USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 954 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 SER OG : rot 180:sc= -0.091 USER MOD Set 1.2: A 65 LYS NZ :NH3+ 167:sc= 1.3 (180deg=0.867) USER MOD Set 2.1: A 45 ASN : amide:sc= -4.04! C(o=-3.1!,f=-7!) USER MOD Set 2.2: A 49 ASN : amide:sc= 0.985 K(o=-3.1,f=-4) USER MOD Set 3.1: A 22 TYR OH : rot 166:sc= 1.25 USER MOD Set 3.2: A 104 LYS NZ :NH3+ 175:sc= 0.894! (180deg=0.248!) USER MOD Set 4.1: A 9 HIS : no HE2:sc= 1.12 K(o=2.1,f=-9.6!) USER MOD Set 4.2: A 13 GLN : amide:sc= 0.974 K(o=2.1,f=-0.15) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -160:sc= -0.537 USER MOD Single : A 7 LYS NZ :NH3+ -114:sc= 1.31 (180deg=-0.359) USER MOD Single : A 15 LYS NZ :NH3+ 157:sc= 2.02 (180deg=0.484) USER MOD Single : A 18 CYS SG : rot 70:sc= -2.48! USER MOD Single : A 20 SER OG : rot 91:sc= 1.31 USER MOD Single : A 28 THR OG1 : rot 81:sc= -1.16! USER MOD Single : A 32 SER OG : rot 106:sc= 1.61 USER MOD Single : A 33 HIS : no HD1:sc= 1.12 K(o=1.1,f=-4.4!) USER MOD Single : A 34 HIS : no HE2:sc= 0.612 K(o=0.61,f=-4.8!) USER MOD Single : A 38 ASN : amide:sc= 1.14 K(o=1.1,f=-0.14) USER MOD Single : A 41 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 42 SER OG : rot -102:sc= -0.597! USER MOD Single : A 47 GLN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 54 HIS : no HD1:sc=-0.00918 X(o=-0.0092,f=0) USER MOD Single : A 57 SER OG : rot -63:sc= 0.797 USER MOD Single : A 60 MET CE :methyl 137:sc= -2.93 (180deg=-6.83!) USER MOD Single : A 63 LYS NZ :NH3+ -115:sc= 1.24 (180deg=-0.149) USER MOD Single : A 66 TYR OH : rot -91:sc= 1.2 USER MOD Single : A 73 SER OG : rot 170:sc= 0 USER MOD Single : A 79 TYR OH : rot -70:sc= -1.02! USER MOD Single : A 83 THR OG1 : rot 84:sc= 0.146! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 74:sc= 0.991 USER MOD Single : A 88 SER OG : rot 92:sc= 1.28 USER MOD Single : A 89 SER OG : rot 70:sc= 0.388 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -1.21 X(o=-1.2,f=-0.72) USER MOD Single : A 98 GLN : amide:sc= -0.556 X(o=-0.56,f=-0.59) USER MOD Single : A 101 GLN : amide:sc= -0.256 K(o=-0.26,f=-1.2!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 178:sc= 1.01 USER MOD Single : A 112 SER OG : rot 27:sc= 1.94 USER MOD Single : A 115 TYR OH : rot -41:sc= 1.32 USER MOD Single : A 117 SER OG : rot 80:sc= 1.21 USER MOD Single : A 118 THR OG1 : rot 43:sc= 1.3 USER MOD Single : A 120 MET CE :methyl -153:sc= -0.794 (180deg=-3.3!) USER MOD Single : A 121 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.136) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.069 -17.297 2.601 1.00 0.00 N ATOM 2 CA MET A 1 -19.740 -18.444 1.918 1.00 0.00 C ATOM 3 C MET A 1 -18.812 -19.022 0.855 1.00 0.00 C ATOM 4 O MET A 1 -18.278 -18.267 0.029 1.00 0.00 O ATOM 5 CB MET A 1 -21.058 -17.961 1.263 1.00 0.00 C ATOM 6 CG MET A 1 -22.273 -18.833 1.560 1.00 0.00 C ATOM 7 SD MET A 1 -23.144 -19.323 0.059 1.00 0.00 S ATOM 8 CE MET A 1 -23.951 -20.828 0.597 1.00 0.00 C ATOM 0 H1 MET A 1 -19.704 -16.905 3.325 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.191 -17.626 3.051 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.844 -16.560 1.902 1.00 0.00 H new ATOM 0 HA MET A 1 -19.969 -19.218 2.651 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.265 -16.946 1.601 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.916 -17.915 0.183 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.955 -19.724 2.101 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.956 -18.291 2.214 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.529 -21.246 -0.228 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.199 -21.550 0.916 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.617 -20.606 1.431 1.00 0.00 H new ATOM 18 N ASP A 2 -18.578 -20.350 0.892 1.00 0.00 N ATOM 19 CA ASP A 2 -17.647 -21.034 -0.041 1.00 0.00 C ATOM 20 C ASP A 2 -16.205 -20.669 0.307 1.00 0.00 C ATOM 21 O ASP A 2 -15.478 -21.479 0.883 1.00 0.00 O ATOM 22 CB ASP A 2 -17.963 -20.721 -1.520 1.00 0.00 C ATOM 23 CG ASP A 2 -17.275 -21.656 -2.460 1.00 0.00 C ATOM 24 OD1 ASP A 2 -16.097 -21.464 -2.724 1.00 0.00 O ATOM 25 OD2 ASP A 2 -17.923 -22.589 -2.946 1.00 0.00 O ATOM 0 H ASP A 2 -19.023 -20.977 1.562 1.00 0.00 H new ATOM 0 HA ASP A 2 -17.781 -22.109 0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -19.040 -20.778 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -17.662 -19.698 -1.744 1.00 0.00 H new ATOM 30 N GLU A 3 -15.843 -19.415 0.081 1.00 0.00 N ATOM 31 CA GLU A 3 -14.547 -18.886 0.489 1.00 0.00 C ATOM 32 C GLU A 3 -14.765 -17.608 1.304 1.00 0.00 C ATOM 33 O GLU A 3 -15.899 -17.099 1.387 1.00 0.00 O ATOM 34 CB GLU A 3 -13.645 -18.595 -0.731 1.00 0.00 C ATOM 35 CG GLU A 3 -13.188 -19.838 -1.499 1.00 0.00 C ATOM 36 CD GLU A 3 -12.399 -19.491 -2.721 1.00 0.00 C ATOM 37 OE1 GLU A 3 -13.013 -19.230 -3.756 1.00 0.00 O ATOM 38 OE2 GLU A 3 -11.161 -19.471 -2.652 1.00 0.00 O ATOM 0 H GLU A 3 -16.438 -18.734 -0.390 1.00 0.00 H new ATOM 0 HA GLU A 3 -14.040 -19.634 1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.183 -17.939 -1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.764 -18.049 -0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.583 -20.465 -0.844 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.060 -20.426 -1.787 1.00 0.00 H new ATOM 45 N TYR A 4 -13.700 -17.109 1.915 1.00 0.00 N ATOM 46 CA TYR A 4 -13.769 -15.897 2.713 1.00 0.00 C ATOM 47 C TYR A 4 -13.026 -14.754 2.024 1.00 0.00 C ATOM 48 O TYR A 4 -13.528 -13.623 1.962 1.00 0.00 O ATOM 49 CB TYR A 4 -13.231 -16.153 4.120 1.00 0.00 C ATOM 50 CG TYR A 4 -14.230 -16.866 5.011 1.00 0.00 C ATOM 51 CD1 TYR A 4 -15.440 -16.272 5.348 1.00 0.00 C ATOM 52 CD2 TYR A 4 -13.972 -18.139 5.496 1.00 0.00 C ATOM 53 CE1 TYR A 4 -16.360 -16.923 6.138 1.00 0.00 C ATOM 54 CE2 TYR A 4 -14.885 -18.796 6.290 1.00 0.00 C ATOM 55 CZ TYR A 4 -16.080 -18.184 6.608 1.00 0.00 C ATOM 56 OH TYR A 4 -17.001 -18.835 7.399 1.00 0.00 O ATOM 0 H TYR A 4 -12.772 -17.530 1.871 1.00 0.00 H new ATOM 0 HA TYR A 4 -14.813 -15.598 2.807 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -12.321 -16.749 4.053 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -12.957 -15.202 4.578 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -15.663 -15.280 4.983 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -13.039 -18.623 5.247 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -17.296 -16.446 6.387 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -14.667 -19.786 6.662 1.00 0.00 H new ATOM 0 HH TYR A 4 -16.653 -19.717 7.648 1.00 0.00 H new ATOM 66 N SER A 5 -11.857 -15.059 1.466 1.00 0.00 N ATOM 67 CA SER A 5 -11.077 -14.086 0.717 1.00 0.00 C ATOM 68 C SER A 5 -10.535 -14.729 -0.566 1.00 0.00 C ATOM 69 O SER A 5 -9.380 -15.195 -0.590 1.00 0.00 O ATOM 70 CB SER A 5 -9.924 -13.526 1.575 1.00 0.00 C ATOM 71 OG SER A 5 -9.545 -14.429 2.628 1.00 0.00 O ATOM 0 H SER A 5 -11.428 -15.983 1.521 1.00 0.00 H new ATOM 0 HA SER A 5 -11.726 -13.253 0.447 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.061 -13.330 0.938 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.225 -12.572 2.007 1.00 0.00 H new ATOM 0 HG SER A 5 -9.060 -13.936 3.322 1.00 0.00 H new ATOM 77 N PRO A 6 -11.387 -14.861 -1.636 1.00 0.00 N ATOM 78 CA PRO A 6 -10.980 -15.501 -2.891 1.00 0.00 C ATOM 79 C PRO A 6 -9.587 -15.031 -3.326 1.00 0.00 C ATOM 80 O PRO A 6 -9.330 -13.829 -3.372 1.00 0.00 O ATOM 81 CB PRO A 6 -12.050 -15.053 -3.912 1.00 0.00 C ATOM 82 CG PRO A 6 -13.070 -14.249 -3.148 1.00 0.00 C ATOM 83 CD PRO A 6 -12.801 -14.448 -1.674 1.00 0.00 C ATOM 0 HA PRO A 6 -10.916 -16.585 -2.798 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.601 -14.455 -4.705 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.516 -15.916 -4.388 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.000 -13.193 -3.411 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.080 -14.574 -3.400 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.967 -13.531 -1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.453 -15.209 -1.246 1.00 0.00 H new ATOM 91 N LYS A 7 -8.675 -15.988 -3.551 1.00 0.00 N ATOM 92 CA LYS A 7 -7.260 -15.691 -3.888 1.00 0.00 C ATOM 93 C LYS A 7 -7.115 -14.479 -4.807 1.00 0.00 C ATOM 94 O LYS A 7 -6.490 -13.490 -4.430 1.00 0.00 O ATOM 95 CB LYS A 7 -6.527 -16.920 -4.483 1.00 0.00 C ATOM 96 CG LYS A 7 -7.371 -17.803 -5.411 1.00 0.00 C ATOM 97 CD LYS A 7 -7.013 -19.281 -5.261 1.00 0.00 C ATOM 98 CE LYS A 7 -8.173 -20.092 -4.675 1.00 0.00 C ATOM 99 NZ LYS A 7 -8.498 -19.713 -3.267 1.00 0.00 N ATOM 0 H LYS A 7 -8.887 -16.985 -3.507 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.779 -15.442 -2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.656 -16.570 -5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.157 -17.534 -3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.428 -17.660 -5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.219 -17.494 -6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.740 -19.689 -6.234 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.139 -19.380 -4.617 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.057 -19.952 -5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.923 -21.152 -4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.285 -20.511 -2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.928 -18.889 -2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.508 -19.475 -3.196 1.00 0.00 H new ATOM 113 N ARG A 8 -7.728 -14.545 -6.001 1.00 0.00 N ATOM 114 CA ARG A 8 -7.685 -13.423 -6.942 1.00 0.00 C ATOM 115 C ARG A 8 -8.200 -12.153 -6.297 1.00 0.00 C ATOM 116 O ARG A 8 -7.582 -11.097 -6.438 1.00 0.00 O ATOM 117 CB ARG A 8 -8.485 -13.703 -8.214 1.00 0.00 C ATOM 118 CG ARG A 8 -8.499 -12.512 -9.165 1.00 0.00 C ATOM 119 CD ARG A 8 -9.323 -12.784 -10.384 1.00 0.00 C ATOM 120 NE ARG A 8 -8.801 -13.892 -11.191 1.00 0.00 N ATOM 121 CZ ARG A 8 -9.515 -14.558 -12.120 1.00 0.00 C ATOM 122 NH1 ARG A 8 -10.765 -14.179 -12.410 1.00 0.00 N ATOM 123 NH2 ARG A 8 -8.974 -15.568 -12.758 1.00 0.00 N ATOM 0 H ARG A 8 -8.252 -15.355 -6.331 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.639 -13.293 -7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.060 -14.567 -8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.509 -13.963 -7.946 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.894 -11.638 -8.647 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.478 -12.272 -9.462 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.345 -13.012 -10.082 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.365 -11.883 -10.997 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.834 -14.177 -11.039 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.182 -13.383 -11.927 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.301 -14.686 -13.114 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.015 -15.848 -12.551 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.512 -16.074 -13.462 1.00 0.00 H new ATOM 137 N HIS A 9 -9.339 -12.251 -5.616 1.00 0.00 N ATOM 138 CA HIS A 9 -9.933 -11.092 -4.968 1.00 0.00 C ATOM 139 C HIS A 9 -9.007 -10.508 -3.927 1.00 0.00 C ATOM 140 O HIS A 9 -8.764 -9.322 -3.950 1.00 0.00 O ATOM 141 CB HIS A 9 -11.309 -11.390 -4.380 1.00 0.00 C ATOM 142 CG HIS A 9 -12.388 -10.674 -5.111 1.00 0.00 C ATOM 143 ND1 HIS A 9 -12.946 -9.492 -4.671 1.00 0.00 N ATOM 144 CD2 HIS A 9 -12.966 -10.943 -6.304 1.00 0.00 C ATOM 145 CE1 HIS A 9 -13.822 -9.063 -5.565 1.00 0.00 C ATOM 146 NE2 HIS A 9 -13.852 -9.926 -6.570 1.00 0.00 N ATOM 0 H HIS A 9 -9.864 -13.118 -5.501 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.081 -10.343 -5.746 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.495 -12.463 -4.417 