 6.069 1.00 0.00 C ATOM 1372 CD1 PHE A 88 139.439 -11.317 5.536 1.00 0.00 C ATOM 1373 CD2 PHE A 88 137.406 -10.210 6.264 1.00 0.00 C ATOM 1374 CE1 PHE A 88 138.698 -12.456 5.196 1.00 0.00 C ATOM 1375 CE2 PHE A 88 136.664 -11.352 5.924 1.00 0.00 C ATOM 1376 CZ PHE A 88 137.311 -12.472 5.390 1.00 0.00 C ATOM 0 H PHE A 88 138.273 -8.437 8.646 1.00 0.00 H new ATOM 0 HA PHE A 88 140.690 -10.067 7.950 1.00 0.00 H new ATOM 0 HB2 PHE A 88 138.976 -8.078 6.374 1.00 0.00 H new ATOM 0 HB3 PHE A 88 140.423 -8.836 5.740 1.00 0.00 H new ATOM 0 HD1 PHE A 88 140.509 -11.305 5.387 1.00 0.00 H new ATOM 0 HD2 PHE A 88 136.908 -9.344 6.675 1.00 0.00 H new ATOM 0 HE1 PHE A 88 139.196 -13.321 4.784 1.00 0.00 H new ATOM 0 HE2 PHE A 88 135.595 -11.366 6.074 1.00 0.00 H new ATOM 0 HZ PHE A 88 136.740 -13.350 5.127 1.00 0.00 H new ATOM 1386 N LEU A 89 140.817 -6.799 7.672 1.00 0.00 N ATOM 1387 CA LEU A 89 141.718 -5.640 7.950 1.00 0.00 C ATOM 1388 C LEU A 89 141.335 -5.014 9.291 1.00 0.00 C ATOM 1389 O LEU A 89 141.994 -5.314 10.273 1.00 0.00 O ATOM 1390 CB LEU A 89 141.567 -4.605 6.821 1.00 0.00 C ATOM 1391 CG LEU A 89 142.262 -3.282 7.192 1.00 0.00 C ATOM 1392 CD1 LEU A 89 143.718 -3.546 7.585 1.00 0.00 C ATOM 1393 CD2 LEU A 89 142.227 -2.332 5.985 1.00 0.00 C ATOM 1394 OXT LEU A 89 140.390 -4.246 9.314 1.00 0.00 O ATOM 0 H LEU A 89 140.018 -6.593 7.072 1.00 0.00 H new ATOM 0 HA LEU A 89 142.755 -5.974 7.996 1.00 0.00 H new ATOM 0 HB2 LEU A 89 141.996 -5.000 5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 89 140.510 -4.423 6.628 1.00 0.00 H new ATOM 0 HG LEU A 89 141.740 -2.829 8.035 1.00 0.00 H new ATOM 0 HD11 LEU A 89 144.201 -2.604 7.846 1.00 0.00 H new ATOM 0 HD12 LEU A 89 143.747 -4.218 8.442 1.00 0.00 H new ATOM 0 HD13 LEU A 89 144.244 -4.004 6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 89 142.719 -1.395 6.245 1.00 0.00 H new ATOM 0 HD22 LEU A 89 142.746 -2.793 5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 89 141.192 -2.134 5.708 1.00 0.00 H new TER 1406 LEU A 89 ATOM 1407 N MET B 1 168.013 -4.901 -5.896 1.00 0.00 N ATOM 1408 CA MET B 1 167.360 -6.234 -6.035 1.00 0.00 C ATOM 1409 C MET B 1 166.848 -6.699 -4.669 1.00 0.00 C ATOM 1410 O MET B 1 165.966 -7.530 -4.579 1.00 0.00 O ATOM 1411 CB MET B 1 168.374 -7.247 -6.573 1.00 0.00 C ATOM 1412 CG MET B 1 169.516 -7.413 -5.568 1.00 0.00 C ATOM 1413 SD MET B 1 170.853 -8.377 -6.322 1.00 0.00 S ATOM 1414 CE MET B 1 170.046 -9.997 -6.265 1.00 0.00 C ATOM 0 H1 MET B 1 168.478 -4.647 -6.791 1.00 0.00 H new ATOM 0 H2 MET B 1 167.295 -4.185 -5.664 1.00 0.00 H new ATOM 0 H3 MET B 1 168.722 -4.939 -5.136 1.00 0.00 H new ATOM 0 HA MET B 1 166.522 -6.156 -6.728 1.00 0.00 H new ATOM 0 HB2 MET B 1 167.887 -8.207 -6.747 1.00 0.00 H new ATOM 0 HB3 MET B 1 168.766 -6.910 -7.532 1.00 0.00 H new ATOM 0 HG2 MET B 1 169.888 -6.436 -5.260 1.00 0.00 H new ATOM 0 HG3 MET B 1 169.154 -7.914 -4.670 1.00 0.00 H new ATOM 0 HE1 MET B 1 170.787 -10.779 -6.434 1.00 0.00 H new ATOM 0 HE2 MET B 1 169.584 -10.139 -5.288 1.00 0.00 H new ATOM 0 HE3 MET B 1 169.280 -10.050 -7.039 1.00 0.00 H new ATOM 1426 N THR B 2 167.400 -6.170 -3.604 1.00 0.00 N ATOM 1427 CA THR B 2 166.957 -6.575 -2.230 1.00 0.00 C ATOM 1428 C THR B 2 166.096 -5.466 -1.617 1.00 0.00 C ATOM 1429 O THR B 2 166.535 -4.345 -1.451 1.00 0.00 O ATOM 1430 CB THR B 2 168.192 -6.814 -1.353 1.00 0.00 C ATOM 1431 OG1 THR B 2 167.778 -7.189 -0.047 1.00 0.00 O ATOM 1432 CG2 THR B 2 169.039 -5.537 -1.273 1.00 0.00 C ATOM 0 H THR B 2 168.143 -5.471 -3.626 1.00 0.00 H new ATOM 0 HA THR B 2 166.368 -7.490 -2.291 1.00 0.00 H new ATOM 0 HB THR B 2 168.792 -7.611 -1.793 1.00 0.00 H new ATOM 0 HG1 THR B 2 168.566 -7.344 0.514 1.00 0.00 H new ATOM 0 HG21 THR B 2 169.913 -5.719 -0.648 1.00 0.00 H new ATOM 0 HG22 THR B 2 169.362 -5.251 -2.274 1.00 0.00 H new ATOM 0 HG23 THR B 2 168.444 -4.732 -0.840 1.00 0.00 H new ATOM 1440 N THR B 3 164.870 -5.769 -1.284 1.00 0.00 N ATOM 1441 CA THR B 3 163.978 -4.736 -0.685 1.00 0.00 C ATOM 1442 C THR B 3 164.264 -4.606 0.814 1.00 0.00 C ATOM 1443 O THR B 3 164.817 -5.495 1.430 1.00 0.00 O ATOM 1444 CB THR B 3 162.516 -5.147 -0.881 1.00 0.00 C ATOM 1445 OG1 THR B 3 162.280 -6.379 -0.214 1.00 0.00 O ATOM 1446 CG2 THR B 3 162.223 -5.310 -2.372 1.00 0.00 C ATOM 0 H THR B 3 164.447 -6.690 -1.402 1.00 0.00 H new ATOM 0 HA THR B 3 164.163 -3.780 -1.175 1.00 0.00 H new ATOM 0 HB THR B 3 161.864 -4.377 -0.468 1.00 0.00 H new ATOM 0 HG1 THR B 3 161.344 -6.643 -0.337 1.00 0.00 H new ATOM 0 HG21 THR B 3 161.182 -5.603 -2.508 1.00 0.00 H new ATOM 0 HG22 THR B 3 162.404 -4.365 -2.884 1.00 0.00 H new ATOM 0 HG23 THR B 3 162.873 -6.079 -2.789 1.00 0.00 H new ATOM 1454 N SER B 4 163.881 -3.508 1.405 1.00 0.00 N ATOM 1455 CA SER B 4 164.116 -3.316 2.864 1.00 0.00 C ATOM 1456 C SER B 4 163.204 -4.260 3.651 1.00 0.00 C ATOM 1457 O SER B 4 162.221 -4.765 3.146 1.00 0.00 O ATOM 1458 CB SER B 4 163.806 -1.869 3.248 1.00 0.00 C ATOM 1459 OG SER B 4 162.407 -1.644 3.140 1.00 0.00 O ATOM 0 H SER B 4 163.413 -2.732 0.938 1.00 0.00 H new ATOM 0 HA SER B 4 165.158 -3.535 3.097 1.00 0.00 H new ATOM 0 HB2 SER B 4 164.140 -1.671 4.266 1.00 0.00 H new ATOM 0 HB3 SER B 4 164.348 -1.184 2.596 1.00 0.00 H new ATOM 0 HG SER B 4 162.205 -0.718 3.387 1.00 0.00 H new ATOM 1465 N GLN B 5 163.546 -4.511 4.885 1.00 0.00 N ATOM 1466 CA GLN B 5 162.736 -5.433 5.728 1.00 0.00 C ATOM 1467 C GLN B 5 161.302 -4.913 5.869 1.00 0.00 C ATOM 1468 O GLN B 5 160.385 -5.671 6.114 1.00 0.00 O ATOM 1469 CB GLN B 5 163.376 -5.548 7.114 1.00 0.00 C ATOM 1470 CG GLN B 5 162.613 -6.578 7.953 1.00 0.00 C ATOM 1471 CD GLN B 5 163.255 -6.690 9.335 1.00 0.00 C ATOM 1472 OE1 GLN B 5 162.633 -7.153 10.271 1.00 0.00 O ATOM 1473 NE2 GLN B 5 164.483 -6.283 9.506 1.00 0.00 N ATOM 0 H GLN B 5 164.362 -4.112 5.349 1.00 0.00 H new ATOM 0 HA GLN B 5 162.707 -6.412 5.250 1.00 0.00 H new ATOM 0 HB2 GLN B 5 164.421 -5.844 7.019 1.00 0.00 H new ATOM 0 HB3 GLN B 5 163.364 -4.579 7.612 1.00 0.00 H new ATOM 0 HG2 GLN B 5 161.568 -6.282 8.049 1.00 0.00 H new ATOM 0 HG3 GLN B 5 162.625 -7.548 7.456 1.00 0.00 H new ATOM 0 HE21 GLN B 5 165.005 -5.894 8.721 1.00 0.00 H new ATOM 0 HE22 GLN B 5 164.920 -6.354 10.425 1.00 0.00 H new ATOM 1482 N LYS B 6 161.093 -3.629 5.728 1.00 0.00 N ATOM 1483 CA LYS B 6 159.717 -3.072 5.864 1.00 0.00 C ATOM 1484 C LYS B 6 158.804 -3.688 4.807 1.00 0.00 C ATOM 1485 O LYS B 6 157.649 -3.967 5.060 1.00 0.00 O ATOM 1486 CB LYS B 6 159.771 -1.559 5.657 1.00 0.00 C ATOM 1487 CG LYS B 6 160.478 -0.910 6.844 1.00 0.00 C ATOM 1488 CD LYS B 6 160.533 0.607 6.640 1.00 0.00 C ATOM 1489 CE LYS B 6 161.241 1.262 7.829 1.00 0.00 C ATOM 1490 NZ LYS B 6 161.710 2.621 7.437 1.00 0.00 N ATOM 0 H LYS B 6 161.819 -2.942 5.524 1.00 0.00 H new ATOM 0 HA LYS B 6 159.328 -3.302 6.856 1.00 0.00 H new ATOM 0 HB2 LYS B 6 160.300 -1.326 4.733 1.00 0.00 H new ATOM 0 HB3 LYS B 6 158.762 -1.158 5.557 1.00 0.00 H new ATOM 0 HG2 LYS B 6 159.949 -1.144 7.768 1.00 0.00 H new ATOM 0 HG3 LYS B 6 161.487 -1.311 6.943 1.00 0.00 H new ATOM 0 HD2 LYS B 6 161.062 0.840 5.716 1.00 0.00 H new ATOM 0 HD3 LYS B 6 159.524 1.007 6.540 1.00 0.00 H new ATOM 0 HE2 LYS B 6 160.561 1.331 8.679 1.00 0.00 H new ATOM 0 HE3 LYS B 6 162.086 0.651 8.145 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 162.191 3.068 8.243 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 162.372 2.543 6.639 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 160.895 3.202 7.155 1.00 0.00 H new ATOM 1504 N HIS B 7 159.297 -3.882 3.618 1.00 0.00 N ATOM 1505 CA HIS B 7 158.434 -4.457 2.551 1.00 0.00 C ATOM 1506 C HIS B 7 157.902 -5.819 2.984 1.00 0.00 C ATOM 1507 O HIS B 7 156.719 -6.076 2.914 1.00 0.00 O ATOM 1508 CB HIS B 7 159.255 -4.607 1.265 1.00 0.00 C ATOM 1509 CG HIS B 7 158.457 -5.344 0.220 1.00 0.00 C ATOM 1510 ND1 HIS B 7 157.537 -4.709 -0.604 1.00 0.00 N ATOM 1511 CD2 HIS B 7 158.442 -6.666 -0.152 1.00 0.00 C ATOM 1512 CE1 HIS B 7 157.013 -5.643 -1.423 1.00 0.00 C ATOM 1513 NE2 HIS B 7 157.532 -6.849 -1.187 1.00 0.00 N ATOM 0 H HIS B 7 160.255 -3.669 3.339 1.00 0.00 H new ATOM 0 HA HIS B 7 157.590 -3.791 2.372 1.00 0.00 H new ATOM 0 HB2 HIS B 7 159.539 -3.624 0.890 1.00 0.00 H new ATOM 0 HB3 HIS B 7 160.178 -5.147 1.475 1.00 0.00 H new ATOM 0 HD2 HIS B 7 159.045 -7.444 0.292 1.00 0.00 H new ATOM 0 HE1 HIS B 7 156.266 -5.440 -2.176 1.00 0.00 H new ATOM 0 HE2 HIS B 7 157.308 -7.722 -1.665 1.00 0.00 H new ATOM 1521 N ARG B 8 158.761 -6.695 3.442 1.00 0.00 N ATOM 1522 CA ARG B 8 158.305 -8.039 3.885 1.00 0.00 C ATOM 1523 C ARG B 8 157.498 -7.924 5.177 1.00 0.00 C ATOM 1524 O ARG B 8 156.581 -8.679 5.410 1.00 0.00 O ATOM 1525 CB ARG B 8 159.521 -8.934 4.117 1.00 0.00 C ATOM 1526 CG ARG B 8 160.167 -9.266 2.771 1.00 0.00 C ATOM 1527 CD ARG B 8 161.385 -10.163 2.998 1.00 0.00 C ATOM 1528 NE ARG B 8 162.370 -9.451 3.860 1.00 0.00 N ATOM 1529 CZ ARG B 8 163.335 -10.116 4.432 1.00 0.00 C ATOM 1530 NH1 ARG B 8 163.440 -11.403 4.244 1.00 0.00 N ATOM 1531 NH2 ARG B 8 164.195 -9.495 5.192 1.00 0.00 N ATOM 0 H ARG B 8 159.764 -6.531 3.527 1.00 0.00 H new ATOM 0 HA ARG B 8 157.671 -8.473 3.112 1.00 0.00 H new ATOM 0 HB2 ARG B 8 160.239 -8.431 4.764 1.00 0.00 H new ATOM 0 HB3 ARG B 8 159.221 -9.850 4.626 1.00 0.00 H new ATOM 0 HG2 ARG B 8 159.448 -9.768 2.124 1.00 0.00 H new ATOM 0 HG3 ARG B 8 160.467 -8.349 2.263 1.00 0.00 H new ATOM 0 HD2 ARG B 8 161.080 -11.097 3.470 1.00 0.00 H new ATOM 0 HD3 ARG B 8 161.842 -10.423 2.043 1.00 0.00 H new ATOM 0 HE ARG B 8 162.290 -8.444 4.003 1.00 0.00 H new ATOM 0 HH11 ARG B 8 162.768 -11.888 3.650 1.00 0.00 H new ATOM 0 HH12 ARG B 8 164.195 -11.924 4.691 1.00 0.00 H new ATOM 0 HH21 ARG B 8 164.113 -8.489 5.339 1.00 0.00 H new ATOM 0 HH22 ARG B 8 164.950 -10.016 5.639 1.00 0.00 H new ATOM 1545 N ASP B 9 157.829 -6.985 6.019 1.00 0.00 N ATOM 1546 CA ASP B 9 157.073 -6.839 7.294 1.00 0.00 C ATOM 1547 C ASP B 9 155.629 -6.486 6.965 1.00 0.00 C ATOM 1548 O ASP B 9 154.697 -6.943 7.595 1.00 0.00 O ATOM 1549 CB ASP B 9 157.664 -5.699 8.126 1.00 0.00 C ATOM 1550 CG ASP B 9 159.041 -6.094 8.659 1.00 0.00 C ATOM 1551 OD1 ASP B 9 159.342 -7.276 8.655 1.00 0.00 O ATOM 1552 OD2 ASP B 9 159.767 -5.204 9.071 1.00 0.00 O ATOM 0 H ASP B 9 158.586 -6.316 5.881 1.00 0.00 H new ATOM 0 HA ASP B 9 