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.326 -11.099 -3.330 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -12.719 -9.022 -3.794 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.768 -11.799 -6.932 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -14.413 -8.162 -5.489 1.00 0.00 H new ATOM 155 N ASP A 10 -8.432 -11.354 -3.065 1.00 0.00 N ATOM 156 CA ASP A 10 -7.449 -10.881 -2.056 1.00 0.00 C ATOM 157 C ASP A 10 -6.321 -10.139 -2.773 1.00 0.00 C ATOM 158 O ASP A 10 -6.012 -8.997 -2.440 1.00 0.00 O ATOM 159 CB ASP A 10 -6.878 -12.066 -1.232 1.00 0.00 C ATOM 160 CG ASP A 10 -6.671 -11.755 0.227 1.00 0.00 C ATOM 161 OD1 ASP A 10 -7.656 -11.457 0.919 1.00 0.00 O ATOM 162 OD2 ASP A 10 -5.524 -11.877 0.713 1.00 0.00 O ATOM 0 H ASP A 10 -8.619 -12.356 -3.037 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.950 -10.208 -1.360 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.556 -12.915 -1.319 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.926 -12.372 -1.666 1.00 0.00 H new ATOM 167 N VAL A 11 -5.776 -10.769 -3.824 1.00 0.00 N ATOM 168 CA VAL A 11 -4.746 -10.147 -4.666 1.00 0.00 C ATOM 169 C VAL A 11 -5.266 -8.799 -5.231 1.00 0.00 C ATOM 170 O VAL A 11 -4.700 -7.727 -4.950 1.00 0.00 O ATOM 171 CB VAL A 11 -4.341 -11.093 -5.861 1.00 0.00 C ATOM 172 CG1 VAL A 11 -3.215 -10.511 -6.693 1.00 0.00 C ATOM 173 CG2 VAL A 11 -3.951 -12.478 -5.371 1.00 0.00 C ATOM 0 H VAL A 11 -6.034 -11.713 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.866 -9.973 -4.047 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.225 -11.179 -6.493 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.970 -11.197 -7.504 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.528 -9.553 -7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.337 -10.364 -6.064 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.678 -13.102 -6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.101 -12.398 -4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.793 -12.929 -4.846 1.00 0.00 H new ATOM 183 N ALA A 12 -6.360 -8.867 -6.013 1.00 0.00 N ATOM 184 CA ALA A 12 -6.972 -7.677 -6.629 1.00 0.00 C ATOM 185 C ALA A 12 -7.287 -6.622 -5.585 1.00 0.00 C ATOM 186 O ALA A 12 -6.977 -5.445 -5.772 1.00 0.00 O ATOM 187 CB ALA A 12 -8.239 -8.046 -7.403 1.00 0.00 C ATOM 0 H ALA A 12 -6.840 -9.740 -6.233 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.247 -7.264 -7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.669 -7.148 -7.847 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.990 -8.757 -8.191 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.962 -8.497 -6.723 1.00 0.00 H new ATOM 193 N GLN A 13 -7.876 -7.047 -4.488 1.00 0.00 N ATOM 194 CA GLN A 13 -8.212 -6.163 -3.393 1.00 0.00 C ATOM 195 C GLN A 13 -6.957 -5.533 -2.807 1.00 0.00 C ATOM 196 O GLN A 13 -6.905 -4.316 -2.649 1.00 0.00 O ATOM 197 CB GLN A 13 -9.019 -6.913 -2.318 1.00 0.00 C ATOM 198 CG GLN A 13 -10.527 -6.900 -2.578 1.00 0.00 C ATOM 199 CD GLN A 13 -11.287 -7.944 -1.781 1.00 0.00 C ATOM 200 OE1 GLN A 13 -12.161 -8.638 -2.319 1.00 0.00 O ATOM 201 NE2 GLN A 13 -10.971 -8.072 -0.512 1.00 0.00 N ATOM 0 H GLN A 13 -8.137 -8.020 -4.330 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.839 -5.358 -3.777 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.674 -7.946 -2.269 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.821 -6.464 -1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.921 -5.913 -2.337 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.706 -7.064 -3.641 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.245 -7.482 -0.105 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.451 -8.762 0.066 1.00 0.00 H new ATOM 210 N LEU A 14 -5.917 -6.355 -2.553 1.00 0.00 N ATOM 211 CA LEU A 14 -4.644 -5.845 -2.028 1.00 0.00 C ATOM 212 C LEU A 14 -4.127 -4.718 -2.914 1.00 0.00 C ATOM 213 O LEU A 14 -3.888 -3.599 -2.425 1.00 0.00 O ATOM 214 CB LEU A 14 -3.593 -6.971 -1.891 1.00 0.00 C ATOM 215 CG LEU A 14 -2.417 -6.707 -0.920 1.00 0.00 C ATOM 216 CD1 LEU A 14 -2.913 -6.351 0.478 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.486 -7.913 -0.863 1.00 0.00 C ATOM 0 H LEU A 14 -5.938 -7.364 -2.703 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.823 -5.450 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.105 -7.877 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.180 -7.174 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.860 -5.852 -1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.060 -6.172 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.527 -5.451 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.508 -7.174 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.666 -7.707 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.041 -8.785 -0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.085 -8.110 -1.857 1.00 0.00 H new ATOM 229 N LYS A 15 -4.029 -4.978 -4.234 1.00 0.00 N ATOM 230 CA LYS A 15 -3.614 -3.917 -5.156 1.00 0.00 C ATOM 231 C LYS A 15 -4.607 -2.767 -5.140 1.00 0.00 C ATOM 232 O LYS A 15 -4.205 -1.632 -5.044 1.00 0.00 O ATOM 233 CB LYS A 15 -3.350 -4.391 -6.614 1.00 0.00 C ATOM 234 CG LYS A 15 -4.246 -5.516 -7.132 1.00 0.00 C ATOM 235 CD LYS A 15 -4.873 -5.166 -8.483 1.00 0.00 C ATOM 236 CE LYS A 15 -6.121 -4.282 -8.324 1.00 0.00 C ATOM 237 NZ LYS A 15 -6.439 -3.531 -9.560 1.00 0.00 N ATOM 0 H LYS A 15 -4.225 -5.880 -4.667 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.649 -3.575 -4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.459 -3.533 -7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.313 -4.719 -6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.662 -6.431 -7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.034 -5.716 -6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.139 -4.650 -9.101 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.142 -6.083 -9.007 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.973 -4.905 -8.051 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.964 -3.580 -7.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.446 -3.272 -9.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.859 -2.668 -9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.235 -4.125 -10.389 1.00 0.00 H new ATOM 251 N PHE A 16 -5.917 -3.071 -5.199 1.00 0.00 N ATOM 252 CA PHE A 16 -6.963 -2.021 -5.160 1.00 0.00 C ATOM 253 C PHE A 16 -6.758 -1.085 -3.964 1.00 0.00 C ATOM 254 O PHE A 16 -6.755 0.152 -4.120 1.00 0.00 O ATOM 255 CB PHE A 16 -8.379 -2.629 -5.122 1.00 0.00 C ATOM 256 CG PHE A 16 -8.931 -3.009 -6.479 1.00 0.00 C ATOM 257 CD1 PHE A 16 -8.873 -2.124 -7.544 1.00 0.00 C ATOM 258 CD2 PHE A 16 -9.517 -4.248 -6.682 1.00 0.00 C ATOM 259 CE1 PHE A 16 -9.388 -2.466 -8.774 1.00 0.00 C ATOM 260 CE2 PHE A 16 -10.031 -4.595 -7.916 1.00 0.00 C ATOM 261 CZ PHE A 16 -9.968 -3.702 -8.963 1.00 0.00 C ATOM 0 H PHE A 16 -6.278 -4.022 -5.273 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.869 -1.441 -6.078 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.364 -3.515 -4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.056 -1.914 -4.655 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.418 -1.154 -7.407 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.573 -4.952 -5.865 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -9.337 -1.764 -9.593 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.482 -5.566 -8.060 1.00 0.00 H new ATOM 0 HZ PHE A 16 -10.372 -3.969 -9.928 1.00 0.00 H new ATOM 271 N LEU A 17 -6.532 -1.663 -2.776 1.00 0.00 N ATOM 272 CA LEU A 17 -6.256 -0.853 -1.582 1.00 0.00 C ATOM 273 C LEU A 17 -5.019 0.023 -1.839 1.00 0.00 C ATOM 274 O LEU A 17 -5.043 1.240 -1.600 1.00 0.00 O ATOM 275 CB LEU A 17 -6.037 -1.732 -0.323 1.00 0.00 C ATOM 276 CG LEU A 17 -7.077 -2.848 -0.021 1.00 0.00 C ATOM 277 CD1 LEU A 17 -7.016 -3.266 1.439 1.00 0.00 C ATOM 278 CD2 LEU A 17 -8.498 -2.426 -0.388 1.00 0.00 C ATOM 0 H LEU A 17 -6.534 -2.671 -2.617 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.125 -0.224 -1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.058 -2.203 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.996 -1.071 0.543 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.814 -3.702 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.753 -4.047 1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.020 -3.645 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.232 -2.406 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.189 -3.237 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.774 -1.541 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.546 -2.198 -1.453 1.00 0.00 H new ATOM 290 N CYS A 18 -3.959 -0.594 -2.393 1.00 0.00 N ATOM 291 CA CYS A 18 -2.732 0.131 -2.750 1.00 0.00 C ATOM 292 C CYS A 18 -3.018 1.197 -3.814 1.00 0.00 C ATOM 293 O CYS A 18 -2.671 2.343 -3.627 1.00 0.00 O ATOM 294 CB CYS A 18 -1.635 -0.826 -3.235 1.00 0.00 C ATOM 295 SG CYS A 18 -1.210 -2.136 -2.059 1.00 0.00 S ATOM 0 H CYS A 18 -3.930 -1.592 -2.602 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.372 0.627 -1.849 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.957 -1.285 -4.170 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.738 -0.248 -3.456 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.197 -2.978 -1.972 1.00 0.00 H new ATOM 301 N GLU A 19 -3.683 0.805 -4.912 1.00 0.00 N ATOM 302 CA GLU A 19 -4.071 1.733 -6.004 1.00 0.00 C ATOM 303 C GLU A 19 -4.760 2.970 -5.440 1.00 0.00 C ATOM 304 O GLU A 19 -4.408 4.112 -5.783 1.00 0.00 O ATOM 305 CB GLU A 19 -5.017 1.030 -6.991 1.00 0.00 C ATOM 306 CG GLU A 19 -4.429 -0.197 -7.680 1.00 0.00 C ATOM 307 CD GLU A 19 -4.899 -0.328 -9.082 1.00 0.00 C ATOM 308 OE1 GLU A 19 -4.269 0.254 -9.970 1.00 0.00 O ATOM 309 OE2 GLU A 19 -5.912 -1.005 -9.305 1.00 0.00 O ATOM 0 H GLU A 19 -3.970 -0.160 -5.075 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.164 2.038 -6.526 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.919 0.732 -6.457 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.321 1.747 -7.754 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.341 -0.133 -7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.702 -1.092 -7.121 1.00 0.00 H new ATOM 316 N SER A 20 -5.720 2.739 -4.557 1.00 0.00 N ATOM 317 CA SER A 20 -6.441 3.819 -3.913 1.00 0.00 C ATOM 318 C SER A 20 -5.498 4.636 -3.016 1.00 0.00 C ATOM 319 O SER A 20 -5.370 5.850 -3.200 1.00 0.00 O ATOM 320 CB SER A 20 -7.632 3.266 -3.128 1.00 0.00 C ATOM 321 OG SER A 20 -8.311 2.243 -3.887 1.00 0.00 O ATOM 0 H SER A 20 -6.017 1.806 -4.271 1.00 0.00 H new ATOM 0 HA SER A 20 -6.830 4.492 -4.677 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.289 2.855 -2.179 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.326 4.073 -2.893 1.00 0.00 H new ATOM 0 HG SER A 20 -7.923 1.368 -3.677 1.00 0.00 H new ATOM 327 N LEU A 21 -4.770 3.949 -2.106 1.00 0.00 N ATOM 328 CA LEU A 21 -3.776 4.623 -1.239 1.00 0.00 C ATOM 329 C LEU A 21 -2.785 5.428 -2.079 1.00 0.00 C ATOM 330 O LEU A 21 -2.470 6.564 -1.747 1.00 0.00 O ATOM 331 CB LEU A 21 -3.025 3.615 -0.356 1.00 0.00 C ATOM 332 CG LEU A 21 -2.085 4.224 0.699 1.00 0.00 C ATOM 333 CD1 LEU A 21 -2.694 4.143 2.083 1.00 0.00 C ATOM 334 CD2 LEU A 21 -0.732 3.537 0.672 1.00 0.00 C ATOM 0 H LEU A 21 -4.850 2.944 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.320 5.305 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.758 2.990 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.441 2.959 -1.001 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.943 5.276 0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.008 4.581 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.636 4.690 2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.876 3.099 2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.083 3.983 1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.859 2.475 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.282 3.659 -0.313 1.00 0.00 H new ATOM 346 N TYR A 22 -2.330 4.834 -3.174 1.00 0.00 N ATOM 347 CA TYR A 22 -1.423 5.481 -4.129 1.00 0.00 C ATOM 348 C TYR A 22 -1.955 6.872 -4.474 1.00 0.00 C ATOM 349 O TYR A 22 -1.211 7.858 -4.443 1.00 0.00 O ATOM 350 CB TYR A 22 -1.346 4.609 -5.408 1.00 0.00 C ATOM 351 CG TYR A 22 -0.258 4.939 -6.422 1.00 0.00 C ATOM 352 CD1 TYR A 22 -0.008 6.239 -6.841 1.00 0.00 C ATOM 353 CD2 TYR A 22 0.494 3.922 -6.990 1.00 0.00 C ATOM 354 CE1 TYR A 22 0.958 6.504 -7.784 1.00 0.00 C ATOM 355 CE2 TYR A 22 1.451 4.176 -7.935 1.00 0.00 C ATOM 356 CZ TYR A 22 1.682 5.468 -8.330 1.00 0.00 C ATOM 357 OH TYR A 22 2.636 5.740 -9.281 1.00 0.00 O ATOM 0 H TYR A 22 -2.579 3.879 -3.432 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.428 5.583 -3.695 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.215 3.572 -5.100 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.309 4.671 -5.916 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.580 7.053 -6.421 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.320 2.903 -6.679 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.148 7.521 -8.095 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.019 3.365 -8.366 1.00 0.00 H new ATOM 0 HH TYR A 22 3.205 4.952 -9.408 1.00 0.00 H new ATOM 367 N ASP A 23 -3.262 6.951 -4.754 1.00 0.00 N ATOM 368 CA ASP A 23 -3.903 8.223 -5.089 1.00 0.00 C ATOM 369 C ASP A 23 -4.133 9.069 -3.862 1.00 0.00 C ATOM 370 O ASP A 23 -3.694 10.221 -3.818 1.00 0.00 O ATOM 371 CB ASP A 23 -5.226 8.016 -5.839 1.00 0.00 C ATOM 372 CG ASP A 23 -5.231 8.722 -7.148 1.00 0.00 C ATOM 373 OD1 ASP A 23 -5.188 9.956 -7.160 1.00 0.00 O ATOM 374 OD2 ASP A 23 -5.281 8.046 -8.174 1.00 0.00 O ATOM 0 H ASP A 23 -3.893 6.149 -4.755 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.216 8.751 -5.750 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.391 6.951 -5.999 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.052 8.378 -5.227 1.00 0.00 H new ATOM 379 N GLU A 24 -4.813 8.498 -2.853 1.00 0.00 N ATOM 380 CA GLU A 24 -5.085 9.223 -1.595 1.00 0.00 C ATOM 381 C GLU A 24 -3.787 9.818 -1.035 1.00 0.00 C ATOM 382 O GLU A 24 -3.769 10.956 -0.551 1.00 0.00 O ATOM 383 CB GLU A 24 -5.751 8.311 -0.525 1.00 0.00 C ATOM 384 CG GLU A 24 -6.839 7.363 -1.038 1.00 0.00 C ATOM 385 CD GLU A 24 -8.212 7.753 -0.595 1.00 0.00 C ATOM 386 OE1 GLU A 24 -8.478 7.764 0.609 1.00 0.00 O ATOM 387 OE2 GLU A 24 -9.033 8.065 -1.457 1.00 0.00 O ATOM 0 H GLU A 24 -5.182 7.547 -2.880 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.786 10.025 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.973 7.715 -0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.184 8.947 0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.808 7.339 -2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.625 6.352 -0.691 1.00 0.00 H new ATOM 394 N GLY A 25 -2.706 9.044 -1.113 1.00 0.00 N ATOM 395 CA GLY A 25 -1.423 9.484 -0.638 1.00 0.00 C ATOM 396 C GLY A 25 -0.902 10.637 -1.436 1.00 0.00 C ATOM 397 O GLY A 25 -0.796 11.730 -0.903 1.00 0.00 O ATOM 0 H GLY A 25 -2.708 8.103 -1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.503 9.773 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.714 8.658 -0.687 1.00 0.00 H new ATOM 401 N ILE A 26 -0.632 10.424 -2.739 1.00 0.00 N ATOM 402 CA ILE A 26 -0.160 11.517 -3.611 1.00 0.00 C ATOM 403 C ILE A 26 -1.072 12.745 -3.460 1.00 0.00 C ATOM 404 O ILE A 26 -0.588 13.872 -3.238 1.00 0.00 O ATOM 405 CB ILE A 26 -0.096 11.100 -5.122 1.00 0.00 C ATOM 406 CG1 ILE A 26 0.828 9.891 -5.333 1.00 0.00 C ATOM 407 CG2 ILE A 26 0.382 12.262 -5.981 1.00 0.00 C ATOM 408 CD1 ILE A 26 2.304 10.206 -5.169 1.00 0.00 C ATOM 0 H ILE A 26 -0.730 9.522 -3.204 1.00 0.00 H new ATOM 0 HA ILE A 26 0.854 11.758 -3.292 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.105 10.820 -5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.553 9.109 -4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.662 9.490 -6.333 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.419 11.951 -7.025 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.307 13.100 -5.876 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.377 12.568 -5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.890 9.301 -5.334 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.597 10.965 -5.895 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.487 10.578 -4.161 1.00 0.00 H new ATOM 420 N ALA A 27 -2.391 12.517 -3.541 1.00 0.00 N ATOM 421 CA ALA A 27 -3.375 13.588 -3.388 1.00 0.00 C ATOM 422 C ALA A 27 -3.147 14.373 -2.101 1.00 0.00 C ATOM 423 O ALA A 27 -3.176 15.599 -2.119 1.00 0.00 O ATOM 424 CB ALA A 27 -4.801 13.037 -3.421 1.00 0.00 C ATOM 0 H ALA A 27 -2.797 11.597 -3.712 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.246 14.267 -4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.510 13.856 -3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.976 12.538 -4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.934 12.324 -2.608 1.00 0.00 H new ATOM 430 N THR A 28 -2.936 13.670 -0.993 1.00 0.00 N ATOM 431 CA THR A 28 -2.735 14.325 0.309 1.00 0.00 C ATOM 432 C THR A 28 -1.283 14.791 0.521 1.00 0.00 C ATOM 433 O THR A 28 -1.040 15.792 1.206 1.00 0.00 O ATOM 434 CB THR A 28 -3.159 13.384 1.449 1.00 0.00 C ATOM 435 OG1 THR A 28 -4.364 12.724 1.137 1.00 0.00 O ATOM 436 CG2 THR A 28 -3.344 14.080 2.782 1.00 0.00 C ATOM 0 H THR A 28 -2.899 12.651 -0.963 1.00 0.00 H new ATOM 0 HA THR A 28 -3.362 15.216 0.316 1.00 0.00 H new ATOM 0 HB THR A 28 -2.336 12.677 1.546 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.177 11.961 0.552 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.643 13.351 3.535 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.406 14.547 3.082 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.117 14.843 2.690 1.00 0.00 H new ATOM 444 N LEU A 29 -0.320 14.030 0.012 1.00 0.00 N ATOM 445 CA LEU A 29 1.088 14.321 0.256 1.00 0.00 C ATOM 446 C LEU A 29 1.524 15.651 -0.353 1.00 0.00 C ATOM 447 O LEU A 29 2.432 16.295 0.179 1.00 0.00 O ATOM 448 CB LEU A 29 1.971 13.183 -0.264 1.00 0.00 C ATOM 449 CG LEU A 29 1.888 11.868 0.525 1.00 0.00 C ATOM 450 CD1 LEU A 29 2.401 10.695 -0.295 1.00 0.00 C ATOM 451 CD2 LEU A 29 2.652 11.984 1.826 1.00 0.00 C ATOM 0 H LEU A 29 -0.488 13.210 -0.570 1.00 0.00 H new ATOM 0 HA LEU A 29 1.211 14.406 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.701 12.982 -1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.007 13.522 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 29 0.839 11.679 0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.328 9.780 0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.801 10.593 -1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.442 10.869 -0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.583 11.044 2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.698 12.206 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.226 12.786 2.428 1.00 0.00 H new ATOM 463 N GLY A 30 0.842 16.110 -1.393 1.00 0.00 N ATOM 464 CA GLY A 30 1.162 17.414 -1.968 1.00 0.00 C ATOM 465 C GLY A 30 0.031 18.408 -1.794 1.00 0.00 C ATOM 466 O GLY A 30 -0.127 19.318 -2.618 1.00 0.00 O ATOM 0 H GLY A 30 0.078 15.612 -1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.064 17.806 -1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.381 17.298 -3.029 1.00 0.00 H new ATOM 470 N ASP A 31 -0.790 18.229 -0.742 1.00 0.00 N ATOM 471 CA ASP A 31 -1.942 19.079 -0.505 1.00 0.00 C ATOM 472 C ASP A 31 -1.992 19.589 0.936 1.00 0.00 C ATOM 473 O ASP A 31 -2.836 19.147 1.730 1.00 0.00 O ATOM 474 CB ASP A 31 -3.232 18.318 -0.867 1.00 0.00 C ATOM 475 CG ASP A 31 -4.426 19.191 -1.136 1.00 0.00 C ATOM 476 OD1 ASP A 31 -4.274 20.249 -1.745 1.00 0.00 O ATOM 477 OD2 ASP A 31 -5.539 18.794 -0.765 1.00 0.00 O ATOM 0 H ASP A 31 -0.664 17.494 -0.046 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.853 19.957 -1.145 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.041 17.707 -1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.475 17.636 -0.053 1.00 0.00 H new ATOM 482 N SER A 32 -1.129 20.553 1.267 1.00 0.00 N ATOM 483 CA SER A 32 -1.161 21.171 2.586 1.00 0.00 C ATOM 484 C SER A 32 -2.082 22.363 2.533 1.00 0.00 C ATOM 485 O SER A 32 -1.724 23.417 1.969 1.00 0.00 O ATOM 486 CB SER A 32 0.227 21.588 3.066 1.00 0.00 C ATOM 487 OG SER A 32 0.168 22.407 4.256 1.00 0.00 O ATOM 0 H SER A 32 -0.408 20.917 0.644 1.00 0.00 H new ATOM 0 HA SER A 32 -1.528 20.437 3.304 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.823 20.698 3.268 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.734 22.138 2.273 1.00 0.00 H new ATOM 0 HG SER A 32 0.453 21.879 5.031 1.00 0.00 H new ATOM 493 N HIS A 33 -3.263 22.213 3.089 1.00 0.00 N ATOM 494 CA HIS A 33 -4.255 23.285 3.073 1.00 0.00 C ATOM 495 C HIS A 33 -3.769 24.549 3.809 1.00 0.00 C ATOM 496 O HIS A 33 -4.191 25.667 3.474 1.00 0.00 O ATOM 497 CB HIS A 33 -5.626 22.780 3.565 1.00 0.00 C ATOM 498 CG HIS A 33 -6.006 21.465 2.926 1.00 0.00 C ATOM 499 ND1 HIS A 33 -6.570 20.402 3.609 1.00 0.00 N ATOM 500 CD2 HIS A 33 -5.820 21.030 1.659 1.00 0.00 C ATOM 501 CE1 HIS A 33 -6.701 19.373 2.786 1.00 0.00 C ATOM 502 NE2 HIS A 33 -6.251 19.732 1.596 1.00 0.00 N ATOM 0 H HIS A 33 -3.568 21.361 3.560 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.390 23.595 2.037 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -5.602 22.663 4.648 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.389 23.526 3.341 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -5.406 21.604 0.843 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.106 18.406 3.043 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -6.229 19.139 0.766 1.00 0.00 H new ATOM 511 N HIS A 34 -2.802 24.391 4.730 1.00 0.00 N ATOM 512 CA HIS A 34 -2.186 25.538 5.407 1.00 0.00 C ATOM 513 C HIS A 34 -0.921 26.026 4.667 1.00 0.00 C ATOM 514 O HIS A 34 -0.352 27.065 5.035 1.00 0.00 O ATOM 515 CB HIS A 34 -1.827 25.194 6.857 1.00 0.00 C ATOM 516 CG HIS A 34 -1.718 26.395 7.751 1.00 0.00 C ATOM 517 ND1 HIS A 34 -0.881 27.465 7.492 1.00 0.00 N ATOM 518 CD2 HIS A 34 -2.346 26.685 8.905 1.00 0.00 C ATOM 519 CE1 HIS A 34 -0.998 28.359 8.457 1.00 0.00 C ATOM 520 NE2 HIS A 34 -1.884 27.909 9.330 1.00 0.00 N ATOM 0 H HIS A 34 -2.434 23.485 5.019 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.923 26.341 5.401 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.583 24.520 7.259 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.880 24.655 6.870 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -0.268 27.550 6.681 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.079 26.070 9.406 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -0.463 29.295 8.522 1.00 0.00 H new ATOM 529 N GLY A 35 -0.437 25.260 3.675 1.00 0.00 N ATOM 530 CA GLY A 35 0.781 25.646 2.976 1.00 0.00 C ATOM 531 C GLY A 35 2.038 25.334 3.765 1.00 0.00 C ATOM 532 O GLY A 35 3.096 25.923 3.507 1.00 0.00 O ATOM 0 H GLY A 35 -0.864 24.392 3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.823 25.130 2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.748 26.714 2.762 1.00 0.00 H new ATOM 536 N TRP A 36 1.931 24.456 4.753 1.00 0.00 N ATOM 537 CA TRP A 36 3.062 24.111 5.602 1.00 0.00 C ATOM 538 C TRP A 36 3.041 22.626 5.951 1.00 0.00 C ATOM 539 O TRP A 36 3.714 21.825 5.293 1.00 0.00 O ATOM 540 CB TRP A 36 3.058 24.980 6.876 1.00 0.00 C ATOM 541 CG TRP A 36 4.150 25.990 6.920 1.00 0.00 C ATOM 542 CD1 TRP A 36 4.198 27.181 6.260 1.00 0.00 C ATOM 543 CD2 TRP A 36 5.354 25.896 7.671 1.00 0.00 C ATOM 544 NE1 TRP A 36 5.368 27.830 6.560 1.00 0.00 N ATOM 545 CE2 TRP A 36 6.094 27.063 7.425 1.00 0.00 C ATOM 546 CE3 TRP A 36 5.878 24.933 8.531 1.00 0.00 C ATOM 547 CZ2 TRP A 36 7.333 27.293 8.010 1.00 0.00 C ATOM 548 CZ3 TRP A 36 7.106 25.161 9.111 1.00 0.00 C ATOM 549 CH2 TRP A 36 7.820 26.332 8.849 1.00 0.00 C ATOM 0 H TRP A 36 1.067 23.967 4.987 1.00 0.00 H new ATOM 0 HA TRP A 36 3.983 24.312 5.055 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.099 25.493 6.951 1.00 0.00 H new ATOM 0 HB3 TRP A 36 3.142 24.331 7.747 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.430 27.557 5.600 1.00 0.00 H new ATOM 0 HE1 TRP A 36 5.651 28.740 6.195 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.331 24.025 8.