157.131 -7.772 7.855 1.00 0.00 H new ATOM 0 HB2 ASP B 9 157.746 -4.799 7.517 1.00 0.00 H new ATOM 0 HB3 ASP B 9 156.999 -5.462 8.956 1.00 0.00 H new ATOM 1557 N PHE B 10 155.450 -5.649 5.991 1.00 0.00 N ATOM 1558 CA PHE B 10 154.077 -5.230 5.624 1.00 0.00 C ATOM 1559 C PHE B 10 153.256 -6.451 5.179 1.00 0.00 C ATOM 1560 O PHE B 10 152.173 -6.691 5.671 1.00 0.00 O ATOM 1561 CB PHE B 10 154.179 -4.223 4.476 1.00 0.00 C ATOM 1562 CG PHE B 10 152.880 -3.466 4.338 1.00 0.00 C ATOM 1563 CD1 PHE B 10 152.476 -2.599 5.359 1.00 0.00 C ATOM 1564 CD2 PHE B 10 152.088 -3.622 3.193 1.00 0.00 C ATOM 1565 CE1 PHE B 10 151.278 -1.887 5.237 1.00 0.00 C ATOM 1566 CE2 PHE B 10 150.890 -2.909 3.071 1.00 0.00 C ATOM 1567 CZ PHE B 10 150.486 -2.041 4.094 1.00 0.00 C ATOM 0 H PHE B 10 156.196 -5.236 5.432 1.00 0.00 H new ATOM 0 HA PHE B 10 153.580 -4.776 6.481 1.00 0.00 H new ATOM 0 HB2 PHE B 10 154.997 -3.527 4.663 1.00 0.00 H new ATOM 0 HB3 PHE B 10 154.408 -4.742 3.545 1.00 0.00 H new ATOM 0 HD1 PHE B 10 153.088 -2.480 6.241 1.00 0.00 H new ATOM 0 HD2 PHE B 10 152.401 -4.291 2.406 1.00 0.00 H new ATOM 0 HE1 PHE B 10 150.965 -1.218 6.025 1.00 0.00 H new ATOM 0 HE2 PHE B 10 150.278 -3.028 2.189 1.00 0.00 H new ATOM 0 HZ PHE B 10 149.562 -1.490 4.000 1.00 0.00 H new ATOM 1577 N VAL B 11 153.763 -7.217 4.248 1.00 0.00 N ATOM 1578 CA VAL B 11 153.016 -8.420 3.751 1.00 0.00 C ATOM 1579 C VAL B 11 153.329 -9.673 4.580 1.00 0.00 C ATOM 1580 O VAL B 11 152.868 -10.752 4.261 1.00 0.00 O ATOM 1581 CB VAL B 11 153.417 -8.693 2.298 1.00 0.00 C ATOM 1582 CG1 VAL B 11 152.985 -7.517 1.393 1.00 0.00 C ATOM 1583 CG2 VAL B 11 154.941 -8.878 2.224 1.00 0.00 C ATOM 0 H VAL B 11 154.669 -7.063 3.805 1.00 0.00 H new ATOM 0 HA VAL B 11 151.951 -8.206 3.836 1.00 0.00 H new ATOM 0 HB VAL B 11 152.919 -9.598 1.950 1.00 0.00 H new ATOM 0 HG11 VAL B 11 153.276 -7.724 0.363 1.00 0.00 H new ATOM 0 HG12 VAL B 11 151.903 -7.395 1.447 1.00 0.00 H new ATOM 0 HG13 VAL B 11 153.471 -6.601 1.730 1.00 0.00 H new ATOM 0 HG21 VAL B 11 155.234 -9.073 1.192 1.00 0.00 H new ATOM 0 HG22 VAL B 11 155.435 -7.973 2.577 1.00 0.00 H new ATOM 0 HG23 VAL B 11 155.236 -9.720 2.850 1.00 0.00 H new ATOM 1593 N ALA B 12 154.080 -9.552 5.642 1.00 0.00 N ATOM 1594 CA ALA B 12 154.384 -10.756 6.486 1.00 0.00 C ATOM 1595 C ALA B 12 153.460 -10.768 7.697 1.00 0.00 C ATOM 1596 O ALA B 12 153.234 -11.789 8.316 1.00 0.00 O ATOM 1597 CB ALA B 12 155.834 -10.719 6.958 1.00 0.00 C ATOM 0 H ALA B 12 154.497 -8.679 5.965 1.00 0.00 H new ATOM 0 HA ALA B 12 154.228 -11.655 5.890 1.00 0.00 H new ATOM 0 HB1 ALA B 12 156.040 -11.598 7.569 1.00 0.00 H new ATOM 0 HB2 ALA B 12 156.498 -10.714 6.094 1.00 0.00 H new ATOM 0 HB3 ALA B 12 156.001 -9.819 7.549 1.00 0.00 H new ATOM 1603 N GLU B 13 152.919 -9.633 8.035 1.00 0.00 N ATOM 1604 CA GLU B 13 152.002 -9.549 9.204 1.00 0.00 C ATOM 1605 C GLU B 13 150.970 -8.449 8.934 1.00 0.00 C ATOM 1606 O GLU B 13 151.254 -7.506 8.223 1.00 0.00 O ATOM 1607 CB GLU B 13 152.814 -9.203 10.457 1.00 0.00 C ATOM 1608 CG GLU B 13 153.789 -8.065 10.143 1.00 0.00 C ATOM 1609 CD GLU B 13 154.447 -7.585 11.439 1.00 0.00 C ATOM 1610 OE1 GLU B 13 153.730 -7.391 12.406 1.00 0.00 O ATOM 1611 OE2 GLU B 13 155.656 -7.424 11.442 1.00 0.00 O ATOM 0 H GLU B 13 153.074 -8.751 7.547 1.00 0.00 H new ATOM 0 HA GLU B 13 151.495 -10.501 9.359 1.00 0.00 H new ATOM 0 HB2 GLU B 13 152.145 -8.909 11.266 1.00 0.00 H new ATOM 0 HB3 GLU B 13 153.362 -10.080 10.800 1.00 0.00 H new ATOM 0 HG2 GLU B 13 154.550 -8.407 9.441 1.00 0.00 H new ATOM 0 HG3 GLU B 13 153.261 -7.241 9.664 1.00 0.00 H new ATOM 1618 N PRO B 14 149.788 -8.544 9.496 1.00 0.00 N ATOM 1619 CA PRO B 14 148.742 -7.507 9.290 1.00 0.00 C ATOM 1620 C PRO B 14 149.347 -6.100 9.332 1.00 0.00 C ATOM 1621 O PRO B 14 150.415 -5.897 9.875 1.00 0.00 O ATOM 1622 CB PRO B 14 147.787 -7.732 10.470 1.00 0.00 C ATOM 1623 CG PRO B 14 147.900 -9.193 10.790 1.00 0.00 C ATOM 1624 CD PRO B 14 149.318 -9.629 10.380 1.00 0.00 C ATOM 0 HA PRO B 14 148.249 -7.584 8.321 1.00 0.00 H new ATOM 0 HB2 PRO B 14 148.067 -7.118 11.326 1.00 0.00 H new ATOM 0 HB3 PRO B 14 146.764 -7.464 10.206 1.00 0.00 H new ATOM 0 HG2 PRO B 14 147.733 -9.370 11.852 1.00 0.00 H new ATOM 0 HG3 PRO B 14 147.147 -9.767 10.249 1.00 0.00 H new ATOM 0 HD2 PRO B 14 149.966 -9.744 11.249 1.00 0.00 H new ATOM 0 HD3 PRO B 14 149.306 -10.588 9.862 1.00 0.00 H new ATOM 1632 N MET B 15 148.684 -5.125 8.771 1.00 0.00 N ATOM 1633 CA MET B 15 149.248 -3.744 8.798 1.00 0.00 C ATOM 1634 C MET B 15 148.804 -3.056 10.089 1.00 0.00 C ATOM 1635 O MET B 15 149.442 -2.143 10.573 1.00 0.00 O ATOM 1636 CB MET B 15 148.747 -2.953 7.583 1.00 0.00 C ATOM 1637 CG MET B 15 147.261 -3.245 7.349 1.00 0.00 C ATOM 1638 SD MET B 15 146.553 -1.961 6.284 1.00 0.00 S ATOM 1639 CE MET B 15 147.067 -2.645 4.687 1.00 0.00 C ATOM 0 H MET B 15 147.785 -5.222 8.299 1.00 0.00 H new ATOM 0 HA MET B 15 150.336 -3.788 8.761 1.00 0.00 H new ATOM 0 HB2 MET B 15 148.896 -1.886 7.746 1.00 0.00 H new ATOM 0 HB3 MET B 15 149.324 -3.224 6.699 1.00 0.00 H new ATOM 0 HG2 MET B 15 147.140 -4.224 6.885 1.00 0.00 H new ATOM 0 HG3 MET B 15 146.731 -3.276 8.301 1.00 0.00 H new ATOM 0 HE1 MET B 15 147.308 -1.831 4.003 1.00 0.00 H new ATOM 0 HE2 MET B 15 147.946 -3.274 4.827 1.00 0.00 H new ATOM 0 HE3 MET B 15 146.256 -3.242 4.269 1.00 0.00 H new ATOM 1649 N GLY B 16 147.718 -3.506 10.658 1.00 0.00 N ATOM 1650 CA GLY B 16 147.224 -2.905 11.927 1.00 0.00 C ATOM 1651 C GLY B 16 147.159 -1.383 11.805 1.00 0.00 C ATOM 1652 O GLY B 16 146.770 -0.843 10.787 1.00 0.00 O ATOM 0 H GLY B 16 147.149 -4.270 10.294 1.00 0.00 H new ATOM 0 HA2 GLY B 16 146.236 -3.300 12.164 1.00 0.00 H new ATOM 0 HA3 GLY B 16 147.883 -3.183 12.749 1.00 0.00 H new ATOM 1656 N GLU B 17 147.510 -0.689 12.857 1.00 0.00 N ATOM 1657 CA GLU B 17 147.444 0.805 12.853 1.00 0.00 C ATOM 1658 C GLU B 17 148.847 1.398 12.706 1.00 0.00 C ATOM 1659 O GLU B 17 149.126 2.476 13.194 1.00 0.00 O ATOM 1660 CB GLU B 17 146.831 1.269 14.175 1.00 0.00 C ATOM 1661 CG GLU B 17 145.382 0.781 14.256 1.00 0.00 C ATOM 1662 CD GLU B 17 144.758 1.240 15.575 1.00 0.00 C ATOM 1663 OE1 GLU B 17 145.493 1.727 16.418 1.00 0.00 O ATOM 1664 OE2 GLU B 17 143.555 1.096 15.721 1.00 0.00 O ATOM 0 H GLU B 17 147.844 -1.098 13.730 1.00 0.00 H new ATOM 0 HA GLU B 17 146.834 1.140 12.014 1.00 0.00 H new ATOM 0 HB2 GLU B 17 147.407 0.878 15.014 1.00 0.00 H new ATOM 0 HB3 GLU B 17 146.866 2.356 14.244 1.00 0.00 H new ATOM 0 HG2 GLU B 17 144.809 1.172 13.415 1.00 0.00 H new ATOM 0 HG3 GLU B 17 145.350 -0.306 14.186 1.00 0.00 H new ATOM 1671 N LYS B 18 149.735 0.712 12.040 1.00 0.00 N ATOM 1672 CA LYS B 18 151.110 1.261 11.876 1.00 0.00 C ATOM 1673 C LYS B 18 150.999 2.607 11.136 1.00 0.00 C ATOM 1674 O LYS B 18 150.100 2.804 10.345 1.00 0.00 O ATOM 1675 CB LYS B 18 151.965 0.282 11.062 1.00 0.00 C ATOM 1676 CG LYS B 18 152.276 -0.963 11.906 1.00 0.00 C ATOM 1677 CD LYS B 18 153.411 -1.757 11.253 1.00 0.00 C ATOM 1678 CE LYS B 18 153.005 -2.173 9.837 1.00 0.00 C ATOM 1679 NZ LYS B 18 153.903 -3.262 9.364 1.00 0.00 N ATOM 0 H LYS B 18 149.570 -0.196 11.606 1.00 0.00 H new ATOM 0 HA LYS B 18 151.582 1.404 12.848 1.00 0.00 H new ATOM 0 HB2 LYS B 18 151.438 -0.006 10.153 1.00 0.00 H new ATOM 0 HB3 LYS B 18 152.892 0.764 10.753 1.00 0.00 H new ATOM 0 HG2 LYS B 18 152.560 -0.668 12.916 1.00 0.00 H new ATOM 0 HG3 LYS B 18 151.386 -1.587 11.994 1.00 0.00 H new ATOM 0 HD2 LYS B 18 154.317 -1.152 11.218 1.00 0.00 H new ATOM 0 HD3 LYS B 18 153.640 -2.640 11.850 1.00 0.00 H new ATOM 0 HE2 LYS B 18 151.969 -2.512 9.829 1.00 0.00 H new ATOM 0 HE3 LYS B 18 153.066 -1.318 9.164 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 153.628 -3.545 8.402 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 154.886 -2.923 9.357 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 153.823 -4.080 10.002 1.00 0.00 H new ATOM 1693 N PRO B 19 151.879 3.542 11.419 1.00 0.00 N ATOM 1694 CA PRO B 19 151.836 4.903 10.797 1.00 0.00 C ATOM 1695 C PRO B 19 152.100 4.895 9.285 1.00 0.00 C ATOM 1696 O PRO B 19 152.745 4.015 8.751 1.00 0.00 O ATOM 1697 CB PRO B 19 152.929 5.689 11.546 1.00 0.00 C ATOM 1698 CG PRO B 19 153.865 4.647 12.071 1.00 0.00 C ATOM 1699 CD PRO B 19 153.011 3.411 12.356 1.00 0.00 C ATOM 0 HA PRO B 19 150.843 5.344 10.888 1.00 0.00 H new ATOM 0 HB2 PRO B 19 153.443 6.382 10.880 1.00 0.00 H new ATOM 0 HB3 PRO B 19 152.504 6.282 12.356 1.00 0.00 H new ATOM 0 HG2 PRO B 19 154.645 4.422 11.343 1.00 0.00 H new ATOM 0 HG3 PRO B 19 154.364 4.993 12.976 1.00 0.00 H new ATOM 0 HD2 PRO B 19 153.569 2.491 12.183 1.00 0.00 H new ATOM 0 HD3 PRO B 19 152.672 3.389 13.392 1.00 0.00 H new ATOM 1707 N VAL B 20 151.583 5.884 8.604 1.00 0.00 N ATOM 1708 CA VAL B 20 151.766 5.979 7.130 1.00 0.00 C ATOM 1709 C VAL B 20 153.247 5.830 6.763 1.00 0.00 C ATOM 1710 O VAL B 20 153.590 5.329 5.711 1.00 0.00 O ATOM 1711 CB VAL B 20 151.246 7.342 6.655 1.00 0.00 C ATOM 1712 CG1 VAL B 20 151.854 8.449 7.518 1.00 0.00 C ATOM 1713 CG2 VAL B 20 151.634 7.570 5.190 1.00 0.00 C ATOM 0 H VAL B 20 151.034 6.639 9.015 1.00 0.00 H new ATOM 0 HA VAL B 20 151.210 5.177 6.644 1.00 0.00 H new ATOM 0 HB VAL B 20 150.160 7.360 6.745 1.00 0.00 H new ATOM 0 HG11 VAL B 20 151.485 9.418 7.181 1.00 0.00 H new ATOM 0 HG12 VAL B 20 151.571 8.295 8.559 1.00 0.00 H new ATOM 0 HG13 VAL B 20 152.940 8.424 7.430 1.00 0.00 H new ATOM 0 HG21 VAL B 20 151.261 8.540 4.861 1.00 0.00 H new ATOM 0 HG22 VAL B 20 152.719 7.547 5.093 1.00 0.00 H new ATOM 0 HG23 VAL B 20 151.198 6.785 4.572 1.00 0.00 H new ATOM 1723 N GLY B 21 154.129 6.285 7.621 1.00 0.00 N ATOM 1724 CA GLY B 21 155.589 6.200 7.330 1.00 0.00 C ATOM 1725 C GLY B 21 156.061 4.746 7.396 1.00 0.00 C ATOM 1726 O GLY B 21 157.203 4.448 7.108 1.00 0.00 O ATOM 0 H GLY B 21 153.895 6.714 8.516 1.00 0.00 H new ATOM 0 HA2 GLY B 21 155.794 6.611 6.342 1.00 0.00 H new ATOM 0 HA3 GLY B 21 156.145 6.803 8.048 1.00 0.00 H new ATOM 1730 N SER B 22 155.204 3.836 7.770 1.00 0.00 N ATOM 1731 CA SER B 22 155.626 2.407 7.843 1.00 0.00 C ATOM 1732 C SER B 22 155.528 1.776 6.451 1.00 0.00 C ATOM 1733 O SER B 22 156.117 0.750 6.183 1.00 0.00 O ATOM 1734 CB SER B 22 154.710 1.654 8.808 1.00 0.00 C ATOM 1735 OG SER B 22 154.700 2.320 10.064 1.00 0.00 O