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 7.889 28.197 7.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 7.523 24.422 9.779 1.00 0.00 H new ATOM 0 HH2 TRP A 36 8.780 26.481 9.321 1.00 0.00 H new ATOM 560 N VAL A 37 2.247 22.261 6.957 1.00 0.00 N ATOM 561 CA VAL A 37 2.124 20.873 7.382 1.00 0.00 C ATOM 562 C VAL A 37 0.815 20.262 6.881 1.00 0.00 C ATOM 563 O VAL A 37 -0.083 20.989 6.417 1.00 0.00 O ATOM 564 CB VAL A 37 2.205 20.737 8.937 1.00 0.00 C ATOM 565 CG1 VAL A 37 3.563 21.190 9.445 1.00 0.00 C ATOM 566 CG2 VAL A 37 1.091 21.524 9.629 1.00 0.00 C ATOM 0 H VAL A 37 1.677 22.915 7.494 1.00 0.00 H new ATOM 0 HA VAL A 37 2.962 20.330 6.945 1.00 0.00 H new ATOM 0 HB VAL A 37 2.072 19.683 9.181 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.599 21.087 10.530 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.343 20.575 8.997 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.723 22.234 9.174 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.179 21.406 10.709 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.177 22.580 9.371 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.122 21.148 9.301 1.00 0.00 H new ATOM 576 N ASN A 38 0.696 18.953 7.008 1.00 0.00 N ATOM 577 CA ASN A 38 -0.520 18.236 6.644 1.00 0.00 C ATOM 578 C ASN A 38 -1.049 17.520 7.877 1.00 0.00 C ATOM 579 O ASN A 38 -0.418 16.580 8.368 1.00 0.00 O ATOM 580 CB ASN A 38 -0.253 17.222 5.520 1.00 0.00 C ATOM 581 CG ASN A 38 -0.702 17.730 4.164 1.00 0.00 C ATOM 582 OD1 ASN A 38 0.125 18.100 3.330 1.00 0.00 O ATOM 583 ND2 ASN A 38 -2.006 17.766 3.933 1.00 0.00 N ATOM 0 H ASN A 38 1.439 18.353 7.367 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.257 18.950 6.276 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.812 16.995 5.485 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.771 16.290 5.745 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -2.356 18.109 3.039 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.660 17.451 4.650 1.00 0.00 H new ATOM 590 N ASP A 39 -2.171 18.006 8.418 1.00 0.00 N ATOM 591 CA ASP A 39 -2.754 17.440 9.652 1.00 0.00 C ATOM 592 C ASP A 39 -2.946 15.928 9.549 1.00 0.00 C ATOM 593 O ASP A 39 -3.748 15.460 8.724 1.00 0.00 O ATOM 594 CB ASP A 39 -4.113 18.111 9.986 1.00 0.00 C ATOM 595 CG ASP A 39 -4.864 17.467 11.136 1.00 0.00 C ATOM 596 OD1 ASP A 39 -4.241 16.961 12.082 1.00 0.00 O ATOM 597 OD2 ASP A 39 -6.085 17.471 11.102 1.00 0.00 O ATOM 0 H ASP A 39 -2.697 18.788 8.027 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.045 17.644 10.455 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.937 19.160 10.225 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.744 18.088 9.098 1.00 0.00 H new ATOM 602 N PRO A 40 -2.289 15.137 10.441 1.00 0.00 N ATOM 603 CA PRO A 40 -2.477 13.668 10.494 1.00 0.00 C ATOM 604 C PRO A 40 -3.965 13.273 10.672 1.00 0.00 C ATOM 605 O PRO A 40 -4.347 12.119 10.437 1.00 0.00 O ATOM 606 CB PRO A 40 -1.674 13.249 11.739 1.00 0.00 C ATOM 607 CG PRO A 40 -0.684 14.349 11.946 1.00 0.00 C ATOM 608 CD PRO A 40 -1.367 15.608 11.501 1.00 0.00 C ATOM 0 HA PRO A 40 -2.153 13.186 9.572 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.323 13.133 12.607 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.175 12.292 11.584 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.387 14.415 12.993 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.223 14.172 11.368 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.905 16.085 12.320 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.655 16.339 11.119 1.00 0.00 H new ATOM 616 N THR A 41 -4.771 14.216 11.144 1.00 0.00 N ATOM 617 CA THR A 41 -6.178 14.001 11.413 1.00 0.00 C ATOM 618 C THR A 41 -7.086 14.366 10.215 1.00 0.00 C ATOM 619 O THR A 41 -8.289 14.080 10.245 1.00 0.00 O ATOM 620 CB THR A 41 -6.593 14.789 12.648 1.00 0.00 C ATOM 621 OG1 THR A 41 -5.476 15.078 13.503 1.00 0.00 O ATOM 622 CG2 THR A 41 -7.603 14.075 13.453 1.00 0.00 C ATOM 0 H THR A 41 -4.456 15.164 11.352 1.00 0.00 H new ATOM 0 HA THR A 41 -6.310 12.934 11.589 1.00 0.00 H new ATOM 0 HB THR A 41 -7.018 15.717 12.265 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.992 15.857 13.157 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.867 14.677 14.323 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.493 13.901 12.849 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.196 13.119 13.783 1.00 0.00 H new ATOM 630 N SER A 42 -6.533 15.018 9.202 1.00 0.00 N ATOM 631 CA SER A 42 -7.289 15.404 8.027 1.00 0.00 C ATOM 632 C SER A 42 -7.970 14.164 7.395 1.00 0.00 C ATOM 633 O SER A 42 -7.422 13.050 7.467 1.00 0.00 O ATOM 634 CB SER A 42 -6.360 16.110 7.031 1.00 0.00 C ATOM 635 OG SER A 42 -5.214 15.320 6.708 1.00 0.00 O ATOM 0 H SER A 42 -5.551 15.292 9.175 1.00 0.00 H new ATOM 0 HA SER A 42 -8.078 16.100 8.310 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.912 16.336 6.119 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.036 17.062 7.451 1.00 0.00 H new ATOM 0 HG SER A 42 -4.435 15.657 7.198 1.00 0.00 H new ATOM 641 N ALA A 43 -9.191 14.341 6.847 1.00 0.00 N ATOM 642 CA ALA A 43 -9.985 13.209 6.280 1.00 0.00 C ATOM 643 C ALA A 43 -9.134 12.234 5.503 1.00 0.00 C ATOM 644 O ALA A 43 -9.096 11.045 5.821 1.00 0.00 O ATOM 645 CB ALA A 43 -11.126 13.694 5.394 1.00 0.00 C ATOM 0 H ALA A 43 -9.654 15.248 6.781 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.402 12.691 7.144 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.674 12.836 5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.800 14.321 5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.721 14.273 4.564 1.00 0.00 H new ATOM 651 N VAL A 44 -8.453 12.745 4.489 1.00 0.00 N ATOM 652 CA VAL A 44 -7.609 11.962 3.646 1.00 0.00 C ATOM 653 C VAL A 44 -6.613 11.181 4.487 1.00 0.00 C ATOM 654 O VAL A 44 -6.510 9.957 4.371 1.00 0.00 O ATOM 655 CB VAL A 44 -6.835 12.812 2.612 1.00 0.00 C ATOM 656 CG1 VAL A 44 -7.231 12.468 1.193 1.00 0.00 C ATOM 657 CG2 VAL A 44 -6.953 14.294 2.842 1.00 0.00 C ATOM 0 H VAL A 44 -8.482 13.733 4.237 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.263 11.285 3.096 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.786 12.553 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.665 13.087 0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.017 11.417 1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.297 12.652 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.385 14.827 2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.001 14.589 2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.558 14.542 3.827 1.00 0.00 H new ATOM 667 N ASN A 45 -5.925 11.902 5.381 1.00 0.00 N ATOM 668 CA ASN A 45 -4.965 11.300 6.298 1.00 0.00 C ATOM 669 C ASN A 45 -5.624 10.179 7.097 1.00 0.00 C ATOM 670 O ASN A 45 -5.079 9.080 7.209 1.00 0.00 O ATOM 671 CB ASN A 45 -4.384 12.341 7.256 1.00 0.00 C ATOM 672 CG ASN A 45 -2.913 12.124 7.535 1.00 0.00 C ATOM 673 OD1 ASN A 45 -2.491 11.022 7.874 1.00 0.00 O ATOM 674 ND2 ASN A 45 -2.118 13.177 7.405 1.00 0.00 N ATOM 0 H ASN A 45 -6.021 12.912 5.484 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.151 10.889 5.701 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.526 13.336 6.834 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.936 12.311 8.196 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.119 13.087 7.589 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.506 14.077 7.121 1.00 0.00 H new ATOM 681 N LEU A 46 -6.825 10.455 7.627 1.00 0.00 N ATOM 682 CA LEU A 46 -7.599 9.457 8.380 1.00 0.00 C ATOM 683 C LEU A 46 -7.873 8.238 7.515 1.00 0.00 C ATOM 684 O LEU A 46 -7.617 7.100 7.934 1.00 0.00 O ATOM 685 CB LEU A 46 -8.931 10.043 8.878 1.00 0.00 C ATOM 686 CG LEU A 46 -8.832 11.273 9.779 1.00 0.00 C ATOM 687 CD1 LEU A 46 -10.212 11.724 10.226 1.00 0.00 C ATOM 688 CD2 LEU A 46 -7.927 11.001 10.979 1.00 0.00 C ATOM 0 H LEU A 46 -7.282 11.363 7.548 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.005 9.163 9.245 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.537 10.302 8.010 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.467 9.264 9.420 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.383 12.081 9.202 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.118 12.601 10.867 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.813 11.975 9.352 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.696 10.920 10.780 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.874 11.892 11.604 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.333 10.174 11.561 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.927 10.743 10.630 1.00 0.00 H new ATOM 700 N GLN A 47 -8.373 8.476 6.301 1.00 0.00 N ATOM 701 CA GLN A 47 -8.639 7.426 5.356 1.00 0.00 C ATOM 702 C GLN A 47 -7.395 6.618 5.074 1.00 0.00 C ATOM 703 O GLN A 47 -7.395 5.402 5.232 1.00 0.00 O ATOM 704 CB GLN A 47 -9.142 8.058 4.130 1.00 0.00 C ATOM 705 CG GLN A 47 -10.466 8.754 4.399 1.00 0.00 C ATOM 706 CD GLN A 47 -11.321 8.660 3.252 1.00 0.00 C ATOM 707 OE1 GLN A 47 -12.504 8.319 3.345 1.00 0.00 O ATOM 708 NE2 GLN A 47 -10.764 8.957 2.152 1.00 0.00 N ATOM 0 H GLN A 47 -8.600 9.410 5.959 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.377 6.733 5.760 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.413 8.779 3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.271 7.306 3.352 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.954 8.301 5.262 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.290 9.801 4.645 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.782 9.232 2.136 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.298 8.921 1.284 1.00 0.00 H new ATOM 717 N LEU A 48 -6.298 7.312 4.743 1.00 0.00 N ATOM 718 CA LEU A 48 -4.995 6.660 4.528 1.00 0.00 C ATOM 719 C LEU A 48 -4.584 5.908 5.778 1.00 0.00 C ATOM 720 O LEU A 48 -4.121 4.780 5.699 1.00 0.00 O ATOM 721 CB LEU A 48 -3.932 7.695 4.185 1.00 0.00 C ATOM 722 CG LEU A 48 -4.135 8.379 2.843 1.00 0.00 C ATOM 723 CD1 LEU A 48 -3.728 9.843 2.895 1.00 0.00 C ATOM 724 CD2 LEU A 48 -3.395 7.640 1.746 1.00 0.00 C ATOM 0 H LEU A 48 -6.285 8.324 4.618 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.089 5.962 3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.915 8.454 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.955 7.211 4.189 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.200 8.349 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.887 10.300 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.331 10.362 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.674 9.918 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.554 8.147 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.329 7.623 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.769 6.618 1.680 1.00 0.00 H new ATOM 736 N ASN A 49 -4.795 6.531 6.934 1.00 0.00 N ATOM 737 CA ASN A 49 -4.502 5.899 8.236 1.00 0.00 C ATOM 738 C ASN A 49 -5.221 4.564 8.315 1.00 0.00 C ATOM 739 O ASN A 49 -4.598 3.525 8.598 1.00 0.00 O ATOM 740 CB ASN A 49 -4.941 6.794 9.409 1.00 0.00 C ATOM 741 CG ASN A 49 -3.802 7.559 10.038 1.00 0.00 C ATOM 742 OD1 ASN A 49 -3.345 7.214 11.134 1.00 0.00 O ATOM 743 ND2 ASN A 49 -3.344 8.605 9.377 1.00 0.00 N ATOM 0 H ASN A 49 -5.169 7.477 7.005 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.425 5.752 8.312 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.692 7.500 9.056 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.417 6.176 10.170 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.585 9.163 9.768 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.749 8.856 8.475 1.00 0.00 H new ATOM 750 N ASP A 50 -6.518 4.576 7.969 1.00 0.00 N ATOM 751 CA ASP A 50 -7.305 3.343 7.892 1.00 0.00 C ATOM 752 C ASP A 50 -6.678 2.435 6.864 1.00 0.00 C ATOM 753 O ASP A 50 -6.317 1.302 7.174 1.00 0.00 O ATOM 754 CB ASP A 50 -8.757 3.621 7.483 1.00 0.00 C ATOM 755 CG ASP A 50 -9.525 2.356 7.234 1.00 0.00 C ATOM 756 OD1 ASP A 50 -9.991 1.748 8.202 1.00 0.00 O ATOM 757 OD2 ASP A 50 -9.657 1.959 6.077 1.00 0.00 O ATOM 0 H ASP A 50 -7.038 5.423 7.740 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.312 2.879 8.878 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.250 4.196 8.267 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.768 4.235 6.582 1.00 0.00 H new ATOM 762 N LEU A 51 -6.551 2.961 5.639 1.00 0.00 N ATOM 763 CA LEU A 51 -5.953 2.266 4.509 1.00 0.00 C ATOM 764 C LEU A 51 -4.714 1.506 4.928 1.00 0.00 C ATOM 765 O LEU A 51 -4.643 0.298 4.773 1.00 0.00 O ATOM 766 CB LEU A 51 -5.557 3.276 3.430 1.00 0.00 C ATOM 767 CG LEU A 51 -6.635 3.625 2.428 1.00 0.00 C ATOM 768 CD1 LEU A 51 -6.728 5.119 2.210 1.00 0.00 C ATOM 769 CD2 LEU A 51 -6.359 2.956 1.138 1.00 0.00 C ATOM 0 H LEU A 51 -6.870 3.902 5.409 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.691 1.563 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.232 4.194 3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.697 2.882 2.888 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.587 3.279 2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.513 5.333 1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.963 5.610 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.775 5.492 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.139 3.212 0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.393 3.286 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.341 1.876 1.285 1.00 0.00 H new ATOM 781 N ILE A 52 -3.734 2.239 5.441 1.00 0.00 N ATOM 782 CA ILE A 52 -2.454 1.667 5.861 1.00 0.00 C ATOM 783 C ILE A 52 -2.655 0.410 6.729 1.00 0.00 C ATOM 784 O ILE A 52 -2.122 -0.657 6.413 1.00 0.00 O ATOM 785 CB ILE A 52 -1.571 2.724 6.607 1.00 0.00 C ATOM 786 CG1 ILE A 52 -1.243 3.899 5.686 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.279 2.123 7.151 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.897 5.157 6.436 1.00 0.00 C ATOM 0 H ILE A 52 -3.801 3.247 5.579 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.924 1.367 4.957 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.156 3.077 7.456 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.408 3.626 5.041 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.096 4.093 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.297 2.897 7.659 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.517 1.326 7.856 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.308 1.716 6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.674 5.954 5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.740 5.452 7.060 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.025 4.977 7.065 1.00 0.00 H new ATOM 800 N GLU A 53 -3.468 0.527 7.778 1.00 0.00 N ATOM 801 CA GLU A 53 -3.758 -0.609 8.654 1.00 0.00 C ATOM 802 C GLU A 53 -4.622 -1.640 7.952 1.00 0.00 C ATOM 803 O GLU A 53 -4.350 -2.851 8.005 1.00 0.00 O ATOM 804 CB GLU A 53 -4.434 -0.150 9.932 1.00 0.00 C ATOM 805 CG GLU A 53 -3.646 -0.537 11.145 1.00 0.00 C ATOM 806 CD GLU A 53 -4.105 -1.825 11.734 1.00 0.00 C ATOM 807 OE1 GLU A 53 -5.243 -1.896 12.190 1.00 0.00 O ATOM 808 OE2 GLU A 53 -3.336 -2.778 11.739 1.00 0.00 O ATOM 0 H GLU A 53 -3.937 1.394 8.042 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.806 -1.074 8.909 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.559 0.933 9.909 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.432 -0.585 9.992 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.592 -0.617 10.879 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.727 0.251 11.894 1.00 0.00 H new ATOM 815 N HIS A 54 -5.647 -1.156 7.276 1.00 0.00 N ATOM 816 CA HIS A 54 -6.561 -1.994 6.507 1.00 0.00 C ATOM 817 C HIS A 54 -5.761 -2.882 5.560 1.00 0.00 C ATOM 818 O HIS A 54 -5.947 -4.101 5.533 1.00 0.00 O ATOM 819 CB HIS A 54 -7.543 -1.117 5.720 1.00 0.00 C ATOM 820 CG HIS A 54 -8.808 -1.806 5.306 1.00 0.00 C ATOM 821 ND1 HIS A 54 -9.912 -1.117 4.860 1.00 0.00 N ATOM 822 CD2 HIS A 54 -9.155 -3.122 5.287 1.00 0.00 C ATOM 823 CE1 HIS A 54 -10.886 -1.973 4.584 1.00 0.00 C ATOM 824 NE2 HIS A 54 -10.452 -3.198 4.834 1.00 0.00 N ATOM 0 H HIS A 54 -5.874 -0.162 7.242 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.133 -2.625 7.187 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.800 -0.249 6.327 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.040 -0.744 4.828 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -8.528 -3.953 5.574 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.868 -1.714 4.217 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -10.990 -4.056 4.711 1.00 0.00 H new ATOM 833 N ILE A 55 -4.813 -2.271 4.849 1.00 0.00 N ATOM 834 CA ILE A 55 -3.912 -2.994 3.978 1.00 0.00 C ATOM 835 C ILE A 55 -2.955 -3.845 4.823 1.00 0.00 C ATOM 836 O ILE A 55 -2.729 -4.990 4.505 1.00 0.00 O ATOM 837 CB ILE A 55 -3.094 -2.040 3.049 1.00 0.00 C ATOM 838 CG1 ILE A 55 -4.017 -1.124 2.246 1.00 0.00 C ATOM 839 CG2 ILE A 55 -2.218 -2.831 2.092 1.00 0.00 C ATOM 840 CD1 ILE A 55 -3.302 0.047 1.615 1.00 0.00 C ATOM 0 H ILE A 55 -4.656 -1.263 4.867 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.516 -3.634 3.335 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.461 -1.429 3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.504 -1.707 1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.804 -0.749 2.901 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.660 -2.143 1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.521 -3.447 2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.844 -3.471 1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.018 0.654 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.838 0.653 2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.534 -0.320 0.934 1.00 0.00 H new ATOM 852 N ALA A 56 -2.425 -3.276 5.922 1.00 0.00 N ATOM 853 CA ALA A 56 -1.509 -4.008 6.826 1.00 0.00 C ATOM 854 C ALA A 56 -2.115 -5.328 7.254 1.00 0.00 C ATOM 855 O ALA A 56 -1.564 -6.400 6.980 1.00 0.00 O ATOM 856 CB ALA A 56 -1.154 -3.164 8.062 1.00 0.00 C ATOM 0 H ALA A 56 -2.613 -2.315 6.207 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.592 -4.207 6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.480 -3.728 8.707 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.666 -2.242 7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.064 -2.922 8.611 1.00 0.00 H new ATOM 862 N SER A 57 -3.282 -5.253 7.869 1.00 0.00 N ATOM 863 CA SER A 57 -3.997 -6.445 8.298 1.00 0.00 C ATOM 864 C SER A 57 -4.332 -7.327 7.093 1.00 0.00 C ATOM 865 O SER A 57 -4.220 -8.559 7.155 1.00 0.00 O ATOM 866 CB SER A 57 -5.255 -6.073 9.091 1.00 0.00 C ATOM 867 OG SER A 57 -6.010 -5.011 8.459 1.00 0.00 O ATOM 0 H SER A 57 -3.757 -4.376 8.084 1.00 0.00 H new ATOM 0 HA SER A 57 -3.351 -7.017 8.964 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.889 -6.953 9.196 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.970 -5.764 10.097 1.00 0.00 H new ATOM 0 HG SER A 57 -5.466 -4.196 8.429 1.00 0.00 H new ATOM 873 N PHE A 58 -4.645 -6.680 5.961 1.00 0.00 N ATOM 874 CA PHE A 58 -4.888 -7.390 4.717 1.00 0.00 C ATOM 875 C PHE A 58 -3.648 -8.182 4.340 1.00 0.00 C ATOM 876 O PHE A 58 -3.739 -9.364 4.053 1.00 0.00 O ATOM 877 CB PHE A 58 -5.263 -6.424 3.595 1.00 0.00 C ATOM 878 CG PHE A 58 -6.127 -7.043 2.546 1.00 0.00 C ATOM 879 CD1 PHE A 58 -5.585 -7.867 1.577 1.00 0.00 C ATOM 880 CD2 PHE A 58 -7.488 -6.811 2.534 1.00 0.00 C ATOM 881 CE1 PHE A 58 -6.382 -8.443 0.619 1.00 0.00 C ATOM 882 CE2 PHE A 58 -8.288 -7.384 1.580 1.00 0.00 C ATOM 883 CZ PHE A 58 -7.736 -8.204 0.618 1.00 0.00 C ATOM 0 H PHE A 58 -4.734 -5.666 5.891 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.727 -8.071 4.861 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.781 -5.565 4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.352 -6.047 3.130 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.522 -8.060 1.574 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.927 -6.171 3.285 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.946 -9.083 -0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -9.351 -7.193 1.581 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.365 -8.657 -0.134 1.00 0.00 H new ATOM 893 N VAL A 59 -2.478 -7.531 4.425 1.00 0.00 N ATOM 894 CA VAL A 59 -1.203 -8.180 4.178 1.00 0.00 C ATOM 895 C VAL A 59 -1.073 -9.397 5.074 1.00 0.00 C ATOM 896 O VAL A 59 -0.807 -10.474 4.583 1.00 0.00 O ATOM 897 CB VAL A 59 0.001 -7.222 4.408 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.329 -7.925 4.138 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.128 -5.992 3.529 1.00 0.00 C ATOM 0 H VAL A 59 -2.400 -6.543 4.667 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.182 -8.480 3.130 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.012 -6.915 5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.150 -7.229 4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.432 -8.778 4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.354 -8.271 3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.722 -5.331 3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.147 -6.294 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.051 -5.466 3.772 1.00 0.00 H new ATOM 909 N MET A 60 -1.341 -9.237 6.385 1.00 0.00 N ATOM 910 CA MET A 60 -1.313 -10.393 7.301 1.00 0.00 C ATOM 911 C MET A 60 -2.198 -11.516 6.738 1.00 0.00 C ATOM 912 O MET A 60 -1.736 -12.641 6.553 1.00 0.00 O ATOM 913 CB MET A 60 -1.803 -10.029 8.711 1.00 0.00 C ATOM 914 CG MET A 60 -0.753 -9.449 9.611 1.00 0.00 C ATOM 915 SD MET A 60 -1.387 -8.107 10.623 1.00 0.00 S ATOM 916 CE MET A 60 -0.745 -6.701 9.748 1.00 0.00 C ATOM 0 H MET A 60 -1.573 -8.346 6.823 1.00 0.00 H new ATOM 0 HA MET A 60 -0.277 -10.722 7.380 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.621 -9.314 8.623 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.211 -10.924 9.181 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.358 -10.233 10.257 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.078 -9.084 9.008 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.515 -5.933 9.678 1.00 0.00 H new ATOM 0 HE2 MET A 60 0.117 -6.302 10.283 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.442 -7.004 8.746 1.00 0.00 H new ATOM 926 N SER A 61 -3.449 -11.162 6.376 1.00 0.00 N ATOM 927 CA SER A 61 -4.378 -12.114 5.757 1.00 0.00 C ATOM 928 C SER A 61 -3.756 -12.679 4.483 1.00 0.00 C ATOM 929 O SER A 61 -3.857 -13.890 4.208 1.00 0.00 O ATOM 930 CB SER A 61 -5.757 -11.440 5.482 1.00 0.00 C ATOM 931 OG SER A 61 -6.146 -11.497 4.095 1.00 0.00 O ATOM 0 H SER A 61 -3.832 -10.225 6.504 1.00 0.00 H new ATOM 0 HA SER A 61 -4.560 -12.941 6.443 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.521 -11.928 6.088 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.716 -10.398 5.799 1.00 0.00 H new ATOM 0 HG SER A 61 -7.017 -11.062 3.981 1.00 0.00 H new ATOM 937 N PHE A 62 -3.126 -11.811 3.703 1.00 0.00 N ATOM 938 CA PHE A 62 -2.454 -12.205 2.485 1.00 0.00 C ATOM 939 C PHE A 62 -1.388 -13.242 2.819 1.00 0.00 C ATOM 940 O PHE A 62 -1.384 -14.327 2.254 1.00 0.00 O ATOM 941 CB PHE A 62 -1.819 -10.981 1.815 1.00 0.00 C ATOM 942 CG PHE A 62 -1.507 -11.176 0.359 1.00 0.00 C ATOM 943 CD1 PHE A 62 -2.524 -11.223 -0.581 1.00 0.00 C ATOM 944 CD2 PHE A 62 -0.196 -11.314 -0.070 1.00 0.00 C ATOM 945 CE1 PHE A 62 -2.240 -11.404 -1.918 1.00 0.00 C ATOM 946 CE2 PHE A 62 0.094 -11.496 -1.406 1.00 0.00 C ATOM 947 CZ PHE A 62 -0.928 -11.540 -2.331 1.00 0.00 C ATOM 0 H PHE A 62 -3.070 -10.812 3.903 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.174 -12.639 1.791 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.493 -10.131 1.921 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.900 -10.727 2.342 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.551 -11.117 -0.263 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.608 -11.279 0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.041 -11.439 -2.641 1.00 0.00 H new ATOM 0 HE2 PHE A 62 1.119 -11.604 -1.727 1.00 0.00 H new ATOM 0 HZ PHE A 62 -0.703 -11.681 -3.378 1.00 0.00 H new ATOM 957 N LYS A 63 -0.550 -12.933 3.821 1.00 0.00 N ATOM 958 CA LYS A 63 0.489 -13.858 4.311 1.00 0.00 C ATOM 959 C LYS A 63 -0.100 -15.206 4.761 1.00 0.00 C ATOM 960 O LYS A 63 0.593 -16.210 4.734 1.00 0.00 O ATOM 961 CB LYS A 63 1.331 -13.236 5.453 1.00 0.00 C ATOM 962 CG LYS A 63 1.634 -11.740 5.289 1.00 0.00 C ATOM 963 CD LYS A 63 2.983 -11.343 5.871 1.00 0.00 C ATOM 964 CE LYS A 63 2.868 -10.900 7.336 1.00 0.00 C ATOM 965 NZ LYS A 63 3.584 -9.620 7.604 1.00 0.00 N ATOM 0 H LYS A 63 -0.571 -12.040 4.313 1.00 0.00 H new ATOM 0 HA LYS A 63 1.150 -14.043 3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.804 -13.384 6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.274 -13.777 5.526 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.611 -11.484 4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.849 -11.160 5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.671 -12.186 5.800 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.409 -10.533 5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.816 -10.785 7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.272 -11.680 7.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.373 -9.794 8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.953 -9.235 6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.926 -8.936 8.029 1.00 0.00 H new ATOM 979 N ILE A 64 -1.376 -15.233 5.141 1.00 0.00 N ATOM 980 CA ILE A 64 -2.028 -16.483 5.527 1.00 0.00 C ATOM 981 C ILE A 64 -2.219 -17.372 4.288 1.00 0.00 C ATOM 982 O ILE A 64 -2.120 -18.597 4.378 1.00 0.00 O ATOM 983 CB ILE A 64 -3.411 -16.246 6.221 1.00 0.00 C ATOM 984 CG1 ILE A 64 -3.283 -15.240 7.372 1.00 0.00 C ATOM 985 CG2 ILE A 64 -3.994 -17.557 6.740 1.00 0.00 C ATOM 986 CD1 ILE A 64 -4.526 -15.130 8.230 1.00 0.00 C ATOM 0 H ILE A 64 -1.976 -14.409 5.190 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.380 -16.977 6.251 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.088 -15.835 5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.442 -15.529 8.003 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.050 -14.258 6.960 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.955 -17.364 7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.134 -18.247 5.908 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.310 -17.997 7.466 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.358 -14.400 9.022 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.366 -14.810 7.614 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.749 -16.101 8.673 1.00 0.00 H new ATOM 998 N LYS A 65 -2.474 -16.753 3.128 1.00 0.00 N ATOM 999 CA LYS A 65 -2.670 -17.505 1.896 1.00 0.00 C ATOM 1000 C LYS A 65 -1.414 -17.535 1.012 1.00 0.00 C ATOM 1001 O LYS A 65 -1.095 -18.576 0.434 1.00 0.00 O ATOM 1002 CB LYS A 65 -3.896 -17.011 1.085 1.00 0.00 C ATOM 1003 CG LYS A 65 -4.445 -15.638 1.488 1.00 0.00 C ATOM 1004 CD LYS A 65 -5.850 -15.392 0.920 1.00 0.00 C ATOM 1005 CE LYS A 65 -6.738 -14.597 1.898 1.00 0.00 C ATOM 1006 NZ LYS A 65 -5.980 -13.578 2.650 1.00 0.00 N ATOM 0 H LYS A 65 -2.548 -15.741 3.024 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.873 -18.528 2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.622 -16.978 0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.695 -17.746 1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.475 -15.564 2.575 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.769 -14.859 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.770 -14.848 -0.021 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.323 -16.348 0.696 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.540 -14.112 1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.208 -15.286 2.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.643 -12.931 3.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.384 -14.045 3.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.378 -13.039 1.995 1.00 0.00 H new ATOM 1020 N TYR A 66 -0.729 -16.395 0.873 1.00 0.00 N ATOM 1021 CA TYR A 66 0.454 -16.308 0.008 1.00 0.00 C ATOM 1022 C TYR A 66 1.667 -15.691 0.711 1.00 0.00 C ATOM 1023 O TYR A 66 2.233 -14.694 0.250 1.00 0.00 O ATOM 1024 CB TYR A 66 0.118 -15.560 -1.282 1.00 0.00 C ATOM 1025 CG TYR A 66 -0.811 -16.337 -2.172 1.00 0.00 C ATOM 1026 CD1 TYR A 66 -0.322 -17.324 -3.007 1.00 0.00 C ATOM 1027 CD2 TYR A 66 -2.176 -16.095 -2.166 1.00 0.00 C ATOM 1028 CE1 TYR A 66 -1.165 -18.048 -3.817 1.00 0.00 C ATOM 1029 CE2 TYR A 66 -3.026 -16.815 -2.973 1.00 0.00 C ATOM 1030 CZ TYR A 66 -2.516 -17.789 -3.796 1.00 0.00 C ATOM 1031 OH TYR A 66 -3.361 -18.503 -4.606 1.00 0.00 O ATOM 0 H TYR A 66 -0.971 -15.524 1.345 1.00 0.00 H new ATOM 0 HA TYR A 66 0.741 -17.329 -0.242 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.338 -14.602 -1.034 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.039 -15.344 -1.824 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.738 -17.530 -3.024 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.578 -15.330 -1.518 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.769 -18.815 -4.466 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.087 -16.616 -2.959 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.468 -18.035 -5.461 1.00 0.00 H new ATOM 1041 N PRO A 67 2.146 -16.328 1.802 1.00 0.00 N ATOM 1042 CA PRO A 67 3.358 -15.878 2.505 1.00 0.00 C ATOM 1043 C PRO A 67 4.622 -16.138 1.673 1.00 0.00 C ATOM 1044 O PRO A 67 5.624 -15.422 1.804 1.00 0.00 O ATOM 1045 CB PRO A 67 3.378 -16.749 3.762 1.00 0.00 C ATOM 1046 CG PRO A 67 2.651 -17.997 3.374 1.00 0.00 C ATOM 1047 CD PRO A 67 1.602 -17.582 2.384 1.00 0.00 C ATOM 0 HA PRO A 67 3.345 -14.807 2.708 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.399 -16.967 4.076 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.888 -16.249 4.597 1.00 0.00 H new ATOM 0 HG2 PRO A 67 3.334 -18.724 2.935 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.198 -18.470 4.245 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.448 -18.344 1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.639 -17.415 2.867 1.00 0.00 H new ATOM 1055 N ASP A 68 4.573 -17.189 0.824 1.00 0.00 N ATOM 1056 CA ASP A 68 5.723 -17.574 0.002 1.00 0.00 C ATOM 1057 C ASP A 68 6.116 -16.503 -0.990 1.00 0.00 C ATOM 1058 O ASP A 68 7.243 -16.499 -1.472 1.00 0.00 O ATOM 1059 CB ASP A 68 5.510 -18.914 -0.700 1.00 0.00 C ATOM 1060 CG ASP A 68 6.672 -19.834 -0.537 1.00 0.00 C ATOM 1061 OD1 ASP A 68 6.820 -20.418 0.544 1.00 0.00 O ATOM 1062 OD2 ASP A 68 7.437 -19.984 -1.489 1.00 0.00 O ATOM 0 H ASP A 68 3.750 -17.778 0.696 1.00 0.00 H new ATOM 0 HA ASP A 68 6.555 -17.692 0.696 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.614 -19.391 -0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.334 -18.741 -1.762 1.00 0.00 H new ATOM 1067 N ASP A 69 5.214 -15.579 -1.256 1.00 0.00 N ATOM 1068 CA ASP A 69 5.441 -14.468 -2.111 1.00 0.00 C ATOM 1069 C ASP A 69 5.781 -13.226 -1.272 1.00 0.00 C ATOM 1070 O ASP A 69 5.300 -12.112 -1.554 1.00 0.00 O ATOM 1071 CB ASP A 69 4.199 -14.209 -2.878 1.00 0.00 C ATOM 1072 CG ASP A 69 3.870 -15.284 -3.868 1.00 0.00 C ATOM 1073 OD1 ASP A 69 4.320 -15.187 -5.011 1.00 0.00 O ATOM 1074 OD2 ASP A 69 3.202 -16.264 -3.503 1.00 0.00 O ATOM 0 H ASP A 69 4.274 -15.597 -0.860 1.00 0.00 H new ATOM 0 HA ASP A 69 6.271 -14.682 -2.785 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.368 -14.101 -2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.298 -13.260 -3.405 1.00 0.00 H new ATOM 1079 N GLY A 70 6.535 -13.445 -0.198 1.00 0.00 N ATOM 1080 CA GLY A 70 6.889 -12.414 0.763 1.00 0.00 C ATOM 1081 C GLY A 70 7.191 -11.057 0.173 1.00 0.00 C ATOM 1082 O GLY A 70 6.811 -10.057 0.761 1.00 0.00 O ATOM 0 H GLY A 70 6.922 -14.361 0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.071 -12.308 1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 70 7.760 -12.749 1.326 1.00 0.00 H new ATOM 1086 N ASP A 71 7.814 -11.011 -1.021 1.00 0.00 N ATOM 1087 CA ASP A 71 8.139 -9.717 -1.683 1.00 0.00 C ATOM 1088 C ASP A 71 6.908 -8.844 -1.766 1.00 0.00 C ATOM 1089 O ASP A 71 6.953 -7.661 -1.424 1.00 0.00 O ATOM 1090 CB ASP A 71 8.693 -9.924 -3.108 1.00 0.00 C ATOM 1091 CG ASP A 71 10.130 -10.351 -3.175 1.00 0.00 C ATOM 1092 OD1 ASP A 71 10.926 -9.988 -2.293 1.00 0.00 O ATOM 1093 OD2 ASP A 71 10.476 -11.044 -4.139 1.00 0.00 O ATOM 0 H ASP A 71 8.101 -11.837 -1.546 1.00 0.00 H new ATOM 0 HA ASP A 71 8.905 -9.234 -1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.083 -10.673 -3.613 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.580 -8.993 -3.664 1.00 0.00 H new ATOM 1098 N LEU A 72 5.803 -9.433 -2.227 1.00 0.00 N ATOM 1099 CA LEU A 72 4.547 -8.717 -2.344 1.00 0.00 C ATOM 1100 C LEU A 72 4.135 -8.150 -0.994 1.00 0.00 C ATOM 1101 O LEU A 72 4.030 -6.933 -0.842 1.00 0.00 O ATOM 1102 CB LEU A 72 3.442 -9.634 -2.907 1.00 0.00 C ATOM 1103 CG LEU A 72 2.214 -8.936 -3.545 1.00 0.00 C ATOM 1104 CD1 LEU A 72 2.574 -7.582 -4.148 1.00 0.00 C ATOM 1105 CD2 LEU A 72 1.570 -9.827 -4.594 1.00 0.00 C ATOM 0 H LEU A 72 5.760 -10.408 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 72 4.687 -7.891 -3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.890 -10.286 -3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.087 -10.274 -2.099 1.00 0.00 H new ATOM 0 HG LEU A 72 1.496 -8.759 -2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.683 -7.129 -4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.968 -6.930 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.328 -7.718 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.711 -9.316 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.294 -10.048 -5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.243 -10.757 -4.130 1.00 0.00 H new ATOM 1117 N SER A 73 3.985 -9.030 0.003 1.00 0.00 N ATOM 1118 CA SER A 73 3.628 -8.603 1.368 1.00 0.00 C ATOM 1119 C SER A 73 4.631 -7.565 1.874 1.00 0.00 C ATOM 1120 O SER A 73 4.253 -6.453 2.252 1.00 0.00 O ATOM 1121 CB SER A 73 3.566 -9.813 2.311 1.00 0.00 C ATOM 1122 OG SER A 73 2.703 -10.829 1.780 1.00 0.00 O ATOM 0 H SER A 73 4.104 -10.037 -0.105 1.00 0.00 H new ATOM 0 HA SER A 73 2.640 -8.143 1.346 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.567 -10.219 2.455 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.205 -9.498 3.290 1.00 0.00 H new ATOM 0 HG SER A 73 2.801 -11.649 2.307 1.00 0.00 H new ATOM 1128 N GLU A 74 5.904 -7.922 1.788 1.00 0.00 N ATOM 1129 CA GLU A 74 7.016 -7.090 2.132 1.00 0.00 C ATOM 1130 C GLU A 74 6.862 -5.671 1.573 1.00 0.00 C ATOM 1131 O GLU A 74 6.948 -4.686 2.326 1.00 0.00 O ATOM 1132 CB GLU A 74 8.274 -7.741 1.563 1.00 0.00 C ATOM 1133 CG GLU A 74 9.536 -7.217 2.120 1.00 0.00 C ATOM 1134 CD GLU A 74 10.648 -8.189 2.023 1.00 