ATOM 0 H SER B 22 154.234 4.018 8.027 1.00 0.00 H new ATOM 0 HA SER B 22 156.655 2.349 8.198 1.00 0.00 H new ATOM 0 HB2 SER B 22 153.699 1.603 8.403 1.00 0.00 H new ATOM 0 HB3 SER B 22 155.057 0.628 8.930 1.00 0.00 H new ATOM 0 HG SER B 22 155.024 1.711 10.760 1.00 0.00 H new ATOM 1741 N LEU B 23 154.781 2.380 5.565 1.00 0.00 N ATOM 1742 CA LEU B 23 154.640 1.809 4.195 1.00 0.00 C ATOM 1743 C LEU B 23 155.997 1.807 3.492 1.00 0.00 C ATOM 1744 O LEU B 23 156.728 2.777 3.514 1.00 0.00 O ATOM 1745 CB LEU B 23 153.655 2.655 3.382 1.00 0.00 C ATOM 1746 CG LEU B 23 152.246 2.552 3.982 1.00 0.00 C ATOM 1747 CD1 LEU B 23 151.336 3.578 3.301 1.00 0.00 C ATOM 1748 CD2 LEU B 23 151.674 1.136 3.775 1.00 0.00 C ATOM 0 H LEU B 23 154.263 3.243 5.731 1.00 0.00 H new ATOM 0 HA LEU B 23 154.269 0.787 4.274 1.00 0.00 H new ATOM 0 HB2 LEU B 23 153.979 3.696 3.373 1.00 0.00 H new ATOM 0 HB3 LEU B 23 153.643 2.316 2.346 1.00 0.00 H new ATOM 0 HG LEU B 23 152.298 2.752 5.052 1.00 0.00 H new ATOM 0 HD11 LEU B 23 150.333 3.511 3.722 1.00 0.00 H new ATOM 0 HD12 LEU B 23 151.732 4.580 3.464 1.00 0.00 H new ATOM 0 HD13 LEU B 23 151.295 3.374 2.231 1.00 0.00 H new ATOM 0 HD21 LEU B 23 150.675 1.081 4.206 1.00 0.00 H new ATOM 0 HD22 LEU B 23 151.621 0.917 2.708 1.00 0.00 H new ATOM 0 HD23 LEU B 23 152.321 0.407 4.263 1.00 0.00 H new ATOM 1760 N ALA B 24 156.331 0.715 2.868 1.00 0.00 N ATOM 1761 CA ALA B 24 157.635 0.630 2.157 1.00 0.00 C ATOM 1762 C ALA B 24 157.669 1.642 1.005 1.00 0.00 C ATOM 1763 O ALA B 24 156.733 1.767 0.241 1.00 0.00 O ATOM 1764 CB ALA B 24 157.810 -0.791 1.607 1.00 0.00 C ATOM 0 H ALA B 24 155.755 -0.126 2.819 1.00 0.00 H new ATOM 0 HA ALA B 24 158.446 0.859 2.849 1.00 0.00 H new ATOM 0 HB1 ALA B 24 158.763 -0.864 1.084 1.00 0.00 H new ATOM 0 HB2 ALA B 24 157.793 -1.505 2.431 1.00 0.00 H new ATOM 0 HB3 ALA B 24 156.998 -1.016 0.915 1.00 0.00 H new ATOM 1770 N GLY B 25 158.752 2.363 0.891 1.00 0.00 N ATOM 1771 CA GLY B 25 158.883 3.383 -0.198 1.00 0.00 C ATOM 1772 C GLY B 25 158.611 4.777 0.372 1.00 0.00 C ATOM 1773 O GLY B 25 159.002 5.776 -0.200 1.00 0.00 O ATOM 0 H GLY B 25 159.560 2.291 1.509 1.00 0.00 H new ATOM 0 HA2 GLY B 25 159.883 3.344 -0.629 1.00 0.00 H new ATOM 0 HA3 GLY B 25 158.181 3.164 -1.002 1.00 0.00 H new ATOM 1777 N ILE B 26 157.956 4.855 1.501 1.00 0.00 N ATOM 1778 CA ILE B 26 157.668 6.186 2.120 1.00 0.00 C ATOM 1779 C ILE B 26 158.702 6.446 3.217 1.00 0.00 C ATOM 1780 O ILE B 26 158.787 5.705 4.176 1.00 0.00 O ATOM 1781 CB ILE B 26 156.273 6.167 2.747 1.00 0.00 C ATOM 1782 CG1 ILE B 26 155.247 5.667 1.719 1.00 0.00 C ATOM 1783 CG2 ILE B 26 155.898 7.577 3.207 1.00 0.00 C ATOM 1784 CD1 ILE B 26 155.339 6.486 0.426 1.00 0.00 C ATOM 0 H ILE B 26 157.606 4.052 2.024 1.00 0.00 H new ATOM 0 HA ILE B 26 157.714 6.966 1.360 1.00 0.00 H new ATOM 0 HB ILE B 26 156.274 5.496 3.606 1.00 0.00 H new ATOM 0 HG12 ILE B 26 155.424 4.614 1.502 1.00 0.00 H new ATOM 0 HG13 ILE B 26 154.242 5.743 2.133 1.00 0.00 H new ATOM 0 HG21 ILE B 26 154.904 7.562 3.653 1.00 0.00 H new ATOM 0 HG22 ILE B 26 156.622 7.924 3.945 1.00 0.00 H new ATOM 0 HG23 ILE B 26 155.901 8.252 2.351 1.00 0.00 H new ATOM 0 HD11 ILE B 26 154.605 6.118 -0.291 1.00 0.00 H new ATOM 0 HD12 ILE B 26 155.138 7.535 0.645 1.00 0.00 H new ATOM 0 HD13 ILE B 26 156.339 6.388 0.004 1.00 0.00 H new ATOM 1796 N GLY B 27 159.489 7.486 3.103 1.00 0.00 N ATOM 1797 CA GLY B 27 160.505 7.773 4.159 1.00 0.00 C ATOM 1798 C GLY B 27 159.903 8.713 5.209 1.00 0.00 C ATOM 1799 O GLY B 27 158.778 9.156 5.089 1.00 0.00 O ATOM 0 H GLY B 27 159.472 8.147 2.326 1.00 0.00 H new ATOM 0 HA2 GLY B 27 160.827 6.844 4.630 1.00 0.00 H new ATOM 0 HA3 GLY B 27 161.389 8.228 3.713 1.00 0.00 H new ATOM 1803 N GLU B 28 160.635 8.991 6.253 1.00 0.00 N ATOM 1804 CA GLU B 28 160.095 9.873 7.332 1.00 0.00 C ATOM 1805 C GLU B 28 159.696 11.245 6.775 1.00 0.00 C ATOM 1806 O GLU B 28 158.693 11.806 7.167 1.00 0.00 O ATOM 1807 CB GLU B 28 161.163 10.062 8.410 1.00 0.00 C ATOM 1808 CG GLU B 28 161.362 8.752 9.172 1.00 0.00 C ATOM 1809 CD GLU B 28 162.455 8.936 10.226 1.00 0.00 C ATOM 1810 OE1 GLU B 28 163.000 10.024 10.302 1.00 0.00 O ATOM 1811 OE2 GLU B 28 162.730 7.985 10.939 1.00 0.00 O ATOM 0 H GLU B 28 161.583 8.647 6.407 1.00 0.00 H new ATOM 0 HA GLU B 28 159.209 9.398 7.753 1.00 0.00 H new ATOM 0 HB2 GLU B 28 162.102 10.375 7.954 1.00 0.00 H new ATOM 0 HB3 GLU B 28 160.863 10.852 9.098 1.00 0.00 H new ATOM 0 HG2 GLU B 28 160.429 8.451 9.649 1.00 0.00 H new ATOM 0 HG3 GLU B 28 161.638 7.955 8.481 1.00 0.00 H new ATOM 1818 N VAL B 29 160.465 11.802 5.880 1.00 0.00 N ATOM 1819 CA VAL B 29 160.101 13.145 5.336 1.00 0.00 C ATOM 1820 C VAL B 29 158.837 13.025 4.480 1.00 0.00 C ATOM 1821 O VAL B 29 157.958 13.865 4.525 1.00 0.00 O ATOM 1822 CB VAL B 29 161.259 13.683 4.486 1.00 0.00 C ATOM 1823 CG1 VAL B 29 160.819 14.944 3.736 1.00 0.00 C ATOM 1824 CG2 VAL B 29 162.442 14.022 5.395 1.00 0.00 C ATOM 0 H VAL B 29 161.320 11.393 5.504 1.00 0.00 H new ATOM 0 HA VAL B 29 159.911 13.834 6.159 1.00 0.00 H new ATOM 0 HB VAL B 29 161.554 12.922 3.764 1.00 0.00 H new ATOM 0 HG11 VAL B 29 161.648 15.318 3.136 1.00 0.00 H new ATOM 0 HG12 VAL B 29 159.978 14.705 3.085 1.00 0.00 H new ATOM 0 HG13 VAL B 29 160.517 15.707 4.453 1.00 0.00 H new ATOM 0 HG21 VAL B 29 163.266 14.404 4.792 1.00 0.00 H new ATOM 0 HG22 VAL B 29 162.140 14.779 6.119 1.00 0.00 H new ATOM 0 HG23 VAL B 29 162.764 13.124 5.922 1.00 0.00 H new ATOM 1834 N LEU B 30 158.748 11.992 3.691 1.00 0.00 N ATOM 1835 CA LEU B 30 157.558 11.813 2.814 1.00 0.00 C ATOM 1836 C LEU B 30 156.325 11.543 3.676 1.00 0.00 C ATOM 1837 O LEU B 30 155.235 11.992 3.380 1.00 0.00 O ATOM 1838 CB LEU B 30 157.796 10.628 1.871 1.00 0.00 C ATOM 1839 CG LEU B 30 159.036 10.885 1.001 1.00 0.00 C ATOM 1840 CD1 LEU B 30 159.252 9.690 0.068 1.00 0.00 C ATOM 1841 CD2 LEU B 30 158.851 12.166 0.165 1.00 0.00 C ATOM 0 H LEU B 30 159.453 11.259 3.615 1.00 0.00 H new ATOM 0 HA LEU B 30 157.397 12.718 2.228 1.00 0.00 H new ATOM 0 HB2 LEU B 30 157.932 9.714 2.450 1.00 0.00 H new ATOM 0 HB3 LEU B 30 156.922 10.477 1.237 1.00 0.00 H new ATOM 0 HG LEU B 30 159.904 11.013 1.648 1.00 0.00 H new ATOM 0 HD11 LEU B 30 160.131 9.867 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU B 30 159.402 8.788 0.661 1.00 0.00 H new ATOM 0 HD13 LEU B 30 158.377 9.564 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU B 30 159.738 12.333 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU B 30 157.981 12.056 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU B 30 158.703 13.016 0.830 1.00 0.00 H new ATOM 1853 N GLY B 31 156.488 10.810 4.739 1.00 0.00 N ATOM 1854 CA GLY B 31 155.325 10.509 5.621 1.00 0.00 C ATOM 1855 C GLY B 31 154.737 11.814 6.164 1.00 0.00 C ATOM 1856 O GLY B 31 153.537 11.967 6.273 1.00 0.00 O ATOM 0 H GLY B 31 157.376 10.405 5.037 1.00 0.00 H new ATOM 0 HA2 GLY B 31 154.566 9.961 5.063 1.00 0.00 H new ATOM 0 HA3 GLY B 31 155.638 9.869 6.446 1.00 0.00 H new ATOM 1860 N LYS B 32 155.573 12.751 6.519 1.00 0.00 N ATOM 1861 CA LYS B 32 155.068 14.042 7.071 1.00 0.00 C ATOM 1862 C LYS B 32 154.230 14.790 6.026 1.00 0.00 C ATOM 1863 O LYS B 32 153.233 15.400 6.355 1.00 0.00 O ATOM 1864 CB LYS B 32 156.252 14.917 7.499 1.00 0.00 C ATOM 1865 CG LYS B 32 155.738 16.223 8.121 1.00 0.00 C ATOM 1866 CD LYS B 32 156.923 17.091 8.547 1.00 0.00 C ATOM 1867 CE LYS B 32 156.403 18.392 9.165 1.00 0.00 C ATOM 1868 NZ LYS B 32 157.546 19.183 9.699 1.00 0.00 N ATOM 0 H LYS B 32 156.588 12.678 6.451 1.00 0.00 H new ATOM 0 HA LYS B 32 154.437 13.826 7.933 1.00 0.00 H new ATOM 0 HB2 LYS B 32 156.871 14.380 8.218 1.00 0.00 H new ATOM 0 HB3 LYS B 32 156.883 15.138 6.638 1.00 0.00 H new ATOM 0 HG2 LYS B 32 155.120 16.761 7.402 1.00 0.00 H new ATOM 0 HG3 LYS B 32 155.107 16.004 8.982 1.00 0.00 H new ATOM 0 HD2 LYS B 32 157.541 16.555 9.267 1.00 0.00 H new ATOM 0 HD3 LYS B 32 157.555 17.311 7.687 1.00 0.00 H new ATOM 0 HE2 LYS B 32 155.864 18.972 8.416 1.00 0.00 H new ATOM 0 HE3 LYS B 32 155.696 18.170 9.965 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 157.191 20.066 10.118 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 158.042 18.629 10.426 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 158.204 19.407 8.926 1.00 0.00 H new ATOM 1882 N LYS B 33 154.624 14.783 4.781 1.00 0.00 N ATOM 1883 CA LYS B 33 153.830 15.536 3.764 1.00 0.00 C ATOM 1884 C LYS B 33 152.467 14.865 3.556 1.00 0.00 C ATOM 1885 O LYS B 33 151.450 15.527 3.493 1.00 0.00 O ATOM 1886 CB LYS B 33 154.599 15.566 2.443 1.00 0.00 C ATOM 1887 CG LYS B 33 155.826 16.468 2.596 1.00 0.00 C ATOM 1888 CD LYS B 33 156.606 16.509 1.281 1.00 0.00 C ATOM 1889 CE LYS B 33 157.830 17.411 1.446 1.00 0.00 C ATOM 1890 NZ LYS B 33 158.523 17.555 0.135 1.00 0.00 N ATOM 0 H LYS B 33 155.448 14.297 4.426 1.00 0.00 H new ATOM 0 HA LYS B 33 153.669 16.555 4.116 1.00 0.00 H new ATOM 0 HB2 LYS B 33 154.906 14.558 2.164 1.00 0.00 H new ATOM 0 HB3 LYS B 33 153.958 15.937 1.643 1.00 0.00 H new ATOM 0 HG2 LYS B 33 155.516 17.474 2.877 1.00 0.00 H new ATOM 0 HG3 LYS B 33 156.465 16.096 3.397 1.00 0.00 H new ATOM 0 HD2 LYS B 33 156.917 15.503 0.998 1.00 0.00 H new ATOM 0 HD3 LYS B 33 155.970 16.883 0.479 1.00 0.00 H new ATOM 0 HE2 LYS B 33 157.526 18.389 1.818 1.00 0.00 H new ATOM 0 HE3 LYS B 33 158.511 16.987 2.184 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 159.355 18.168 0.248 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 158.826 16.619 -0.202 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 157.872 17.978 -0.557 1.00 0.00 H new ATOM 1904 N LEU B 34 152.426 13.564 3.473 1.00 0.00 N ATOM 1905 CA LEU B 34 151.112 12.877 3.300 1.00 0.00 C ATOM 1906 C LEU B 34 150.240 13.190 4.521 1.00 0.00 C ATOM 1907 O LEU B 34 149.049 13.399 4.419 1.00 0.00 O ATOM 1908 CB LEU B 34 151.322 11.365 3.175 1.00 0.00 C ATOM 1909 CG LEU B 34 152.115 11.046 1.899 1.00 0.00 C ATOM 1910 CD1 LEU B 34 152.496 9.563 1.906 1.00 0.00 C ATOM 1911 CD2 LEU B 34 151.269 11.354 0.647 1.00 0.00 C ATOM 0 H LEU B 34 153.239 12.949 3.517 1.00 0.00 H new ATOM 0 HA LEU B 34 150.622 13.230 2.392 1.00 0.00 H new ATOM 0 HB2 LEU B 34 151.857 10.991 4.048 1.00 0.00 H new ATOM 0 HB3 LEU B 34 150.358 10.857 3.150 1.00 0.00 H new ATOM 0 HG LEU B 34 153.013 11.663 1.873 1.00 0.00 H new ATOM 0 HD11 LEU B 34 153.060 9.328 1.003 1.00 0.00 H new ATOM 0 HD12 LEU B 34 153.108 9.349 2.782 1.00 0.00 H new ATOM 0 HD13 LEU B 34 151.592 8.955 1.938 1.00 0.00 H new ATOM 0 HD21 LEU B 34 151.846 11.122 -0.248 1.00 0.00 H new ATOM 0 HD22 LEU B 34 150.363 10.748 0.662 1.00 0.00 H new ATOM 0 HD23 LEU B 34 150.999 12.410 0.641 1.00 0.00 H new ATOM 1923 N GLU B 35 150.844 13.215 5.672 1.00 0.00 N ATOM 1924 CA GLU B 35 150.058 13.507 6.908 1.00 0.00 C ATOM 1925 C GLU B 35 149.417 14.892 6.787 1.00 0.00 C ATOM 1926 O GLU B 35 148.275 15.092 7.152 1.00 0.00 O ATOM 1927 CB GLU B 35 150.986 13.460 8.126 1.00 0.00 C ATOM 1928 CG GLU B 35 150.191 13.758 9.401 1.00 0.00 C ATOM 1929 CD GLU B 35 151.122 13.669 10.611 1.00 0.00 C ATOM 1930 OE1 GLU B 35 152.240 13.213 10.441 1.00 0.00 O ATOM 1931 OE2 GLU B 35 150.700 14.058 11.688 1.00 0.00 O ATOM 0 H GLU B 35 151.840 13.048 5.815 1.00 0.00 H new ATOM 0 HA GLU B 35 149.273 12.761 7.031 1.00 0.00 H new ATOM 0 HB2 GLU B 35 151.453 12.478 8.200 1.00 0.00 H new ATOM 0 HB3 GLU B 35 151.789 14.187 8.010 1.00 0.00 H new ATOM 0 HG2 GLU B 35 149.747 14.752 9.342 1.00 0.00 H new ATOM 0 HG3 GLU B 35 149.371 13.048 9.506 1.00 0.00 H new ATOM 1938 N GLU B 36 150.137 15.845 6.266 1.00 0.00 N ATOM 1939 CA GLU B 36 149.568 17.212 6.105 1.00 0.00 C ATOM 1940 C GLU B 36 148.453 17.161 5.059 1.00 0.00 C ATOM 1941 O GLU B 36 147.605 18.030 4.987 1.00 0.00 O ATOM 1942 CB GLU B 36 150.669 18.174 5.654 1.00 0.00 C ATOM 1943 CG GLU B 36 150.108 19.593 5.562 1.00 0.00 C ATOM 1944 CD GLU B 36 151.249 20.575 5.295 1.00 0.00 C ATOM 1945 OE1 GLU B 36 152.391 20.146 5.321 1.00 0.00 O ATOM 1946 OE2 GLU B 36 150.963 21.740 5.071 1.00 0.00 O ATOM 0 H GLU B 36 151.099 15.736 5.943 1.00 0.00 H new ATOM 0 HA GLU B 36 149.162 17.563 7.054 1.00 0.00 H new ATOM 0 HB2 GLU B 36 151.500 18.146 6.358 1.00 0.00 H new ATOM 0 HB3 GLU B 36 151.061 17.864 4.685 1.00 0.00 H new ATOM 0 HG2 GLU B 36 149.368 19.652 4.763 1.00 0.00 H new ATOM 0 HG3 GLU B 36 149.598 19.855 6.489 1.00 0.00 H new ATOM 1953 N ARG B 37 148.456 16.141 4.245 1.00 0.00 N ATOM 1954 CA ARG B 37 147.405 16.010 3.190 1.00 0.00 C ATOM 1955 C ARG B 37 146.213 15.219 3.738 1.00 0.00 C ATOM 1956 O ARG B 37 145.241 14.991 3.044 1.00 0.00 O ATOM 1957 CB ARG B 37 147.987 15.278 1.972 1.00 0.00 C ATOM 1958 CG ARG B 37 148.988 16.174 1.224 1.00 0.00 C ATOM 1959 CD ARG B 37 148.243 17.173 0.322 1.00 0.00 C ATOM 1960 NE ARG B 37 149.221 17.861 -0.569 1.00 0.00 N ATOM 1961 CZ ARG B 37 148.799 18.522 -1.613 1.00 0.00 C ATOM 1962 NH1 ARG B 37 147.520 18.588 -1.871 1.00 0.00 N ATOM 1963 NH2 ARG B 37 149.653 19.117 -2.398 1.00 0.00 N ATOM 0 H ARG B 37 149.144 15.388 4.264 1.00 0.00 H new ATOM 0 HA ARG B 37 147.071 17.004 2.893 1.00 0.00 H new ATOM 0 HB2 ARG B 37 148.482 14.362 2.295 1.00 0.00 H new ATOM 0 HB3 ARG B 37 147.181 14.984 1.299 1.00 0.00 H new ATOM 0 HG2 ARG B 37 149.609 16.713 1.940 1.00 0.00 H new ATOM 0 HG3 ARG B 37 149.657 15.559 0.622 1.00 0.00 H new ATOM 0 HD2 ARG B 37 147.494 16.652 -0.275 1.00 0.00 H new ATOM 0 HD3 ARG B 37 147.712 17.905 0.931 1.00 0.00 H new ATOM 0 HE ARG B 37 150.219 17.815 -0.363 1.00 0.00 H new ATOM 0 HH11 ARG B 37 146.851 18.123 -1.257 1.00 0.00 H new ATOM 0 HH12 ARG B 37 147.190 19.104 -2.686 1.00 0.00 H new ATOM 0 HH21 ARG B 37 150.652 19.066 -2.197 1.00 0.00 H new ATOM 0 HH22 ARG B 37 149.322 19.633 -3.213 1.00 0.00 H new ATOM 1977 N GLY B 38 146.262 14.823 4.985 1.00 0.00 N ATOM 1978 CA GLY B 38 145.109 14.076 5.586 1.00 0.00 C ATOM 1979 C GLY B 38 145.360 12.568 5.558 1.00 0.00 C ATOM 1980 O GLY B 38 144.455 11.792 5.321 1.00 0.00 O ATOM 0 H GLY B 38 147.049 14.983 5.614 1.00 0.00 H new ATOM 0 HA2 GLY B 38 144.955 14.404 6.614 1.00 0.00 H new ATOM 0 HA3 GLY B 38 144.196 14.307 5.037 1.00 0.00 H new ATOM 1984 N PHE B 39 146.571 12.135 5.809 1.00 0.00 N ATOM 1985 CA PHE B 39 146.881 10.671 5.814 1.00 0.00 C ATOM 1986 C PHE B 39 147.697 10.345 7.067 1.00 0.00 C ATOM 1987 O PHE B 39 148.883 10.086 6.997 1.00 0.00 O ATOM 1988 CB PHE B 39 147.701 10.340 4.568 1.00 0.00 C ATOM 1989 CG PHE B 39 146.831 10.497 3.343 1.00 0.00 C ATOM 1990 CD1 PHE B 39 146.733 11.741 2.716 1.00 0.00 C ATOM 1991 CD2 PHE B 39 146.122 9.403 2.840 1.00 0.00 C ATOM 1992 CE1 PHE B 39 145.924 11.895 1.584 1.00 0.00 C ATOM 1993 CE2 PHE B 39 145.313 9.554 1.706 1.00 0.00 C ATOM 1994 CZ PHE B 39 145.213 10.800 1.079 1.00 0.00 C ATOM 0 H PHE B 39 147.367 12.740 6.013 1.00 0.00 H new ATOM 0 HA PHE B 39 145.961 10.086 5.814 1.00 0.00 H new ATOM 0 HB2 PHE B 39 148.566 11.000 4.501 1.00 0.00 H new ATOM 0 HB3 PHE B 39 148.082 9.321 4.629 1.00 0.00 H new ATOM 0 HD1 PHE B 39 147.282 12.586 3.105 1.00 0.00 H new ATOM 0 HD2 PHE B 39 146.198 8.441 3.325 1.00 0.00 H new ATOM 0 HE1 PHE B 39 145.848 12.858 1.101 1.00 0.00 H new ATOM 0 HE2 PHE B 39 144.767 8.708 1.316 1.00 0.00 H new ATOM 0 HZ PHE B 39 144.588 10.917 0.206 1.00 0.00 H new ATOM 2004 N ASP B 40 147.079 10.378 8.217 1.00 0.00 N ATOM 2005 CA ASP B 40 147.832 10.093 9.472 1.00 0.00 C ATOM 2006 C ASP B 40 147.986 8.583 9.673 1.00 0.00 C ATOM 2007 O ASP B 40 148.756 8.142 10.505 1.00 0.00 O ATOM 2008 CB ASP B 40 147.070 10.688 10.659 1.00 0.00 C ATOM 2009 CG ASP B 40 145.680 10.055 10.740 1.00 0.00 C ATOM 2010 OD1 ASP B 40 145.253 9.480 9.752 1.00 0.00 O ATOM 2011 OD2 ASP B 40 145.064 10.158 11.789 1.00 0.00 O ATOM 0 H ASP B 40 146.089 10.589 8.341 1.00 0.00 H new ATOM 0 HA ASP B 40 148.824 10.540 9.401 1.00 0.00 H new ATOM 0 HB2 ASP B 40 147.618 10.508 11.584 1.00 0.00 H new ATOM 0 HB3 ASP B 40 146.983 11.769 10.545 1.00 0.00 H new ATOM 2016 N LYS B 41 147.254 7.783 8.933 1.00 0.00 N ATOM 2017 CA LYS B 41 147.352 6.293 9.094 1.00 0.00 C ATOM 2018 C LYS B 41 147.552 5.640 7.724 1.00 0.00 C ATOM 2019 O LYS B 41 147.130 6.152 6.707 1.00 0.00 O ATOM 2020 CB LYS B 41 146.062 5.762 9.728 1.00 0.00 C ATOM 2021 CG LYS B 41 145.840 6.402 11.108 1.00 0.00 C ATOM 2022 CD LYS B 41 146.850 5.856 12.125 1.00 0.00 C ATOM 2023 CE LYS B 41 146.405 6.243 13.537 1.00 0.00 C ATOM 2024 NZ LYS B 41 147.387 5.717 14.527 1.00 0.00 N ATOM 0 H LYS B 41 146.592 8.096 8.223 1.00 0.00 H new ATOM 0 HA LYS B 41 148.200 6.054 9.736 1.00 0.00 H new ATOM 0 HB2 LYS B 41 145.214 5.979 9.079 1.00 0.00 H new ATOM 0 HB3 LYS B 41 146.118 4.678 9.828 1.00 0.00 H new ATOM 0 HG2 LYS B 41 145.940 7.485 11.033 1.00 0.00 H new ATOM 0 HG3 LYS B 41 144.825 6.199 11.450 1.00 0.00 H new ATOM 0 HD2 LYS B 41 146.921 4.772 12.038 1.00 0.00 H new ATOM 0 HD3 LYS B 41 147.842 6.258 11.921 1.00 0.00 H new ATOM 0 HE2 LYS B 41 146.331 7.327 13.623 1.00 0.00 H new ATOM 0 HE3 LYS B 41 145.414 5.839 13.741 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 147.086 5.979 15.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 147.436 4.681 14.450 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 148.325 6.123 14.335 1.00 0.00 H new ATOM 2038 N ALA B 42 148.212 4.514 7.700 1.00 0.00 N ATOM 2039 CA ALA B 42 148.473 3.809 6.412 1.00 0.00 C ATOM 2040 C ALA B 42 147.168 3.320 5.765 1.00 0.00 C ATOM 2041 O ALA B 42 147.018 3.370 4.560 1.00 0.00 O ATOM 2042 CB ALA B 42 149.383 2.608 6.674 1.00 0.00 C ATOM 0 H ALA B 42 148.585 4.048 8.527 1.00 0.00 H new ATOM 0 HA ALA B 42 148.951 4.511 5.729 1.00 0.00 H new ATOM 0 HB1 ALA B 42 149.578 2.088 5.736 1.00 0.00 H new ATOM 0 HB2 ALA B 42 150.325 2.952 7.101 1.00 0.00 H new ATOM 0 HB3 ALA B 42 148.895 1.927 7.372 1.00 0.00 H new ATOM 2048 N TYR B 43 146.237 2.819 6.534 1.00 0.00 N ATOM 2049 CA TYR B 43 144.978 2.298 5.921 1.00 0.00 C ATOM 2050 C TYR B 43 144.268 3.393 5.119 1.00 0.00 C ATOM 2051 O TYR B 43 143.465 3.105 4.254 1.00 0.00 O ATOM 2052 CB TYR B 43 144.040 1.719 6.990 1.00 0.00 C ATOM 2053 CG TYR B 43 143.532 2.802 7.912 1.00 0.00 C ATOM 2054 CD1 TYR B 43 142.510 3.658 7.490 1.00 0.00 C ATOM 2055 CD2 TYR B 43 144.069 2.934 9.197 1.00 0.00 C ATOM 2056 CE1 TYR B 43 142.028 4.649 8.351 1.00 0.00 C ATOM 2057 CE2 TYR B 43 143.587 3.925 10.059 1.00 0.00 C ATOM 2058 CZ TYR B 43 142.567 4.783 9.636 1.00 0.00 C ATOM 2059 OH TYR B 43 142.089 5.761 10.487 1.00 0.00 O ATOM 0 H TYR B 43 146.292 2.748 7.550 1.00 0.00 H new ATOM 0 HA TYR B 43 145.250 1.493 5.238 1.00 0.00 H new ATOM 0 HB2 TYR B 43 143.198 1.222 6.509 1.00 0.00 H new ATOM 0 HB3 TYR B 43 144.568 0.962 7.570 1.00 0.00 H new ATOM 0 HD1 TYR B 43 142.093 3.554 6.499 1.00 0.00 H new ATOM 0 HD2 TYR B 43 144.856 2.271 9.524 1.00 0.00 H new ATOM 0 HE1 TYR B 43 141.240 5.311 8.024 1.00 0.00 H new ATOM 0 HE2 TYR B 43 144.002 4.027 11.051 1.00 0.00 H new ATOM 0 HH TYR B 43 142.570 5.717 11.340 1.00 0.00 H new ATOM 2069 N VAL B 44 144.575 4.643 5.351 1.00 0.00 N ATOM 2070 CA VAL B 44 143.925 5.714 4.539 1.00 0.00 C ATOM 2071 C VAL B 44 144.638 5.749 3.185 1.00 0.00 C ATOM 2072 O VAL B 44 144.055 6.017 2.151 1.00 0.00 O ATOM 2073 CB VAL B 44 144.057 7.076 5.237 1.00 0.00 C ATOM 2074 CG1 VAL B 44 143.399 8.162 4.381 1.00 0.00 C ATOM 2075 CG2 VAL B 44 143.351 7.027 6.592 1.00 0.00 C ATOM 0 H VAL B 44 145.237 4.965 6.057 1.00 0.00 H new ATOM 0 HA VAL B 44 142.862 5.507 4.417 1.00 0.00 H new ATOM 0 HB VAL B 44 145.114 7.303 5.374 1.00 0.00 H new ATOM 0 HG11 VAL B 44 143.495 9.126 4.880 1.00 0.00 H new ATOM 0 HG12 VAL B 44 143.890 8.206 3.409 1.00 0.00 H new ATOM 0 HG13 VAL B 44 142.343 7.928 4.244 1.00 0.00 H new ATOM 0 HG21 VAL B 44 143.445 7.994 7.087 1.00 0.00 H new ATOM 0 HG22 VAL B 44 142.296 6.796 6.444 1.00 0.00 H new ATOM 0 HG23 VAL B 44 143.808 6.256 7.213 1.00 0.00 H new ATOM 2085 N VAL B 45 145.910 5.448 3.210 1.00 0.00 N ATOM 2086 CA VAL B 45 146.721 5.424 1.962 1.00 0.00 C ATOM 2087 C VAL B 45 146.371 4.145 1.203 1.00 0.00 C ATOM 2088 O VAL B 45 146.285 4.127 -0.008 1.00 0.00 O ATOM 2089 CB VAL B 45 148.208 5.419 2.325 1.00 0.00 C ATOM 2090 CG1 VAL B 45 149.048 5.188 1.066 1.00 0.00 C ATOM 2091 CG2 VAL B 45 148.584 6.763 2.952 1.00 0.00 C ATOM 0 H VAL B 45 146.427 5.214 4.058 1.00 0.00 H new ATOM 0 HA VAL B 45 146.511 6.299 1.347 1.00 0.00 H new ATOM 0 HB VAL B 45 148.402 4.617 3.038 1.00 0.00 H new ATOM 0 HG11 VAL B 45 150.106 5.185 1.330 1.00 0.00 H new ATOM 0 HG12 VAL B 45 148.782 4.229 0.622 1.00 0.00 H new ATOM 0 HG13 VAL B 45 148.855 5.985 0.348 1.00 0.00 H new ATOM 0 HG21 VAL B 45 149.643 6.760 3.211 1.00 0.00 H new