0.00 C ATOM 1135 OE1 GLU A 74 10.618 -9.198 2.720 1.00 0.00 O ATOM 1136 OE2 GLU A 74 11.556 -7.961 1.239 1.00 0.00 O ATOM 0 H GLU A 74 6.188 -8.845 1.460 1.00 0.00 H new ATOM 0 HA GLU A 74 7.075 -6.999 3.217 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.228 -8.814 1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.283 -7.603 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.810 -6.303 1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.384 -6.948 3.165 1.00 0.00 H new ATOM 1143 N LEU A 75 6.647 -5.578 0.265 1.00 0.00 N ATOM 1144 CA LEU A 75 6.498 -4.295 -0.410 1.00 0.00 C ATOM 1145 C LEU A 75 5.231 -3.612 0.037 1.00 0.00 C ATOM 1146 O LEU A 75 5.248 -2.422 0.377 1.00 0.00 O ATOM 1147 CB LEU A 75 6.489 -4.476 -1.935 1.00 0.00 C ATOM 1148 CG LEU A 75 6.982 -3.284 -2.794 1.00 0.00 C ATOM 1149 CD1 LEU A 75 7.487 -2.124 -1.950 1.00 0.00 C ATOM 1150 CD2 LEU A 75 8.053 -3.741 -3.746 1.00 0.00 C ATOM 0 H LEU A 75 6.572 -6.385 -0.354 1.00 0.00 H new ATOM 0 HA LEU A 75 7.351 -3.671 -0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.104 -5.343 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.470 -4.714 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 75 6.124 -2.917 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.820 -1.317 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.683 -1.764 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.321 -2.459 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.392 -2.896 -4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.893 -4.146 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.651 -4.513 -4.403 1.00 0.00 H new ATOM 1162 N VAL A 76 4.130 -4.368 0.061 1.00 0.00 N ATOM 1163 CA VAL A 76 2.855 -3.823 0.527 1.00 0.00 C ATOM 1164 C VAL A 76 3.063 -3.185 1.909 1.00 0.00 C ATOM 1165 O VAL A 76 2.745 -2.007 2.101 1.00 0.00 O ATOM 1166 CB VAL A 76 1.708 -4.896 0.605 1.00 0.00 C ATOM 1167 CG1 VAL A 76 0.396 -4.251 1.018 1.00 0.00 C ATOM 1168 CG2 VAL A 76 1.516 -5.626 -0.721 1.00 0.00 C ATOM 0 H VAL A 76 4.096 -5.344 -0.232 1.00 0.00 H new ATOM 0 HA VAL A 76 2.533 -3.081 -0.204 1.00 0.00 H new ATOM 0 HB VAL A 76 2.010 -5.626 1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.384 -5.011 1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.511 -3.787 1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.118 -3.491 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.714 -6.357 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.256 -4.907 -1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.440 -6.136 -0.993 1.00 0.00 H new ATOM 1178 N GLU A 77 3.673 -3.948 2.835 1.00 0.00 N ATOM 1179 CA GLU A 77 3.982 -3.441 4.183 1.00 0.00 C ATOM 1180 C GLU A 77 4.906 -2.221 4.111 1.00 0.00 C ATOM 1181 O GLU A 77 4.610 -1.176 4.704 1.00 0.00 O ATOM 1182 CB GLU A 77 4.601 -4.534 5.054 1.00 0.00 C ATOM 1183 CG GLU A 77 3.678 -5.725 5.316 1.00 0.00 C ATOM 1184 CD GLU A 77 4.336 -6.802 6.114 1.00 0.00 C ATOM 1185 OE1 GLU A 77 4.920 -6.493 7.170 1.00 0.00 O ATOM 1186 OE2 GLU A 77 4.278 -7.977 5.703 1.00 0.00 O ATOM 0 H GLU A 77 3.960 -4.913 2.675 1.00 0.00 H new ATOM 0 HA GLU A 77 3.044 -3.132 4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.512 -4.893 4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.894 -4.099 6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.788 -5.380 5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.345 -6.137 4.364 1.00 0.00 H new ATOM 1193 N GLU A 78 5.991 -2.337 3.325 1.00 0.00 N ATOM 1194 CA GLU A 78 6.922 -1.216 3.092 1.00 0.00 C ATOM 1195 C GLU A 78 6.130 0.037 2.706 1.00 0.00 C ATOM 1196 O GLU A 78 6.356 1.129 3.251 1.00 0.00 O ATOM 1197 CB GLU A 78 7.900 -1.566 1.962 1.00 0.00 C ATOM 1198 CG GLU A 78 9.303 -1.027 2.143 1.00 0.00 C ATOM 1199 CD GLU A 78 10.117 -1.207 0.914 1.00 0.00 C ATOM 1200 OE1 GLU A 78 10.463 -2.358 0.593 1.00 0.00 O ATOM 1201 OE2 GLU A 78 10.394 -0.222 0.239 1.00 0.00 O ATOM 0 H GLU A 78 6.246 -3.197 2.839 1.00 0.00 H new ATOM 0 HA GLU A 78 7.485 -1.029 4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.952 -2.651 1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.499 -1.185 1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.257 0.032 2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.785 -1.536 2.978 1.00 0.00 H new ATOM 1208 N TYR A 79 5.182 -0.144 1.782 1.00 0.00 N ATOM 1209 CA TYR A 79 4.309 0.930 1.338 1.00 0.00 C ATOM 1210 C TYR A 79 3.554 1.512 2.528 1.00 0.00 C ATOM 1211 O TYR A 79 3.577 2.729 2.754 1.00 0.00 O ATOM 1212 CB TYR A 79 3.324 0.420 0.273 1.00 0.00 C ATOM 1213 CG TYR A 79 2.799 1.483 -0.660 1.00 0.00 C ATOM 1214 CD1 TYR A 79 3.604 2.531 -1.083 1.00 0.00 C ATOM 1215 CD2 TYR A 79 1.495 1.432 -1.124 1.00 0.00 C ATOM 1216 CE1 TYR A 79 3.129 3.487 -1.936 1.00 0.00 C ATOM 1217 CE2 TYR A 79 1.008 2.391 -1.981 1.00 0.00 C ATOM 1218 CZ TYR A 79 1.827 3.416 -2.385 1.00 0.00 C ATOM 1219 OH TYR A 79 1.347 4.364 -3.250 1.00 0.00 O ATOM 0 H TYR A 79 5.004 -1.039 1.326 1.00 0.00 H new ATOM 0 HA TYR A 79 4.919 1.715 0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.817 -0.352 -0.318 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.480 -0.053 0.775 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.624 2.592 -0.732 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.850 0.626 -0.808 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.770 4.295 -2.257 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.011 2.338 -2.334 1.00 0.00 H new ATOM 0 HH TYR A 79 1.256 5.219 -2.780 1.00 0.00 H new ATOM 1229 N LEU A 80 2.909 0.644 3.308 1.00 0.00 N ATOM 1230 CA LEU A 80 2.179 1.076 4.520 1.00 0.00 C ATOM 1231 C LEU A 80 3.092 1.898 5.411 1.00 0.00 C ATOM 1232 O LEU A 80 2.726 3.013 5.821 1.00 0.00 O ATOM 1233 CB LEU A 80 1.639 -0.123 5.321 1.00 0.00 C ATOM 1234 CG LEU A 80 1.159 -1.321 4.511 1.00 0.00 C ATOM 1235 CD1 LEU A 80 0.635 -2.397 5.408 1.00 0.00 C ATOM 1236 CD2 LEU A 80 0.119 -0.912 3.491 1.00 0.00 C ATOM 0 H LEU A 80 2.872 -0.360 3.131 1.00 0.00 H new ATOM 0 HA LEU A 80 1.332 1.678 4.192 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.423 -0.461 5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.811 0.225 5.939 1.00 0.00 H new ATOM 0 HG LEU A 80 2.016 -1.721 3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.299 -3.241 4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.426 -2.725 6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.202 -2.010 5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.204 -1.788 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.738 -0.472 4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.548 -0.180 2.807 1.00 0.00 H new ATOM 1248 N ASP A 81 4.292 1.353 5.687 1.00 0.00 N ATOM 1249 CA ASP A 81 5.298 2.040 6.513 1.00 0.00 C ATOM 1250 C ASP A 81 5.564 3.410 5.968 1.00 0.00 C ATOM 1251 O ASP A 81 5.383 4.402 6.665 1.00 0.00 O ATOM 1252 CB ASP A 81 6.624 1.281 6.540 1.00 0.00 C ATOM 1253 CG ASP A 81 7.624 1.935 7.450 1.00 0.00 C ATOM 1254 OD1 ASP A 81 8.280 2.876 7.018 1.00 0.00 O ATOM 1255 OD2 ASP A 81 7.754 1.506 8.607 1.00 0.00 O ATOM 0 H ASP A 81 4.587 0.437 5.348 1.00 0.00 H new ATOM 0 HA ASP A 81 4.895 2.095 7.524 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.449 0.256 6.869 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.032 1.227 5.531 1.00 0.00 H new ATOM 1260 N ASP A 82 6.040 3.457 4.725 1.00 0.00 N ATOM 1261 CA ASP A 82 6.368 4.740 4.071 1.00 0.00 C ATOM 1262 C ASP A 82 5.202 5.708 4.212 1.00 0.00 C ATOM 1263 O ASP A 82 5.378 6.830 4.696 1.00 0.00 O ATOM 1264 CB ASP A 82 6.719 4.562 2.578 1.00 0.00 C ATOM 1265 CG ASP A 82 8.186 4.327 2.300 1.00 0.00 C ATOM 1266 OD1 ASP A 82 9.043 4.618 3.165 1.00 0.00 O ATOM 1267 OD2 ASP A 82 8.488 3.840 1.218 1.00 0.00 O ATOM 0 H ASP A 82 6.209 2.633 4.148 1.00 0.00 H new ATOM 0 HA ASP A 82 7.249 5.143 4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.149 3.722 2.182 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.397 5.450 2.034 1.00 0.00 H new ATOM 1272 N THR A 83 3.993 5.242 3.847 1.00 0.00 N ATOM 1273 CA THR A 83 2.772 6.053 3.997 1.00 0.00 C ATOM 1274 C THR A 83 2.638 6.546 5.447 1.00 0.00 C ATOM 1275 O THR A 83 2.498 7.757 5.695 1.00 0.00 O ATOM 1276 CB THR A 83 1.493 5.263 3.591 1.00 0.00 C ATOM 1277 OG1 THR A 83 1.731 4.372 2.502 1.00 0.00 O ATOM 1278 CG2 THR A 83 0.341 6.155 3.182 1.00 0.00 C ATOM 0 H THR A 83 3.837 4.316 3.449 1.00 0.00 H new ATOM 0 HA THR A 83 2.864 6.906 3.325 1.00 0.00 H new ATOM 0 HB THR A 83 1.228 4.711 4.493 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.106 3.533 2.842 1.00 0.00 H new ATOM 0 HG21 THR A 83 -0.517 5.540 2.912 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.073 6.807 4.013 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.637 6.761 2.326 1.00 0.00 H new ATOM 1286 N TYR A 84 2.710 5.608 6.403 1.00 0.00 N ATOM 1287 CA TYR A 84 2.626 5.936 7.814 1.00 0.00 C ATOM 1288 C TYR A 84 3.718 6.935 8.198 1.00 0.00 C ATOM 1289 O TYR A 84 3.426 7.986 8.769 1.00 0.00 O ATOM 1290 CB TYR A 84 2.728 4.668 8.675 1.00 0.00 C ATOM 1291 CG TYR A 84 2.634 4.944 10.145 1.00 0.00 C ATOM 1292 CD1 TYR A 84 1.414 4.959 10.784 1.00 0.00 C ATOM 1293 CD2 TYR A 84 3.769 5.207 10.882 1.00 0.00 C ATOM 1294 CE1 TYR A 84 1.322 5.229 12.128 1.00 0.00 C ATOM 1295 CE2 TYR A 84 3.699 5.476 12.224 1.00 0.00 C ATOM 1296 CZ TYR A 84 2.473 5.490 12.849 1.00 0.00 C ATOM 1297 OH TYR A 84 2.402 5.764 14.204 1.00 0.00 O ATOM 0 H TYR A 84 2.827 4.613 6.212 1.00 0.00 H new ATOM 0 HA TYR A 84 1.656 6.397 8.000 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.934 3.978 8.390 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.674 4.169 8.465 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.516 4.755 10.220 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.732 5.201 10.392 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.359 5.237 12.617 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.599 5.675 12.787 1.00 0.00 H new ATOM 0 HH TYR A 84 3.304 5.923 14.553 1.00 0.00 H new ATOM 1307 N THR A 85 4.964 6.612 7.869 1.00 0.00 N ATOM 1308 CA THR A 85 6.096 7.488 8.156 1.00 0.00 C ATOM 1309 C THR A 85 5.862 8.888 7.546 1.00 0.00 C ATOM 1310 O THR A 85 6.051 9.908 8.224 1.00 0.00 O ATOM 1311 CB THR A 85 7.405 6.859 7.631 1.00 0.00 C ATOM 1312 OG1 THR A 85 7.486 5.490 8.018 1.00 0.00 O ATOM 1313 CG2 THR A 85 8.658 7.544 8.143 1.00 0.00 C ATOM 0 H THR A 85 5.218 5.743 7.399 1.00 0.00 H new ATOM 0 HA THR A 85 6.188 7.605 9.236 1.00 0.00 H new ATOM 0 HB THR A 85 7.365 6.975 6.548 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.860 4.961 7.481 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.537 7.048 7.732 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.653 8.589 7.834 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.685 7.488 9.231 1.00 0.00 H new ATOM 1321 N LEU A 86 5.405 8.922 6.283 1.00 0.00 N ATOM 1322 CA LEU A 86 5.095 10.179 5.584 1.00 0.00 C ATOM 1323 C LEU A 86 4.161 11.032 6.409 1.00 0.00 C ATOM 1324 O LEU A 86 4.548 12.088 6.896 1.00 0.00 O ATOM 1325 CB LEU A 86 4.405 9.891 4.248 1.00 0.00 C ATOM 1326 CG LEU A 86 5.169 10.237 2.958 1.00 0.00 C ATOM 1327 CD1 LEU A 86 6.077 11.446 3.136 1.00 0.00 C ATOM 1328 CD2 LEU A 86 5.946 9.049 2.462 1.00 0.00 C ATOM 0 H LEU A 86 5.241 8.086 5.722 1.00 0.00 H new ATOM 0 HA LEU A 86 6.037 10.703 5.421 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.161 8.829 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.461 10.435 4.234 1.00 0.00 H new ATOM 0 HG LEU A 86 4.427 10.503 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.596 11.653 2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.478 12.312 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.808 11.240 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.478 9.317 1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.663 