ATOM 0 HG22 VAL B 45 148.387 7.565 2.240 1.00 0.00 H new ATOM 0 HG23 VAL B 45 147.991 6.923 3.852 1.00 0.00 H new ATOM 2101 N LEU B 46 146.132 3.080 1.919 1.00 0.00 N ATOM 2102 CA LEU B 46 145.745 1.803 1.263 1.00 0.00 C ATOM 2103 C LEU B 46 144.450 2.064 0.491 1.00 0.00 C ATOM 2104 O LEU B 46 144.235 1.555 -0.590 1.00 0.00 O ATOM 2105 CB LEU B 46 145.492 0.740 2.344 1.00 0.00 C ATOM 2106 CG LEU B 46 145.099 -0.609 1.707 1.00 0.00 C ATOM 2107 CD1 LEU B 46 146.333 -1.290 1.092 1.00 0.00 C ATOM 2108 CD2 LEU B 46 144.472 -1.516 2.776 1.00 0.00 C ATOM 0 H LEU B 46 146.189 3.042 2.937 1.00 0.00 H new ATOM 0 HA LEU B 46 146.530 1.450 0.594 1.00 0.00 H new ATOM 0 HB2 LEU B 46 146.388 0.613 2.952 1.00 0.00 H new ATOM 0 HB3 LEU B 46 144.699 1.076 3.012 1.00 0.00 H new ATOM 0 HG LEU B 46 144.373 -0.431 0.914 1.00 0.00 H new ATOM 0 HD11 LEU B 46 146.040 -2.241 0.646 1.00 0.00 H new ATOM 0 HD12 LEU B 46 146.759 -0.645 0.323 1.00 0.00 H new ATOM 0 HD13 LEU B 46 147.076 -1.468 1.870 1.00 0.00 H new ATOM 0 HD21 LEU B 46 144.194 -2.469 2.327 1.00 0.00 H new ATOM 0 HD22 LEU B 46 145.193 -1.688 3.575 1.00 0.00 H new ATOM 0 HD23 LEU B 46 143.584 -1.035 3.186 1.00 0.00 H new ATOM 2120 N GLY B 47 143.586 2.858 1.064 1.00 0.00 N ATOM 2121 CA GLY B 47 142.289 3.174 0.405 1.00 0.00 C ATOM 2122 C GLY B 47 142.532 3.846 -0.949 1.00 0.00 C ATOM 2123 O GLY B 47 141.880 3.535 -1.925 1.00 0.00 O ATOM 0 H GLY B 47 143.726 3.305 1.970 1.00 0.00 H new ATOM 0 HA2 GLY B 47 141.711 2.260 0.267 1.00 0.00 H new ATOM 0 HA3 GLY B 47 141.699 3.831 1.044 1.00 0.00 H new ATOM 2127 N GLN B 48 143.466 4.759 -1.029 1.00 0.00 N ATOM 2128 CA GLN B 48 143.740 5.424 -2.338 1.00 0.00 C ATOM 2129 C GLN B 48 144.156 4.356 -3.359 1.00 0.00 C ATOM 2130 O GLN B 48 143.707 4.350 -4.487 1.00 0.00 O ATOM 2131 CB GLN B 48 144.872 6.445 -2.163 1.00 0.00 C ATOM 2132 CG GLN B 48 145.094 7.213 -3.471 1.00 0.00 C ATOM 2133 CD GLN B 48 143.862 8.064 -3.787 1.00 0.00 C ATOM 2134 OE1 GLN B 48 143.461 8.890 -2.992 1.00 0.00 O ATOM 2135 NE2 GLN B 48 143.242 7.898 -4.923 1.00 0.00 N ATOM 0 H GLN B 48 144.047 5.071 -0.251 1.00 0.00 H new ATOM 0 HA GLN B 48 142.846 5.939 -2.690 1.00 0.00 H new ATOM 0 HB2 GLN B 48 144.624 7.141 -1.361 1.00 0.00 H new ATOM 0 HB3 GLN B 48 145.790 5.935 -1.871 1.00 0.00 H new ATOM 0 HG2 GLN B 48 145.975 7.849 -3.385 1.00 0.00 H new ATOM 0 HG3 GLN B 48 145.284 6.515 -4.286 1.00 0.00 H new ATOM 0 HE21 GLN B 48 143.578 7.204 -5.591 1.00 0.00 H new ATOM 0 HE22 GLN B 48 142.421 8.462 -5.143 1.00 0.00 H new ATOM 2144 N PHE B 49 145.001 3.446 -2.956 1.00 0.00 N ATOM 2145 CA PHE B 49 145.452 2.360 -3.877 1.00 0.00 C ATOM 2146 C PHE B 49 144.234 1.551 -4.332 1.00 0.00 C ATOM 2147 O PHE B 49 144.114 1.170 -5.480 1.00 0.00 O ATOM 2148 CB PHE B 49 146.431 1.465 -3.112 1.00 0.00 C ATOM 2149 CG PHE B 49 146.923 0.340 -3.991 1.00 0.00 C ATOM 2150 CD1 PHE B 49 147.851 0.594 -5.007 1.00 0.00 C ATOM 2151 CD2 PHE B 49 146.463 -0.965 -3.773 1.00 0.00 C ATOM 2152 CE1 PHE B 49 148.318 -0.457 -5.807 1.00 0.00 C ATOM 2153 CE2 PHE B 49 146.927 -2.014 -4.572 1.00 0.00 C ATOM 2154 CZ PHE B 49 147.856 -1.760 -5.588 1.00 0.00 C ATOM 0 H PHE B 49 145.403 3.407 -2.019 1.00 0.00 H new ATOM 0 HA PHE B 49 145.944 2.774 -4.757 1.00 0.00 H new ATOM 0 HB2 PHE B 49 147.277 2.057 -2.763 1.00 0.00 H new ATOM 0 HB3 PHE B 49 145.943 1.056 -2.228 1.00 0.00 H new ATOM 0 HD1 PHE B 49 148.207 1.600 -5.174 1.00 0.00 H new ATOM 0 HD2 PHE B 49 145.749 -1.161 -2.987 1.00 0.00 H new ATOM 0 HE1 PHE B 49 149.034 -0.262 -6.592 1.00 0.00 H new ATOM 0 HE2 PHE B 49 146.569 -3.019 -4.406 1.00 0.00 H new ATOM 0 HZ PHE B 49 148.217 -2.571 -6.204 1.00 0.00 H new ATOM 2164 N LEU B 50 143.333 1.300 -3.438 1.00 0.00 N ATOM 2165 CA LEU B 50 142.119 0.522 -3.821 1.00 0.00 C ATOM 2166 C LEU B 50 141.279 1.381 -4.770 1.00 0.00 C ATOM 2167 O LEU B 50 140.682 0.894 -5.709 1.00 0.00 O ATOM 2168 CB LEU B 50 141.301 0.179 -2.572 1.00 0.00 C ATOM 2169 CG LEU B 50 142.094 -0.780 -1.668 1.00 0.00 C ATOM 2170 CD1 LEU B 50 141.327 -0.982 -0.357 1.00 0.00 C ATOM 2171 CD2 LEU B 50 142.290 -2.142 -2.366 1.00 0.00 C ATOM 0 H LEU B 50 143.376 1.594 -2.462 1.00 0.00 H new ATOM 0 HA LEU B 50 142.410 -0.407 -4.310 1.00 0.00 H new ATOM 0 HB2 LEU B 50 141.059 1.090 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU B 50 140.356 -0.280 -2.862 1.00 0.00 H new ATOM 0 HG LEU B 50 143.074 -0.349 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU B 50 141.883 -1.661 0.289 1.00 0.00 H new ATOM 0 HD12 LEU B 50 141.205 -0.022 0.145 1.00 0.00 H new ATOM 0 HD13 LEU B 50 140.346 -1.407 -0.571 1.00 0.00 H new ATOM 0 HD21 LEU B 50 142.853 -2.808 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU B 50 141.317 -2.583 -2.583 1.00 0.00 H new ATOM 0 HD23 LEU B 50 142.839 -1.998 -3.297 1.00 0.00 H new ATOM 2183 N VAL B 51 141.226 2.659 -4.521 1.00 0.00 N ATOM 2184 CA VAL B 51 140.427 3.572 -5.390 1.00 0.00 C ATOM 2185 C VAL B 51 141.063 3.677 -6.785 1.00 0.00 C ATOM 2186 O VAL B 51 140.386 3.917 -7.765 1.00 0.00 O ATOM 2187 CB VAL B 51 140.365 4.961 -4.744 1.00 0.00 C ATOM 2188 CG1 VAL B 51 139.755 5.969 -5.725 1.00 0.00 C ATOM 2189 CG2 VAL B 51 139.498 4.888 -3.484 1.00 0.00 C ATOM 0 H VAL B 51 141.706 3.116 -3.746 1.00 0.00 H new ATOM 0 HA VAL B 51 139.419 3.170 -5.496 1.00 0.00 H new ATOM 0 HB VAL B 51 141.373 5.284 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL B 51 139.715 6.953 -5.258 1.00 0.00 H new ATOM 0 HG12 VAL B 51 140.369 6.019 -6.624 1.00 0.00 H new ATOM 0 HG13 VAL B 51 138.747 5.653 -5.992 1.00 0.00 H new ATOM 0 HG21 VAL B 51 139.449 5.872 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL B 51 138.493 4.563 -3.752 1.00 0.00 H new ATOM 0 HG23 VAL B 51 139.934 4.177 -2.783 1.00 0.00 H new ATOM 2199 N LEU B 52 142.356 3.524 -6.880 1.00 0.00 N ATOM 2200 CA LEU B 52 143.030 3.649 -8.210 1.00 0.00 C ATOM 2201 C LEU B 52 142.989 2.311 -8.954 1.00 0.00 C ATOM 2202 O LEU B 52 143.647 2.141 -9.961 1.00 0.00 O ATOM 2203 CB LEU B 52 144.490 4.059 -7.999 1.00 0.00 C ATOM 2204 CG LEU B 52 144.561 5.463 -7.384 1.00 0.00 C ATOM 2205 CD1 LEU B 52 146.004 5.745 -6.955 1.00 0.00 C ATOM 2206 CD2 LEU B 52 144.110 6.526 -8.407 1.00 0.00 C ATOM 0 H LEU B 52 142.976 3.318 -6.097 1.00 0.00 H new ATOM 0 HA LEU B 52 142.509 4.402 -8.801 1.00 0.00 H new ATOM 0 HB2 LEU B 52 144.986 3.342 -7.345 1.00 0.00 H new ATOM 0 HB3 LEU B 52 145.021 4.043 -8.951 1.00 0.00 H new ATOM 0 HG LEU B 52 143.897 5.509 -6.521 1.00 0.00 H new ATOM 0 HD11 LEU B 52 146.065 6.741 -6.516 1.00 0.00 H new ATOM 0 HD12 LEU B 52 146.316 5.004 -6.219 1.00 0.00 H new ATOM 0 HD13 LEU B 52 146.659 5.691 -7.824 1.00 0.00 H new ATOM 0 HD21 LEU B 52 144.167 7.515 -7.953 1.00 0.00 H new ATOM 0 HD22 LEU B 52 144.761 6.490 -9.280 1.00 0.00 H new ATOM 0 HD23 LEU B 52 143.083 6.325 -8.711 1.00 0.00 H new ATOM 2218 N LYS B 53 142.222 1.364 -8.491 1.00 0.00 N ATOM 2219 CA LYS B 53 142.151 0.060 -9.205 1.00 0.00 C ATOM 2220 C LYS B 53 143.565 -0.446 -9.518 1.00 0.00 C ATOM 2221 O LYS B 53 143.811 -1.007 -10.566 1.00 0.00 O ATOM 2222 CB LYS B 53 141.371 0.244 -10.508 1.00 0.00 C ATOM 2223 CG LYS B 53 139.915 0.588 -10.183 1.00 0.00 C ATOM 2224 CD LYS B 53 139.131 0.775 -11.484 1.00 0.00 C ATOM 2225 CE LYS B 53 137.676 1.117 -11.159 1.00 0.00 C ATOM 2226 NZ LYS B 53 137.633 2.330 -10.292 1.00 0.00 N ATOM 0 H LYS B 53 141.644 1.436 -7.654 1.00 0.00 H new ATOM 0 HA LYS B 53 141.647 -0.671 -8.573 1.00 0.00 H new ATOM 0 HB2 LYS B 53 141.820 1.038 -11.105 1.00 0.00 H new ATOM 0 HB3 LYS B 53 141.417 -0.667 -11.104 1.00 0.00 H new ATOM 0 HG2 LYS B 53 139.467 -0.207 -9.587 1.00 0.00 H new ATOM 0 HG3 LYS B 53 139.870 1.498 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS B 53 139.578 1.571 -12.079 1.00 0.00 H new ATOM 0 HD3 LYS B 53 139.177 -0.135 -12.082 1.00 0.00 H new ATOM 0 HE2 LYS B 53 137.119 1.294 -12.079 1.00 0.00 H new ATOM 0 HE3 LYS B 53 137.198 0.278 -10.653 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 136.699 2.780 -10.371 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 137.803 2.056 -9.303 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 138.367 3.001 -10.597 1.00 0.00 H new ATOM 2240 N LYS B 54 144.490 -0.252 -8.607 1.00 0.00 N ATOM 2241 CA LYS B 54 145.900 -0.717 -8.803 1.00 0.00 C ATOM 2242 C LYS B 54 146.522 -0.057 -10.044 1.00 0.00 C ATOM 2243 O LYS B 54 147.498 -0.544 -10.575 1.00 0.00 O ATOM 2244 CB LYS B 54 145.923 -2.241 -8.974 1.00 0.00 C ATOM 2245 CG LYS B 54 145.252 -2.900 -7.767 1.00 0.00 C ATOM 2246 CD LYS B 54 145.274 -4.421 -7.935 1.00 0.00 C ATOM 2247 CE LYS B 54 144.592 -5.078 -6.732 1.00 0.00 C ATOM 2248 NZ LYS B 54 145.376 -4.803 -5.496 1.00 0.00 N ATOM 0 H LYS B 54 144.322 0.219 -7.718 1.00 0.00 H new ATOM 0 HA LYS B 54 146.481 -0.434 -7.925 1.00 0.00 H new ATOM 0 HB2 LYS B 54 145.405 -2.523 -9.890 1.00 0.00 H new ATOM 0 HB3 LYS B 54 146.951 -2.592 -9.069 1.00 0.00 H new ATOM 0 HG2 LYS B 54 145.770 -2.618 -6.851 1.00 0.00 H new ATOM 0 HG3 LYS B 54 144.224 -2.549 -7.673 1.00 0.00 H new ATOM 0 HD2 LYS B 54 144.763 -4.703 -8.855 1.00 0.00 H new ATOM 0 HD3 LYS B 54 146.302 -4.773 -8.021 1.00 0.00 H new ATOM 0 HE2 LYS B 54 143.578 -4.694 -6.623 1.00 0.00 H new ATOM 0 HE3 LYS B 54 144.511 -6.153 -6.891 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 145.512 -5.688 -4.967 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 146.303 -4.407 -5.754 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 144.861 -4.121 -4.903 1.00 0.00 H new ATOM 2262 N ASP B 55 146.004 1.053 -10.500 1.00 0.00 N ATOM 2263 CA ASP B 55 146.635 1.708 -11.687 1.00 0.00 C ATOM 2264 C ASP B 55 148.010 2.243 -11.263 1.00 0.00 C ATOM 2265 O ASP B 55 148.117 3.225 -10.555 1.00 0.00 O ATOM 2266 CB ASP B 55 145.752 2.859 -12.174 1.00 0.00 C ATOM 2267 CG ASP B 55 144.530 2.291 -12.899 1.00 0.00 C ATOM 2268 OD1 ASP B 55 144.675 1.272 -13.553 1.00 0.00 O ATOM 2269 OD2 ASP B 55 143.470 2.883 -12.785 1.00 0.00 O ATOM 0 H ASP B 55 145.188 1.528 -10.113 1.00 0.00 H new ATOM 0 HA ASP B 55 146.747 0.991 -12.500 1.00 0.00 H new ATOM 0 HB2 ASP B 55 145.435 3.471 -11.330 1.00 0.00 H new ATOM 0 HB3 ASP B 55 146.317 3.507 -12.844 1.00 0.00 H new ATOM 2274 N GLU B 56 149.059 1.579 -11.669 1.00 0.00 N ATOM 2275 CA GLU B 56 150.440 1.999 -11.278 1.00 0.00 C ATOM 2276 C GLU B 56 150.811 3.381 -11.840 1.00 0.00 C ATOM 2277 O GLU B 56 151.443 4.172 -11.177 1.00 0.00 O ATOM 2278 CB GLU B 56 151.431 0.955 -11.799 1.00 0.00 C ATOM 2279 CG GLU B 56 152.848 1.288 -11.321 1.00 0.00 C ATOM 2280 CD GLU B 56 153.820 0.231 -11.847 1.00 0.00 C ATOM 2281 OE1 GLU B 56 153.352 -0.764 -12.376 1.00 0.00 O ATOM 2282 OE2 GLU B 56 155.015 0.433 -11.710 1.00 0.00 O ATOM 0 H GLU B 56 149.019 0.751 -12.264 1.00 0.00 H new ATOM 0 HA GLU B 56 150.479 2.071 -10.191 1.00 0.00 H new ATOM 0 HB2 GLU B 56 151.144 -0.036 -11.448 1.00 0.00 H new ATOM 0 HB3 GLU B 56 151.403 0.928 -12.888 1.00 0.00 H new ATOM 0 HG2 GLU B 56 153.141 2.276 -11.675 1.00 0.00 H new ATOM 0 HG3 GLU B 56 152.879 1.318 -10.232 1.00 0.00 H new ATOM 2289 N ASP B 57 150.441 3.674 -13.055 1.00 0.00 N ATOM 2290 CA ASP B 57 150.801 5.000 -13.649 1.00 0.00 C ATOM 2291 C ASP B 57 150.023 6.118 -12.954 1.00 0.00 C ATOM 2292 O ASP B 57 150.544 7.185 -12.698 1.00 0.00 O ATOM 2293 CB ASP B 57 150.466 4.995 -15.140 1.00 0.00 C ATOM 2294 CG ASP B 57 151.434 4.067 -15.876 1.00 0.00 C ATOM 2295 OD1 ASP B 57 152.488 3.789 -15.329 1.00 0.00 O ATOM 2296 OD2 ASP B 57 151.104 3.648 -16.974 1.00 0.00 O ATOM 0 H ASP B 57 149.905 3.056 -13.665 1.00 0.00 H new ATOM 0 HA ASP B 57 151.868 5.174 -13.512 1.00 0.00 H new ATOM 0 HB2 ASP B 57 149.439 4.662 -15.292 1.00 0.00 H new ATOM 0 HB3 ASP B 57 150.536 6.005 -15.543 1.00 0.00 H new ATOM 2301 N LEU B 58 148.790 5.883 -12.648 1.00 0.00 N ATOM 2302 CA LEU B 58 147.994 6.942 -11.967 1.00 0.00 C ATOM 2303 C LEU B 58 148.510 7.118 -10.536 1.00 0.00 C ATOM 2304 O LEU B 58 148.591 8.218 -10.027 1.00 0.00 O ATOM 2305 CB LEU B 58 146.514 6.553 -11.938 1.00 0.00 C ATOM 2306 CG LEU B 58 145.926 6.598 -13.357 1.00 0.00 C ATOM 2307 CD1 LEU B 58 144.489 6.065 -13.316 1.00 0.00 C ATOM 2308 CD2 LEU B 58 145.931 8.044 -13.900 1.00 0.00 C ATOM 0 H LEU B 58 148.294 5.012 -12.835 1.00 0.00 H new ATOM 0 HA LEU B 58 148.099 7.879 -12.514 1.00 0.00 H new ATOM 0 HB2 LEU B 58 146.402 5.552 -11.521 1.00 0.00 H new ATOM 0 HB3 LEU B 58 145.964 7.233 -11.287 1.00 0.00 H new ATOM 0 HG LEU B 58 146.535 5.981 -14.018 1.00 0.00 H new ATOM 0 HD11 LEU B 58 144.062 6.093 -14.318 1.00 0.00 H new ATOM 0 HD12 LEU B 58 144.492 5.038 -12.951 1.00 0.00 H new ATOM 0 HD13 LEU B 58 143.890 6.685 -12.649 1.00 0.00 H new ATOM 0 HD21 LEU B 58 145.511 8.056 -14.906 1.00 0.00 H new ATOM 0 HD22 LEU B 58 145.331 8.679 -13.248 1.00 0.00 H new ATOM 0 HD23 LEU B 58 146.954 8.418 -13.929 1.00 0.00 H new ATOM 2320 N PHE B 59 148.877 6.046 -9.892 1.00 0.00 N ATOM 2321 CA PHE B 59 149.410 6.153 -8.503 1.00 0.00 C ATOM 2322 C PHE B 59 150.718 6.951 -8.509 1.00 0.00 C ATOM 2323 O PHE B 59 150.950 7.790 -7.660 1.00 0.00 O ATOM 2324 CB PHE B 59 149.660 4.749 -7.948 1.00 0.00 C ATOM 2325 CG PHE B 59 150.302 4.839 -6.581 1.00 0.00 C ATOM 2326 CD1 PHE B 59 149.551 5.270 -5.481 1.00 0.00 C ATOM 2327 CD2 PHE B 59 151.647 4.477 -6.412 1.00 0.00 C ATOM 2328 CE1 PHE B 59 150.143 5.340 -4.212 1.00 0.00 C ATOM 2329 CE2 PHE B 59 152.238 4.549 -5.144 1.00 0.00 C ATOM 2330 CZ PHE B 59 151.486 4.979 -4.044 1.00 0.00 C ATOM 0 H PHE B 59 148.831 5.098 -10.267 1.00 0.00 H new ATOM 0 HA PHE B 59 148.684 6.668 -7.873 1.00 0.00 H new ATOM 0 HB2 PHE B 59 148.719 4.203 -7.882 1.00 0.00 H new ATOM 0 HB3 PHE B 59 150.306 4.191 -8.626 1.00 0.00 H new ATOM 0 HD1 PHE B 59 148.516 5.549 -5.610 1.00 0.00 H new ATOM 0 HD2 PHE B 59 152.227 4.143 -7.260 1.00 0.00 H new ATOM 0 HE1 PHE B 59 149.563 5.672 -3.364 1.00 0.00 H new ATOM 0 HE2 PHE B 59 153.274 4.273 -5.015 1.00 0.00 H new ATOM 0 HZ PHE B 59 151.941 5.032 -3.066 1.00 0.00 H new ATOM 2340 N ARG B 60 151.584 6.679 -9.451 1.00 0.00 N ATOM 2341 CA ARG B 60 152.889 7.400 -9.502 1.00 0.00 C ATOM 2342 C ARG B 60 152.680 8.905 -9.657 1.00 0.00 C ATOM 2343 O ARG B 60 153.278 9.692 -8.950 1.00 0.00 O ATOM 2344 CB ARG B 60 153.716 6.890 -10.687 1.00 0.00 C ATOM 2345 CG ARG B 60 154.211 5.471 -10.407 1.00 0.00 C ATOM 2346 CD ARG B 60 154.872 4.907 -11.665 1.00 0.00 C ATOM 2347 NE ARG B 60 155.997 5.797 -12.067 1.00 0.00 N ATOM 2348 CZ ARG B 60 156.890 5.379 -12.920 1.00 0.00 C ATOM 2349 NH1 ARG B 60 156.811 4.173 -13.411 1.00 0.00 N ATOM 2350 NH2 ARG B 60 157.865 6.168 -13.281 1.00 0.00 N ATOM 0 H ARG B 60 151.443 5.988 -10.188 1.00 0.00 H new ATOM 0 HA ARG B 60 153.415 7.212 -8.566 1.00 0.00 H new ATOM 0 HB2 ARG B 60 153.112 6.901 -11.594 1.00 0.00 H new ATOM 0 HB3 ARG B 60 154.564 7.552 -10.861 1.00 0.00 H new ATOM 0 HG2 ARG B 60 154.922 5.478 -9.581 1.00 0.00 H new ATOM 0 HG3 ARG B 60 153.378 4.836 -10.105 1.00 0.00 H new ATOM 0 HD2 ARG B 60 155.240 3.898 -11.476 1.00 0.00 H new ATOM 0 HD3 ARG B 60 154.143 4.835 -12.472 1.00 0.00 H new ATOM 0 HE ARG B 60 156.069 6.736 -11.674 1.00 0.00 H new ATOM 0 HH11 ARG B 60 156.050 3.556 -13.128 1.00 0.00 H new ATOM 0 HH12 ARG B 60 157.510 3.847 -14.078 1.00 0.00 H new ATOM 0 HH21 ARG B 60 157.928 7.110 -12.896 1.00 0.00 H new ATOM 0 HH22 ARG B 60 158.564 5.842 -13.948 1.00 0.00 H new ATOM 2364 N GLU B 61 151.839 9.330 -10.559 1.00 0.00 N ATOM 2365 CA GLU B 61 151.616 10.792 -10.716 1.00 0.00 C ATOM 2366 C GLU B 61 151.022 11.345 -9.423 1.00 0.00 C ATOM 2367 O GLU B 61 151.365 12.422 -8.986 1.00 0.00 O ATOM 2368 CB GLU B 61 150.644 11.047 -11.872 1.00 0.00 C ATOM 2369 CG GLU B 61 151.325 10.713 -13.201 1.00 0.00 C ATOM 2370 CD GLU B 61 152.407 11.754 -13.492 1.00 0.00 C ATOM 2371 OE1 GLU B 61 152.247 12.883 -13.058 1.00 0.00 O ATOM 2372 OE2 GLU B 61 153.375 11.406 -14.147 1.00 0.00 O ATOM 0 H GLU B 61 151.302 8.734 -11.188 1.00 0.00 H new ATOM 0 HA GLU B 61 152.564 11.285 -10.931 1.00 0.00 H new ATOM 0 HB2 GLU B 61 149.748 10.438 -11.748 1.00 0.00 H new ATOM 0 HB3 GLU B 61 150.324 12.089 -11.868 1.00 0.00 H new ATOM 0 HG2 GLU B 61 151.765 9.717 -13.157 1.00 0.00 H new ATOM 0 HG3 GLU B 61 150.590 10.701 -14.006 1.00 0.00 H new ATOM 2379 N TRP B 62 150.131 10.620 -8.812 1.00 0.00 N ATOM 2380 CA TRP B 62 149.508 11.113 -7.550 1.00 0.00 C ATOM 2381 C TRP B 62 150.545 11.243 -6.426 1.00 0.00 C ATOM 2382 O TRP B 62 150.597 12.239 -5.736 1.00 0.00 O ATOM 2383 CB TRP B 62 148.409 10.135 -7.104 1.00 0.00 C ATOM 2384 CG TRP B 62 147.940 10.503 -5.727 1.00 0.00 C ATOM 2385 CD1 TRP B 62 147.000 11.434 -5.446 1.00 0.00 C ATOM 2386 CD2 TRP B 62 148.393 9.978 -4.443 1.00 0.00 C ATOM 2387 NE1 TRP B 62 146.843 11.511 -4.073 1.00 0.00 N ATOM 2388 CE2 TRP B 62 147.679 10.632 -3.412 1.00 0.00 C ATOM 2389 CE3 TRP B 62 149.343 9.005 -4.079 1.00 0.00 C ATOM 2390 CZ2 TRP B 62 147.902 10.333 -2.065 1.00 0.00 C ATOM 2391 CZ3 TRP B 62 149.566 8.701 -2.726 1.00 0.00 C ATOM 2392 CH2 TRP B 62 148.847 9.364 -1.722 1.00 0.00 C ATOM 0 H TRP B 62 149.805 9.707 -9.130 1.00 0.00 H new ATOM 0 HA TRP B 62 149.085 12.098 -7.747 1.00 0.00 H new ATOM 0 HB2 TRP B 62 147.574 10.166 -7.804 1.00 0.00 H new ATOM 0 HB3 TRP B 62 148.792 9.114 -7.109 1.00 0.00 H new ATOM 0 HD1 TRP B 62 146.460 12.021 -6.174 1.00 0.00 H new ATOM 0 HE1 TRP B 62 146.190 12.140 -3.606 1.00 0.00 H new ATOM 0 HE3 TRP B 62 149.904 8.489 -4.845 1.00 0.00 H new ATOM 0 HZ2 TRP B 62 147.347 10.848 -1.295 1.00 0.00 H new ATOM 0 HZ3 TRP B 62 150.296 7.952 -2.458 1.00 0.00 H new ATOM 0 HH2 TRP B 62 149.024 9.125 -0.684 1.00 0.00 H new ATOM 2403 N LEU B 63 151.349 10.242 -6.219 1.00 0.00 N ATOM 2404 CA LEU B 63 152.349 10.313 -5.115 1.00 0.00 C ATOM 2405 C LEU B 63 153.422 11.359 -5.417 1.00 0.00 C ATOM 2406 O LEU B 63 153.775 12.155 -4.571 1.00 0.00 O ATOM 2407 CB LEU B 63 152.996 8.933 -4.936 1.00 0.00 C ATOM 2408 CG LEU B 63 154.038 8.967 -3.808 1.00 0.00 C ATOM 2409 CD1 LEU B 63 153.379 9.383 -2.482 1.00 0.00 C ATOM 2410 CD2 LEU B 63 154.653 7.572 -3.662 1.00 0.00 C ATOM 0 H LEU B 63 151.360 9.379 -6.763 1.00 0.00 H new ATOM 0 HA LEU B 63 151.842 10.607 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU B 63 152.229 8.193 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU B 63 153.470 8.624 -5.867 1.00 0.00 H new ATOM 0 HG LEU B 63 154.812 9.694 -4.053 1.00 0.00 H new ATOM 0 HD11 LEU B 63 154.130 9.402 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU B 63 152.940 10.375 -2.589 1.00 0.00 H new ATOM 0 HD13 LEU B 63 152.599 8.667 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU B 63 155.395 7.583 -2.864 1.00 0.00 H new ATOM 0 HD22 LEU B 63 153.870 6.853 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU B 63 155.132 7.286 -4.598 1.00 0.00 H new ATOM 2422 N LYS B 64 153.949 11.369 -6.606 1.00 0.00 N ATOM 2423 CA LYS B 64 154.998 12.371 -6.938 1.00 0.00 C ATOM 2424 C LYS B 64 154.402 13.779 -6.890 1.00 0.00 C ATOM 2425 O LYS B 64 155.005 14.707 -6.386 1.00 0.00 O ATOM 2426 CB LYS B 64 155.566 12.095 -8.329 1.00 0.00 C ATOM 2427 CG LYS B 64 156.797 12.978 -8.547 1.00 0.00 C ATOM 2428 CD LYS B 64 157.389 12.723 -9.936 1.00 0.00 C ATOM 2429 CE LYS B 64 157.841 11.258 -10.066 1.00 0.00 C ATOM 2430 NZ LYS B 64 156.703 10.430 -10.557 1.00 0.00 N ATOM 0 H LYS B 64 153.701 10.730 -7.361 1.00 0.00 H new ATOM 0 HA LYS B 64 155.803 12.297 -6.207 1.00 0.00 H new ATOM 0 HB2 LYS B 64 155.835 11.043 -8.424 1.00 0.00 H new ATOM 0 HB3 LYS B 64 154.814 12.302 -9.091 1.00 0.00 H new ATOM 0 HG2 LYS B 64 156.523 14.028 -8.447 1.00 0.00 H new ATOM 0 HG3 LYS B 64 157.544 12.769 -7.781 1.00 0.00 H new ATOM 0 HD2 LYS B 64 156.647 12.951 -10.702 1.00 0.00 H new ATOM 0 HD3 LYS B 64 158.236 13.388 -10.105 1.00 0.00 H new ATOM 0 HE2 LYS B 64 158.682 11.185 -10.756 1.00 0.00 H new ATOM 0 HE3 LYS B 64 158.186 10.886 -9.102 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 156.427 9.748 -9.822 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 155.895 11.046 -10.778 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 156.992 9.917 -11.414 1.00 0.00 H new ATOM 2444 N ASP B 65 153.218 13.940 -7.411 1.00 0.00 N ATOM 2445 CA ASP B 65 152.563 15.279 -7.404 1.00 0.00 C ATOM 2446 C ASP B 65 152.169 15.643 -5.974 1.00 0.00 C ATOM 2447 O ASP B 65 152.131 16.799 -5.603 1.00 0.00 O ATOM 2448 CB ASP B 65 151.309 15.246 -8.278 1.00 0.00 C ATOM 2449 CG ASP B 65 151.712 15.109 -9.748 1.00 0.00 C ATOM 2450 OD1 ASP B 65 152.711 15.700 -10.125 1.00 0.00 O ATOM 2451 OD2 ASP B 65 151.020 14.410 -10.469 1.00 0.00 O ATOM 0 H ASP B 65 152.671 13.196 -7.845 1.00 0.00 H new ATOM 0 HA ASP B 65 153.259 16.021 -7.796 1.00 0.00 H new ATOM 0 HB2 ASP B 65 150.672 14.411 -7.986 1.00 0.00 H new ATOM 0 HB3 ASP B 65 150.728 16.157 -8.133 1.00 0.00 H new ATOM 2456 N THR B 66 151.835 14.663 -5.180 1.00 0.00 N ATOM 2457 CA THR B 66 151.397 14.942 -3.786 1.00 0.00 C ATOM 2458 C THR B 66 152.592 15.272 -2.886 1.00 0.00 C ATOM 2459 O THR B 66 152.472 16.092 -1.999 1.00 0.00 O ATOM 2460 CB THR B 66 150.654 13.723 -3.230 1.00 0.00 C ATOM 2461 OG1 THR B 66 149.522 13.454 -4.044 1.00 0.00 O ATOM 2462 CG2 THR B 66 150.188 14.008 -1.801 1.00 0.00 C ATOM 0 H THR B 66 151.847 13.677 -5.440 1.00 0.00 H new ATOM 0 HA THR B 66 150.733 15.806 -3.801 1.00 0.00 H new ATOM 0 HB THR B 66 151.323 12.863 -3.228 1.00 0.00 H new ATOM 0 HG1 THR B 66 149.710 12.685 -4.622 1.00 0.00 H new ATOM 0 HG21 THR B 66 149.660 13.138 -1.410 1.00 0.00 H new ATOM 0 HG22 THR B 66 151.052 14.221 -1.172 1.00 0.00 H new ATOM 0 HG23 THR B 66 149.519 14.868 -1.801 1.00 0.00 H new ATOM 2470 N CYS B 67 153.730 14.632 -3.060 1.00 0.00 N ATOM 2471 CA CYS B 67 154.900 14.913 -2.160 1.00 0.00 C ATOM 2472 C CYS B 67 156.189 15.146 -2.954 1.00 0.00 C ATOM 2473 O CYS B 67 157.012 15.958 -2.581 1.00 0.00 O ATOM 2474 CB CYS B 67 155.101 13.718 -1.226 1.00 0.00 C ATOM 2475 SG CYS B 67 155.777 12.324 -2.164 1.00 0.00 S ATOM 0 H CYS B 67 153.898 13.931 -3.782 1.00 0.00 H new ATOM 0 HA CYS B 67 154.684 15.821 -1.596 1.00 0.00 H new ATOM 0 HB2 CYS B 67 155.778 13.987 -0.415 1.00 0.00 H new ATOM 0 HB3 CYS B 67 154.152 13.437 -0.769 1.00 0.00 H new ATOM 0 HG CYS B 67 155.058 12.128 -3.229 1.00 0.00 H new ATOM 2481 N GLY B 68 156.377 14.431 -4.042 1.00 0.00 N ATOM 2482 CA GLY B 68 157.621 14.597 -4.867 1.00 0.00 C ATOM 2483 C GLY B 68 158.444 13.305 -4.803 1.00 0.00 C ATOM 2484 O GLY B 68 159.622 13.296 -5.100 1.00 0.00 O ATOM 0 H GLY B 68 155.719 13.736 -4.395 1.00 0.00 H new ATOM 0 HA2 GLY B 68 157.359 14.825 -5.900 1.00 0.00 H new ATOM 0 HA3 GLY B 68 158.209 15.436 -4.495 1.00 0.00 H new ATOM 2488 N ALA B 69 157.837 12.214 -4.416 1.00 0.00 N ATOM 2489 CA ALA B 69 158.583 10.922 -4.328 1.00 0.00 C ATOM 2490 C ALA B 69 159.279 10.626 -5.658 1.00 0.00 C ATOM 2491 O ALA B 69 158.835 11.047 -6.708 1.00 0.00 O ATOM 2492 CB ALA B 69 157.602 9.790 -4.011 1.00 0.00 C ATOM 0 H ALA B 69 156.852 12.161 -4.156 1.00 0.00 H new ATOM 0 HA ALA B 69 159.332 10.997 -3.540 1.00 0.00 H new ATOM 0 HB1 ALA B 69 158.144 8.846 -3.946 1.00 0.00 H new ATOM 0 HB2 ALA B 69 157.109 9.991 -3.060 1.00 0.00 H new ATOM 0 HB3 ALA B 69 156.854 9.725 -4.801 1.00 0.00 H new ATOM 2498 N ASN B 70 160.370 9.904 -5.623 1.00 0.00 N ATOM 2499 CA ASN B 70 161.101 9.583 -6.885 1.00 0.00 C ATOM 2500 C ASN B 70 160.583 8.262 -7.460 1.00 0.00 C ATOM 2501 O ASN B 70 159.829 7.547 -6.830 1.00 0.00 O ATOM 2502 CB ASN B 70 162.595 9.446 -6.581 1.00 0.00 C ATOM 2503 CG ASN B 70 163.111 10.740 -5.950 1.00 0.00 C ATOM 2504 OD1 ASN B 70 163.705 10.718 -4.891 1.00 0.00 O ATOM 2505 ND2 ASN B 70 162.908 11.876 -6.560 1.00 0.00 N ATOM 0 H ASN B 70 160.786 9.523 -4.773 1.00 0.00 H new ATOM 0 HA ASN B 70 160.940 10.382 -7.609 1.00 0.00 H new ATOM 0 HB2 ASN B 70 162.763 8.608 -5.905 1.00 0.00 H new ATOM 0 HB3 ASN B 70 163.145 9.232 -7.498 1.00 0.00 H new ATOM 0 HD21 ASN B 70 163.248 12.744 -6.147 1.00 0.00 H new ATOM 0 HD22 ASN B 70 162.409 11.895 -7.450 1.00 0.00 H new ATOM 2512 N ALA B 71 160.979 7.943 -8.662 1.00 0.00 N ATOM 2513 CA ALA B 71 160.511 6.681 -9.306 1.00 0.00 C ATOM 2514 C ALA B 71 160.925 5.457 -8.479 1.00 0.00 C ATOM 2515 O ALA B 71 160.238 4.457 -8.465 1.00 0.00 O ATOM 2516 CB ALA B 71 161.120 6.570 -10.703 1.00 0.00 C ATOM 0 H ALA B 71 161.611 8.506 -9.230 1.00 0.00 H new ATOM 0 HA ALA B 71 159.423 6.708 -9.368 1.00 0.00 H new ATOM 0 HB1 ALA B 71 160.780 5.649 -11.176 1.00 0.00 H new ATOM 0 HB2 ALA B 71 160.808 7.424 -11.305 1.00 0.00 H new ATOM 0 HB3 ALA B 71 162.207 6.558 -10.626 1.00 0.00 H new ATOM 2522 N LYS B 72 162.041 5.508 -7.804 1.00 0.00 N ATOM 2523 CA LYS B 72 162.468 4.316 -7.012 1.00 0.00 C ATOM 2524 C LYS B 72 161.548 4.130 -5.806 1.00 0.00 C ATOM 2525 O LYS B 72 161.171 3.025 -5.461 1.00 0.00 O ATOM 2526 CB LYS B 72 163.908 4.517 -6.530 1.00 0.00 C ATOM 2527 CG LYS B 72 164.424 3.223 -5.897 1.00 0.00 C ATOM 2528 CD LYS B 72 165.855 3.429 -5.383 1.00 0.00 C ATOM 2529 CE LYS B 72 166.800 3.751 -6.550 1.00 0.00 C ATOM 2530 NZ LYS B 72 168.189 3.351 -6.183 1.00 0.00 N ATOM 0 H LYS B 72 162.669 6.311 -7.765 1.00 0.00 H new ATOM 0 HA LYS B 72 162.411 3.429 -7.642 1.00 0.00 H new ATOM 0 HB2 LYS B 72 164.545 4.804 -7.367 1.00 0.00 H new ATOM 0 HB3 LYS B 72 163.949 5.330 -5.805 1.00 0.00 H new ATOM 0 HG2 LYS B 72 163.773 2.924 -5.076 1.00 0.00 H new ATOM 0 HG3 LYS B 72 164.404 2.416 -6.629 1.00 0.00 H new ATOM 0 HD2 LYS B 72 165.874 4.241 -4.656 1.00 0.00 H new ATOM 0 HD3 LYS B 72 166.196 2.531 -4.867 1.00 0.00 H new ATOM 0 HE2 LYS B 72 166.482 3.221 -7.448 1.00 0.00 H new ATOM 0 HE3 LYS B 72 166.764 4.816 -6.779 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 168.832 3.568 -6.971 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 168.489 3.876 -5.337 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 168.215 2.330 -5.985 1.00 0.00 H new ATOM 2544 N GLN B 73 161.195 5.201 -5.153 1.00 0.00 N ATOM 2545 CA GLN B 73 160.319 5.098 -3.955 1.00 0.00 C ATOM 2546 C GLN B 73 158.924 4.626 -4.349 1.00 0.00 C ATOM 2547 O GLN B 73 158.288 3.880 -3.631 1.00 0.00 O ATOM 2548 CB GLN B 73 160.220 6.466 -3.276 1.00 0.00 C ATOM 2549 CG GLN B 73 161.603 6.899 -2.779 1.00 0.00 C ATOM 2550 CD GLN B 73 162.087 5.937 -1.693 1.00 0.00 C ATOM 2551 OE1 GLN B 73 161.329 5.552 -0.824 1.00 0.00 O ATOM 2552 NE2 GLN B 73 163.324 5.522 -1.711 1.00 0.00 N ATOM 0 H GLN B 73 161.478 6.149 -5.400 1.00 0.00 H new ATOM 0 HA GLN B 73 160.753 4.373 -3.267 1.00 0.00 H new ATOM 0 HB2 GLN B 73 159.828 7.203 -3.977 1.00 0.00 H new ATOM 0 HB3 GLN B 73 159.522 6.418 -2.441 1.00 0.00 H new ATOM 0 HG2 GLN B 73 162.310 6.911 -3.608 1.00 0.00 H new ATOM 0 HG3 GLN B 73 161.557 7.914 -2.384 1.00 0.00 H new ATOM 0 HE21 GLN B 73 163.960 5.845 -2.440 1.00 0.00 H new ATOM 0 HE22 GLN B 73 163.655 4.874 -0.996 1.00 0.00 H new ATOM 2561 N SER B 74 158.430 5.061 -5.473 1.00 0.00 N ATOM 2562 CA SER B 74 157.068 4.640 -5.887 1.00 0.00 C ATOM 2563 C SER B 74 157.048 3.142 -6.193 1.00 0.00 C ATOM 2564 O SER B 74 156.087 2.459 -5.902 1.00 0.00 O ATOM 2565 CB SER B 74 156.645 5.420 -7.127 1.00 0.00 C ATOM 2566 OG SER B 74 155.253 5.233 -7.334 1.00 0.00 O ATOM 0 H SER B 74 158.910 5.687 -6.120 1.00 0.00 H new ATOM 0 HA SER B 74 156.373 4.845 -5.073 1.00 0.00 H new ATOM 0 HB2 SER B 74 156.869 6.479 -7.001 1.00 0.00 H new ATOM 0 HB3 SER B 74 157.205 5.078 -7.997 1.00 0.00 H new ATOM 0 HG SER B 74 154.798 6.100 -7.299 1.00 0.00 H new ATOM 2572 N ARG B 75 158.090 2.615 -6.786 1.00 0.00 N ATOM 2573 CA ARG B 75 158.104 1.162 -7.112 1.00 0.00 C ATOM 2574 C ARG B 75 157.962 0.352 -5.827 1.00 0.00 C ATOM 2575 O ARG B 75 157.303 -0.668 -5.804 1.00 0.00 O ATOM 2576 CB ARG B 75 159.425 0.801 -7.793 1.00 0.00 C ATOM 2577 CG ARG B 75 159.467 1.412 -9.193 1.00 0.00 C ATOM 2578 CD ARG B 75 160.869 1.242 -9.777 1.00 0.00 C ATOM 2579 NE ARG B 75 161.254 -0.196 -9.722 1.00 0.00 N ATOM 2580 CZ ARG B 75 162.273 -0.627 -10.412 1.00 0.00 C ATOM 2581 NH1 ARG B 75 162.964 0.203 -11.145 1.00 0.00 N ATOM 2582 NH2 ARG B 75 162.602 -1.889 -10.367 1.00 0.00 N ATOM 0 H ARG B 75 158.928 3.129 -7.057 1.00 0.00 H new ATOM 0 HA ARG B 75 157.275 0.935 -7.783 1.00 0.00 H new ATOM 0 HB2 ARG B 75 160.263 1.168 -7.200 1.00 0.00 H new ATOM 0 HB3 ARG B 75 159.529 -0.282 -7.855 1.00 0.00 H new ATOM 0 HG2 ARG B 75 158.732 0.928 -9.836 1.00 0.00 H new ATOM 0 HG3 ARG B 75 159.205 2.469 -9.149 1.00 0.00 H new ATOM 0 HD2 ARG B 75 160.892 1.597 -10.807 1.00 0.00 H new ATOM 0 HD3 ARG B 75 161.584 1.844 -9.216 1.00 0.00 H new ATOM 0 HE ARG B 75 160.720 -0.844 -9.144 1.00 0.00 H new ATOM 0 HH11 ARG B 75 162.707 1.190 -11.178 1.00 0.00 H new ATOM 0 HH12 ARG B 75 163.761 -0.135 -11.684 1.00 0.00 H new ATOM 0 HH21 ARG B 75 162.062 -2.537 -9.793 1.00 0.00 H new ATOM 0 HH22 ARG B 75 163.399 -2.228 -10.906 1.00 0.00 H new ATOM 2596 N ASP B 76 158.585 0.768 -4.759 1.00 0.00 N ATOM 2597 CA ASP B 76 158.496 -0.005 -3.493 1.00 0.00 C ATOM 2598 C ASP B 76 157.071 0.034 -2.940 1.00 0.00 C ATOM 2599 O ASP B 76 156.572 -0.955 -2.442 1.00 0.00 O ATOM 2600 CB ASP B 76 159.452 0.598 -2.462 1.00 0.00 C ATOM 2601 CG ASP B 76 160.897 0.316 -2.878 1.00 0.00 C ATOM 2602 OD1 ASP B 76 161.101 -0.600 -3.658 1.00 0.00 O ATOM 2603 OD2 ASP B 76 161.775 1.023 -2.412 1.00 0.00 O ATOM 0 H ASP B 76 159.153 1.614 -4.711 1.00 0.00 H new ATOM 0 HA ASP B 76 158.768 -1.041 -3.695 1.00 0.00 H new ATOM 0 HB2 ASP B 76 159.288 1.673 -2.384 1.00 0.00 H new ATOM 0 HB3 ASP B 76 159.257 0.173 -1.477 1.00 0.00 H new ATOM 2608 N CYS B 77 156.403 1.152 -3.014 1.00 0.00 N ATOM 2609 CA CYS B 77 155.015 1.217 -2.480 1.00 0.00 C ATOM 2610 C CYS B 77 154.067 0.380 -3.345 1.00 0.00 C ATOM 2611 O CYS B 77 153.177 -0.273 -2.837 1.00 0.00 O ATOM 2612 CB CYS B 77 154.538 2.671 -2.487 1.00 0.00 C ATOM 2613 SG CYS B 77 155.438 3.614 -1.233 1.00 0.00 S ATOM 0 H CYS B 77 156.756 2.019 -3.419 1.00 0.00 H new ATOM 0 HA CYS B 77 155.013 0.823 -1.464 1.00 0.00 H new ATOM 0 HB2 CYS B 77 154.698 3.111 -3.471 1.00 0.00 H new ATOM 0 HB3 CYS B 77 153.467 2.713 -2.289 1.00 0.00 H new ATOM 0 HG CYS B 77 156.098 2.797 -0.467 1.00 0.00 H new ATOM 2619 N PHE B 78 154.216 0.407 -4.643 1.00 0.00 N ATOM 2620 CA PHE B 78 153.279 -0.377 -5.496 1.00 0.00 C ATOM 2621 C PHE B 78 153.365 -1.861 -5.146 1.00 0.00 C ATOM 2622 O PHE B 78 152.393 -2.472 -4.748 1.00 0.00 O ATOM 2623 CB PHE B 78 153.639 -0.170 -6.967 1.00 0.00 C ATOM 2624 CG PHE B 78 152.706 -0.981 -7.834 1.00 0.00 C ATOM 2625 CD1 PHE B 78 151.502 -0.423 -8.281 1.00 0.00 C ATOM 2626 CD2 PHE B 78 153.051 -2.288 -8.198 1.00 0.00 C ATOM 2627 CE1 PHE B 78 150.642 -1.174 -9.090 1.00 0.00 C ATOM 2628 CE2 PHE B 78 152.189 -3.038 -9.009 1.00 0.00 C ATOM 2629 CZ PHE B 78 150.985 -2.481 -9.454 1.00 0.00 C ATOM 0 H PHE B 78 154.935 0.930 -5.143 1.00 0.00 H new ATOM 0 HA PHE B 78 152.260 -0.034 -5.318 1.00 0.00 H new ATOM 0 HB2 PHE B 78 153.566 0.886 -7.225 1.00 0.00 H new ATOM 0 HB3 PHE B 78 154.671 -0.471 -7.145 1.00 0.00 H new ATOM 0 HD1 PHE B 78 151.237 0.586 -8.002 1.00 0.00 H new ATOM 0 HD2 PHE B 78 153.980 -2.718 -7.854 1.00 0.00 H new ATOM 0 HE1 PHE B 78 149.713 -0.745 -9.434 1.00 0.00 H new ATOM 0 HE2 PHE B 78 152.454 -4.046 -9.291 1.00 0.00 H new ATOM 0 HZ PHE B 78 150.320 -3.060 -10.078 1.00 0.00 H new ATOM 2639 N GLY B 79 154.515 -2.450 -5.301 1.00 0.00 N ATOM 2640 CA GLY B 79 154.657 -3.899 -4.987 1.00 0.00 C ATOM 2641 C GLY B 79 154.313 -4.150 -3.518 1.00 0.00 C ATOM 2642 O GLY B 79 153.811 -5.192 -3.156 1.00 0.00 O ATOM 0 H GLY B 79 155.364 -1.992 -5.632 1.00 0.00 H new ATOM 0 HA2 GLY B 79 153.999 -4.485 -5.629 1.00 0.00 H new ATOM 0 HA3 GLY B 79 155.676 -4.226 -5.192 1.00 0.00 H new ATOM 2646 N CYS B 80 154.579 -3.203 -2.668 1.00 0.00 N ATOM 2647 CA CYS B 80 154.261 -3.406 -1.227 1.00 0.00 C ATOM 2648 C CYS B 80 152.744 -3.427 -1.023 1.00 0.00 C ATOM 2649 O CYS B 80 152.208 -4.335 -0.421 1.00 0.00 O ATOM 2650 CB CYS B 80 154.870 -2.273 -0.403 1.00 0.00 C ATOM 2651 SG CYS B 80 154.570 -2.581 1.355 1.00 0.00 S ATOM 0 H CYS B 80 154.999 -2.304 -2.903 1.00 0.00 H new ATOM 0 HA CYS B 80 154.679 -4.359 -0.902 1.00 0.00 H new ATOM 0 HB2 CYS B 80 155.941 -2.204 -0.594 1.00 0.00 H new ATOM 0 HB3 CYS B 80 154.432 -1.319 -0.696 1.00 0.00 H new ATOM 0 HG CYS B 80 153.328 -2.921 1.530 1.00 0.00 H new ATOM 2657 N LEU B 81 152.041 -2.448 -1.524 1.00 0.00 N ATOM 2658 CA LEU B 81 150.561 -2.462 -1.347 1.00 0.00 C ATOM 2659 C LEU B 81 149.946 -3.570 -2.211 1.00 0.00 C ATOM 2660 O LEU B 81 149.029 -4.251 -1.800 1.00 0.00 O ATOM 2661 CB LEU B 81 149.979 -1.110 -1.775 1.00 0.00 C ATOM 2662 CG LEU B 81 150.572 0.022 -0.924 1.00 0.00 C ATOM 2663 CD1 LEU B 81 149.986 1.359 -1.392 1.00 0.00 C ATOM 2664 CD2 LEU B 81 150.237 -0.198 0.564 1.00 0.00 C ATOM 0 H LEU B 81 152.418 -1.653 -2.039 1.00 0.00 H new ATOM 0 HA LEU B 81 150.329 -2.646 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU B 81 150.193 -0.932 -2.829 1.00 0.00 H new ATOM 0 HB3 LEU B 81 148.894 -1.124 -1.668 1.00 0.00 H new ATOM 0 HG LEU B 81 151.656 0.031 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU B 81 150.402 2.168 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU B 81 150.236 1.519 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU B 81 148.902 1.342 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU B 81 150.663 0.612 1.156 1.00 0.00 H new ATOM 0 HD22 LEU B 81 149.155 -0.213 0.695 1.00 0.00 H new ATOM 0 HD23 LEU B 81 150.655 -1.149 0.894 1.00 0.00 H new ATOM 2676 N ARG B 82 150.432 -3.746 -3.414 1.00 0.00 N ATOM 2677 CA ARG B 82 149.862 -4.799 -4.308 1.00 0.00 C ATOM 2678 C ARG B 82 150.052 -6.189 -3.694 1.00 0.00 C ATOM 2679 O ARG B 82 149.168 -7.020 -3.741 1.00 0.00 O ATOM 2680 CB ARG B 82 150.557 -4.744 -5.674 1.00 0.00 C ATOM 2681 CG ARG B 82 149.974 -5.825 -6.593 1.00 0.00 C ATOM 2682 CD ARG B 82 150.609 -5.726 -7.981 1.00 0.00 C ATOM 2683 NE ARG B 82 150.152 -6.878 -8.808 1.00 0.00 N ATOM 2684 CZ ARG B 82 150.302 -6.857 -10.104 1.00 0.00 C ATOM 2685 NH1 ARG B 82 150.843 -5.822 -10.684 1.00 0.00 N ATOM 2686 NH2 ARG B 82 149.908 -7.875 -10.821 1.00 0.00 N ATOM 0 H ARG B 82 151.199 -3.206 -3.815 1.00 0.00 H new ATOM 0 HA ARG B 82 148.795 -4.613 -4.429 1.00 0.00 H new ATOM 0 HB2 ARG B 82 150.422 -3.760 -6.122 1.00 0.00 H new ATOM 0 HB3 ARG B 82 151.630 -4.895 -5.554 1.00 0.00 H new ATOM 0 HG2 ARG B 82 150.157 -6.812 -6.169 1.00 0.00 H new ATOM 0 HG3 ARG B 82 148.893 -5.706 -6.669 1.00 0.00 H new ATOM 0 HD2 ARG B 82 150.328 -4.786 -8.457 1.00 0.00 H new ATOM 0 HD3 ARG B 82 151.696 -5.730 -7.899 1.00 0.00 H new ATOM 0 HE ARG B 82 149.720 -7.686 -8.359 1.00 0.00 H new ATOM 0 HH11 ARG B 82 151.150 -5.026 -10.124 1.00 0.00 H new ATOM 0 HH12 ARG B 82 150.959 -5.808 -11.697 1.00 0.00 H new ATOM 0 HH21 ARG B 82 149.484 -8.684 -10.368 1.00 0.00 H new ATOM 0 HH22 ARG B 82 150.024 -7.861 -11.834 1.00 0.00 H new ATOM 2700 N GLU B 83 151.198 -6.458 -3.135 1.00 0.00 N ATOM 2701 CA GLU B 83 151.440 -7.804 -2.538 1.00 0.00 C ATOM 2702 C GLU B 83 150.600 -7.992 -1.270 1.00 0.00 C ATOM 2703 O GLU B 83 150.110 -9.072 -1.007 1.00 0.00 O ATOM 2704 CB GLU B 83 152.931 -7.973 -2.234 1.00 0.00 C ATOM 2705 CG GLU B 83 153.704 -8.096 -3.550 1.00 0.00 C ATOM 2706 CD GLU B 83 155.206 -8.137 -3.259 1.00 0.00 C ATOM 2707 OE1 GLU B 83 155.572 -7.966 -2.107 1.00 0.00 O ATOM 2708 OE2 GLU B 83 155.965 -8.341 -4.192 1.00 0.00 O ATOM 0 H GLU B 83 151.979 -5.805 -3.065 1.00 0.00 H new ATOM 0 HA GLU B 83 151.139 -8.569 -3.254 1.00 0.00 H new ATOM 0 HB2 GLU B 83 153.297 -7.120 -1.662 1.00 0.00 H new ATOM 0 HB3 GLU B 83 153.091 -8.860 -1.621 1.00 0.00 H new ATOM 0 HG2 GLU B 83 153.401 -8.999 -4.079 1.00 0.00 H new ATOM 0 HG3 GLU B 83 153.472 -7.253 -4.200 1.00 0.00 H new ATOM 2715 N TRP B 84 150.404 -6.969 -0.481 1.00 0.00 N ATOM 2716 CA TRP B 84 149.574 -7.138 0.746 1.00 0.00 C ATOM 2717 C TRP B 84 148.185 -7.610 0.309 1.00 0.00 C ATOM 2718 O TRP B 84 147.577 -8.460 0.930 1.00 0.00 O ATOM 2719 CB TRP B 84 149.460 -5.800 1.485 1.00 0.00 C ATOM 2720 CG TRP B 84 148.799 -6.015 2.811 1.00 0.00 C ATOM 2721 CD1 TRP B 84 149.454 -6.279 3.965 1.00 0.00 C ATOM 2722 CD2 TRP B 84 147.379 -5.996 3.144 1.00 0.00 C ATOM 2723 NE1 TRP B 84 148.530 -6.417 4.984 1.00 0.00 N ATOM 2724 CE2 TRP B 84 147.240 -6.252 4.529 1.00 0.00 C ATOM 2725 CE3 TRP B 84 146.209 -5.781 2.392 1.00 0.00 C ATOM 2726 CZ2 TRP B 84 145.991 -6.296 5.146 1.00 0.00 C ATOM 2727 CZ3 TRP B 84 144.947 -5.824 3.011 1.00 0.00 C ATOM 2728 CH2 TRP B 84 144.840 -6.081 4.386 1.00 0.00 C ATOM 0 H TRP B 84 150.779 -6.032 -0.631 1.00 0.00 H new ATOM 0 HA TRP B 84 150.030 -7.865 1.418 1.00 0.00 H new ATOM 0 HB2 TRP B 84 150.450 -5.365 1.627 1.00 0.00 H new ATOM 0 HB3 TRP B 84 148.883 -5.092 0.890 1.00 0.00 H new ATOM 0 HD1 TRP B 84 150.525 -6.368 4.073 1.00 0.00 H new ATOM 0 HE1 TRP B 84 148.774 -6.617 5.954 1.00 0.00 H new ATOM 0 HE3 TRP B 84 146.281 -5.582 1.333 1.00 0.00 H new ATOM 0 HZ2 TRP B 84 145.914 -6.495 6.205 1.00 0.00 H new ATOM 0 HZ3 TRP B 84 144.055 -5.658 2.425 1.00 0.00 H new ATOM 0 HH2 TRP B 84 143.868 -6.112 4.856 1.00 0.00 H new ATOM 2739 N CYS B 85 147.692 -7.067 -0.768 1.00 0.00 N ATOM 2740 CA CYS B 85 146.352 -7.488 -1.267 1.00 0.00 C ATOM 2741 C CYS B 85 146.399 -8.978 -1.615 1.00 0.00 C ATOM 2742 O CYS B 85 145.476 -9.723 -1.353 1.00 0.00 O ATOM 2743 CB CYS B 85 146.002 -6.684 -2.523 1.00 0.00 C ATOM 2744 SG CYS B 85 145.583 -4.985 -2.057 1.00 0.00 S ATOM 0 H CYS B 85 148.158 -6.350 -1.325 1.00 0.00 H new ATOM 0 HA CYS B 85 145.598 -7.309 -0.501 1.00 0.00 H new ATOM 0 HB2 CYS B 85 146.844 -6.685 -3.215 1.00 0.00 H new ATOM 0 HB3 CYS B 85 145.163 -7.147 -3.042 1.00 0.00 H new ATOM 0 HG CYS B 85 146.675 -4.310 -1.850 1.00 0.00 H new ATOM 2750 N ASP B 86 147.480 -9.413 -2.203 1.00 0.00 N ATOM 2751 CA ASP B 86 147.620 -10.849 -2.577 1.00 0.00 C ATOM 2752 C ASP B 86 147.548 -11.735 -1.328 1.00 0.00 C ATOM 2753 O ASP B 86 147.006 -12.823 -1.362 1.00 0.00 O ATOM 2754 CB ASP B 86 148.958 -11.068 -3.288 1.00 0.00 C ATOM 2755 CG ASP B 86 148.915 -10.408 -4.668 1.00 0.00 C ATOM 2756 OD1 ASP B 86 147.823 -10.171 -5.155 1.00 0.00 O ATOM 2757 OD2 ASP B 86 149.977 -10.150 -5.212 1.00 0.00 O ATOM 0 H ASP B 86 148.281 -8.828 -2.443 1.00 0.00 H new ATOM 0 HA ASP B 86 146.803 -11.119 -3.247 1.00 0.00 H new ATOM 0 HB2 ASP B 86 149.770 -10.646 -2.696 1.00 0.00 H new ATOM 0 HB3 ASP B 86 149.158 -12.135 -3.389 1.00 0.00 H new ATOM 2762 N ALA B 87 148.116 -11.297 -0.233 1.00 0.00 N ATOM 2763 CA ALA B 87 148.106 -12.140 1.004 1.00 0.00 C ATOM 2764 C ALA B 87 146.833 -11.894 1.812 1.00 0.00 C ATOM 2765 O ALA B 87 146.271 -12.810 2.380 1.00 0.00 O ATOM 2766 CB ALA B 87 149.318 -11.790 1.869 1.00 0.00 C ATOM 0 H ALA B 87 148.585 -10.396 -0.141 1.00 0.00 H new ATOM 0 HA ALA B 87 148.144 -13.189 0.709 1.00 0.00 H new ATOM 0 HB1 ALA B 87 149.311 -12.403 2.770 1.00 0.00 H new ATOM 0 HB2 ALA B 87 150.233 -11.980 1.307 1.00 0.00 H new ATOM 0 HB3 ALA B 87 149.275 -10.737 2.147 1.00 0.00 H new ATOM 2772 N PHE B 88 146.390 -10.665 1.903 1.00 0.00 N ATOM 2773 CA PHE B 88 145.171 -10.363 2.717 1.00 0.00 C ATOM 2774 C PHE B 88 143.969 -10.126 1.804 1.00 0.00 C ATOM 2775 O PHE B 88 143.203 -11.029 1.536 1.00 0.00 O ATOM 2776 CB PHE B 88 145.433 -9.109 3.555 1.00 0.00 C ATOM 2777 CG PHE B 88 146.519 -9.401 4.565 1.00 0.00 C ATOM 2778 CD1 PHE B 88 146.188 -9.972 5.800 1.00 0.00 C ATOM 2779 CD2 PHE B 88 147.856 -9.106 4.267 1.00 0.00 C ATOM 2780 CE1 PHE B 88 147.191 -10.248 6.736 1.00 0.00 C ATOM 2781 CE2 PHE B 88 148.861 -9.383 5.204 1.00 0.00 C ATOM 2782 CZ PHE B 88 148.528 -9.953 6.439 1.00 0.00 C ATOM 0 H PHE B 88 146.819 -9.858 1.450 1.00 0.00 H new ATOM 0 HA PHE B 88 144.953 -11.210 3.368 1.00 0.00 H new ATOM 0 HB2 PHE B 88 145.733 -8.283 2.910 1.00 0.00 H new ATOM 0 HB3 PHE B 88 144.520 -8.801 4.064 1.00 0.00 H new ATOM 0 HD1 PHE B 88 145.158 -10.200 6.030 1.00 0.00 H new ATOM 0 HD2 PHE B 88 148.112 -8.665 3.315 1.00 0.00 H new ATOM 0 HE1 PHE B 88 146.934 -10.689 7.688 1.00 0.00 H new ATOM 0 HE2 PHE B 88 149.892 -9.157 4.974 1.00 0.00 H new ATOM 0 HZ PHE B 88 149.302 -10.165 7.162 1.00 0.00 H new ATOM 2792 N LEU B 89 143.782 -8.921 1.326 1.00 0.00 N ATOM 2793 CA LEU B 89 142.613 -8.640 0.440 1.00 0.00 C ATOM 2794 C LEU B 89 142.966 -9.032 -0.996 1.00 0.00 C ATOM 2795 O LEU B 89 142.575 -10.111 -1.408 1.00 0.00 O ATOM 2796 CB LEU B 89 142.279 -7.139 0.511 1.00 0.00 C ATOM 2797 CG LEU B 89 141.267 -6.750 -0.582 1.00 0.00 C ATOM 2798 CD1 LEU B 89 140.033 -7.654 -0.503 1.00 0.00 C ATOM 2799 CD2 LEU B 89 140.836 -5.289 -0.381 1.00 0.00 C ATOM 2800 OXT LEU B 89 143.620 -8.246 -1.658 1.00 0.00 O ATOM 0 H LEU B 89 144.388 -8.122 1.511 1.00 0.00 H new ATOM 0 HA LEU B 89 141.747 -9.217 0.765 1.00 0.00 H new ATOM 0 HB2 LEU B 89 141.870 -6.899 1.493 1.00 0.00 H new ATOM 0 HB3 LEU B 89 143.191 -6.553 0.393 1.00 0.00 H new ATOM 0 HG LEU B 89 141.736 -6.868 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU B 89 139.324 -7.370 -1.280 1.00 0.00 H new ATOM 0 HD12 LEU B 89 140.333 -8.692 -0.647 1.00 0.00 H new ATOM 0 HD13 LEU B 89 139.563 -7.544 0.474 1.00 0.00 H new ATOM 0 HD21 LEU B 89 140.119 -5.011 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU B 89 140.373 -5.178 0.600 1.00 0.00 H new ATOM 0 HD23 LEU B 89 141.709 -4.640 -0.446 1.00 0.00 H new TER 2812 LEU B 89