8.740 3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.261 8.227 2.254 1.00 0.00 H new ATOM 1340 N PHE A 87 2.922 10.550 6.560 1.00 0.00 N ATOM 1341 CA PHE A 87 1.884 11.268 7.302 1.00 0.00 C ATOM 1342 C PHE A 87 2.233 11.448 8.771 1.00 0.00 C ATOM 1343 O PHE A 87 1.710 12.349 9.422 1.00 0.00 O ATOM 1344 CB PHE A 87 0.522 10.606 7.110 1.00 0.00 C ATOM 1345 CG PHE A 87 0.056 10.664 5.673 1.00 0.00 C ATOM 1346 CD1 PHE A 87 -0.187 11.884 5.056 1.00 0.00 C ATOM 1347 CD2 PHE A 87 -0.103 9.506 4.930 1.00 0.00 C ATOM 1348 CE1 PHE A 87 -0.581 11.945 3.735 1.00 0.00 C ATOM 1349 CE2 PHE A 87 -0.501 9.562 3.607 1.00 0.00 C ATOM 1350 CZ PHE A 87 -0.738 10.785 3.010 1.00 0.00 C ATOM 0 H PHE A 87 2.614 9.658 6.174 1.00 0.00 H new ATOM 0 HA PHE A 87 1.826 12.274 6.886 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.577 9.566 7.430 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.212 11.098 7.748 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.066 12.798 5.618 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.086 8.547 5.390 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.766 12.902 3.270 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -0.626 8.651 3.041 1.00 0.00 H new ATOM 0 HZ PHE A 87 -1.046 10.831 1.976 1.00 0.00 H new ATOM 1360 N SER A 88 3.181 10.657 9.270 1.00 0.00 N ATOM 1361 CA SER A 88 3.661 10.827 10.625 1.00 0.00 C ATOM 1362 C SER A 88 4.526 12.105 10.722 1.00 0.00 C ATOM 1363 O SER A 88 4.607 12.730 11.791 1.00 0.00 O ATOM 1364 CB SER A 88 4.463 9.616 11.040 1.00 0.00 C ATOM 1365 OG SER A 88 3.614 8.505 11.327 1.00 0.00 O ATOM 0 H SER A 88 3.625 9.898 8.753 1.00 0.00 H new ATOM 0 HA SER A 88 2.809 10.931 11.297 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.159 9.349 10.245 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.060 9.857 11.919 1.00 0.00 H new ATOM 0 HG SER A 88 3.494 7.967 10.517 1.00 0.00 H new ATOM 1371 N SER A 89 5.088 12.539 9.581 1.00 0.00 N ATOM 1372 CA SER A 89 5.821 13.783 9.510 1.00 0.00 C ATOM 1373 C SER A 89 4.825 14.895 9.206 1.00 0.00 C ATOM 1374 O SER A 89 4.233 14.910 8.120 1.00 0.00 O ATOM 1375 CB SER A 89 6.902 13.721 8.402 1.00 0.00 C ATOM 1376 OG SER A 89 7.472 12.401 8.284 1.00 0.00 O ATOM 0 H SER A 89 5.039 12.032 8.697 1.00 0.00 H new ATOM 0 HA SER A 89 6.328 13.970 10.457 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.463 14.014 7.448 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.691 14.439 8.623 1.00 0.00 H new ATOM 0 HG SER A 89 6.805 11.789 7.908 1.00 0.00 H new ATOM 1382 N TYR A 90 4.590 15.787 10.183 1.00 0.00 N ATOM 1383 CA TYR A 90 3.616 16.875 10.033 1.00 0.00 C ATOM 1384 C TYR A 90 3.721 17.544 8.666 1.00 0.00 C ATOM 1385 O TYR A 90 2.708 17.802 8.028 1.00 0.00 O ATOM 1386 CB TYR A 90 3.756 17.898 11.160 1.00 0.00 C ATOM 1387 CG TYR A 90 2.966 17.524 12.391 1.00 0.00 C ATOM 1388 CD1 TYR A 90 1.637 17.904 12.532 1.00 0.00 C ATOM 1389 CD2 TYR A 90 3.540 16.769 13.402 1.00 0.00 C ATOM 1390 CE1 TYR A 90 0.907 17.542 13.640 1.00 0.00 C ATOM 1391 CE2 TYR A 90 2.817 16.404 14.516 1.00 0.00 C ATOM 1392 CZ TYR A 90 1.501 16.790 14.631 1.00 0.00 C ATOM 1393 OH TYR A 90 0.771 16.423 15.749 1.00 0.00 O ATOM 0 H TYR A 90 5.064 15.773 11.086 1.00 0.00 H new ATOM 0 HA TYR A 90 2.622 16.433 10.101 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.808 17.997 11.426 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.424 18.873 10.803 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.169 18.494 11.758 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.572 16.462 13.315 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.125 17.845 13.733 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.281 15.818 15.296 1.00 0.00 H new ATOM 0 HH TYR A 90 1.337 15.895 16.350 1.00 0.00 H new ATOM 1403 N GLY A 91 4.940 17.741 8.188 1.00 0.00 N ATOM 1404 CA GLY A 91 5.133 18.270 6.859 1.00 0.00 C ATOM 1405 C GLY A 91 5.701 17.212 5.951 1.00 0.00 C ATOM 1406 O GLY A 91 6.710 16.573 6.287 1.00 0.00 O ATOM 0 H GLY A 91 5.800 17.543 8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.183 18.628 6.462 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.806 19.127 6.896 1.00 0.00 H new ATOM 1410 N ILE A 92 5.064 17.006 4.809 1.00 0.00 N ATOM 1411 CA ILE A 92 5.515 16.003 3.857 1.00 0.00 C ATOM 1412 C ILE A 92 6.862 16.407 3.275 1.00 0.00 C ATOM 1413 O ILE A 92 7.048 17.566 2.850 1.00 0.00 O ATOM 1414 CB ILE A 92 4.476 15.760 2.725 1.00 0.00 C ATOM 1415 CG1 ILE A 92 3.124 15.389 3.330 1.00 0.00 C ATOM 1416 CG2 ILE A 92 4.936 14.646 1.788 1.00 0.00 C ATOM 1417 CD1 ILE A 92 3.170 14.180 4.253 1.00 0.00 C ATOM 0 H ILE A 92 4.232 17.520 4.519 1.00 0.00 H new ATOM 0 HA ILE A 92 5.625 15.061 4.394 1.00 0.00 H new ATOM 0 HB ILE A 92 4.381 16.681 2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.740 16.244 3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.419 15.191 2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.191 14.497 1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.888 14.922 1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.058 13.722 2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.171 13.981 4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.523 13.311 3.697 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.849 14.381 5.082 1.00 0.00 H new ATOM 1429 N ASN A 93 7.814 15.483 3.298 1.00 0.00 N ATOM 1430 CA ASN A 93 9.170 15.765 2.821 1.00 0.00 C ATOM 1431 C ASN A 93 9.709 14.675 1.907 1.00 0.00 C ATOM 1432 O ASN A 93 9.300 13.501 2.007 1.00 0.00 O ATOM 1433 CB ASN A 93 10.144 15.997 3.995 1.00 0.00 C ATOM 1434 CG ASN A 93 10.042 14.972 5.124 1.00 0.00 C ATOM 1435 OD1 ASN A 93 10.053 15.338 6.285 1.00 0.00 O ATOM 1436 ND2 ASN A 93 9.937 13.694 4.799 1.00 0.00 N ATOM 0 H ASN A 93 7.677 14.532 3.640 1.00 0.00 H new ATOM 0 HA ASN A 93 9.098 16.681 2.235 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.164 15.992 3.609 1.00 0.00 H new ATOM 0 HB3 ASN A 93 9.964 16.990 4.407 1.00 0.00 H new ATOM 0 HD21 ASN A 93 9.863 12.986 5.530 1.00 0.00 H new ATOM 0 HD22 ASN A 93 9.930 13.416 3.818 1.00 0.00 H new ATOM 1443 N ASP A 94 10.666 15.068 1.064 1.00 0.00 N ATOM 1444 CA ASP A 94 11.348 14.183 0.097 1.00 0.00 C ATOM 1445 C ASP A 94 11.744 12.806 0.661 1.00 0.00 C ATOM 1446 O ASP A 94 11.398 11.799 0.066 1.00 0.00 O ATOM 1447 CB ASP A 94 12.589 14.880 -0.496 1.00 0.00 C ATOM 1448 CG ASP A 94 13.003 14.307 -1.812 1.00 0.00 C ATOM 1449 OD1 ASP A 94 12.379 14.640 -2.828 1.00 0.00 O ATOM 1450 OD2 ASP A 94 13.960 13.539 -1.844 1.00 0.00 O ATOM 0 H ASP A 94 11.001 16.031 1.028 1.00 0.00 H new ATOM 0 HA ASP A 94 10.612 13.991 -0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 94 12.379 15.943 -0.618 1.00 0.00 H new ATOM 0 HB3 ASP A 94 13.417 14.797 0.208 1.00 0.00 H new ATOM 1455 N PRO A 95 12.534 12.741 1.788 1.00 0.00 N ATOM 1456 CA PRO A 95 13.041 11.469 2.345 1.00 0.00 C ATOM 1457 C PRO A 95 11.998 10.354 2.349 1.00 0.00 C ATOM 1458 O PRO A 95 12.190 9.302 1.717 1.00 0.00 O ATOM 1459 CB PRO A 95 13.464 11.838 3.790 1.00 0.00 C ATOM 1460 CG PRO A 95 13.151 13.300 3.950 1.00 0.00 C ATOM 1461 CD PRO A 95 13.049 13.873 2.561 1.00 0.00 C ATOM 0 HA PRO A 95 13.856 11.070 1.741 1.00 0.00 H new ATOM 0 HB2 PRO A 95 12.920 11.240 4.521 1.00 0.00 H new ATOM 0 HB3 PRO A 95 14.525 11.646 3.947 1.00 0.00 H new ATOM 0 HG2 PRO A 95 12.218 13.439 4.496 1.00 0.00 H new ATOM 0 HG3 PRO A 95 13.932 13.803 4.520 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.376 14.729 2.524 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.016 14.211 2.190 1.00 0.00 H new ATOM 1469 N GLU A 96 10.917 10.578 3.063 1.00 0.00 N ATOM 1470 CA GLU A 96 9.852 9.606 3.161 1.00 0.00 C ATOM 1471 C GLU A 96 9.097 9.498 1.837 1.00 0.00 C ATOM 1472 O GLU A 96 8.844 8.394 1.343 1.00 0.00 O ATOM 1473 CB GLU A 96 8.889 9.995 4.286 1.00 0.00 C ATOM 1474 CG GLU A 96 9.335 9.588 5.683 1.00 0.00 C ATOM 1475 CD GLU A 96 10.653 10.170 6.070 1.00 0.00 C ATOM 1476 OE1 GLU A 96 10.781 11.390 6.066 1.00 0.00 O ATOM 1477 OE2 GLU A 96 11.564 9.406 6.383 1.00 0.00 O ATOM 0 H GLU A 96 10.752 11.436 3.590 1.00 0.00 H new ATOM 0 HA GLU A 96 10.290 8.634 3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.748 11.076 4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 96 7.918 9.543 4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 96 8.580 9.901 6.404 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.395 8.501 5.736 1.00 0.00 H new ATOM 1484 N LEU A 97 8.693 10.651 1.289 1.00 0.00 N ATOM 1485 CA LEU A 97 7.909 10.675 0.058 1.00 0.00 C ATOM 1486 C LEU A 97 8.589 9.956 -1.077 1.00 0.00 C ATOM 1487 O LEU A 97 7.953 9.145 -1.755 1.00 0.00 O ATOM 1488 CB LEU A 97 7.554 12.091 -0.367 1.00 0.00 C ATOM 1489 CG LEU A 97 6.639 12.177 -1.586 1.00 0.00 C ATOM 1490 CD1 LEU A 97 5.279 11.566 -1.310 1.00 0.00 C ATOM 1491 CD2 LEU A 97 6.491 13.594 -2.017 1.00 0.00 C ATOM 0 H LEU A 97 8.897 11.571 1.679 1.00 0.00 H new ATOM 0 HA LEU A 97 6.987 10.141 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.072 12.597 0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.475 12.634 -0.581 1.00 0.00 H new ATOM 0 HG LEU A 97 7.101 11.604 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.656 11.646 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.399 10.516 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.802 12.096 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.836 13.643 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.059 14.178 -1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.469 14.000 -2.275 1.00 0.00 H new ATOM 1503 N GLN A 98 9.861 10.265 -1.318 1.00 0.00 N ATOM 1504 CA GLN A 98 10.578 9.650 -2.409 1.00 0.00 C ATOM 1505 C GLN A 98 10.575 8.148 -2.287 1.00 0.00 C ATOM 1506 O GLN A 98 10.245 7.452 -3.254 1.00 0.00 O ATOM 1507 CB GLN A 98 11.978 10.212 -2.547 1.00 0.00 C ATOM 1508 CG GLN A 98 11.976 11.543 -3.249 1.00 0.00 C ATOM 1509 CD GLN A 98 11.440 11.438 -4.633 1.00 0.00 C ATOM 1510 OE1 GLN A 98 11.914 10.620 -5.427 1.00 0.00 O ATOM 1511 NE2 GLN A 98 10.465 12.219 -4.943 1.00 0.00 N ATOM 0 H GLN A 98 10.405 10.933 -0.772 1.00 0.00 H new ATOM 0 HA GLN A 98 10.052 9.897 -3.331 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.425 10.322 -1.559 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.600 9.509 -3.101 1.00 0.00 H new ATOM 0 HG2 GLN A 98 11.376 12.253 -2.680 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.991 11.938 -3.282 1.00 0.00 H new ATOM 0 HE21 GLN A 98 10.103 12.881 -4.256 1.00 0.00 H new ATOM 0 HE22 GLN A 98 10.054 12.176 -5.876 1.00 0.00 H new ATOM 1520 N ARG A 99 10.824 7.648 -1.073 1.00 0.00 N ATOM 1521 CA ARG A 99 10.720 6.236 -0.806 1.00 0.00 C ATOM 1522 C ARG A 99 9.348 5.738 -1.217 1.00 0.00 C ATOM 1523 O ARG A 99 9.237 4.850 -2.061 1.00 0.00 O ATOM 1524 CB ARG A 99 10.927 5.980 0.659 1.00 0.00 C ATOM 1525 CG ARG A 99 12.347 5.700 1.002 1.00 0.00 C ATOM 1526 CD ARG A 99 12.413 4.983 2.307 1.00 0.00 C ATOM 1527 NE ARG A 99 12.878 5.859 3.374 1.00 0.00 N ATOM 1528 CZ ARG A 99 12.090 6.530 4.237 1.00 0.00 C ATOM 1529 NH1 ARG A 99 10.761 6.323 4.265 1.00 0.00 N ATOM 1530 NH2 ARG A 99 12.648 7.388 5.083 1.00 0.00 N ATOM 0 H ARG A 99 11.098 8.212 -0.268 1.00 0.00 H new ATOM 0 HA ARG A 99 11.483 5.707 -1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.585 6.846 1.226 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.311 5.135 0.966 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.809 5.097 0.220 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.909 6.632 1.059 1.00 0.00 H new ATOM 0 HD2 ARG A 99 11.427 4.592 2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.082 4.127 2.220 1.00 0.00 H new ATOM 0 HE ARG A 99 13.886 5.974 3.477 1.00 0.00 H new ATOM 0 HH11 ARG A 99 10.336 5.650 3.627 1.00 0.00 H new ATOM 0 HH12 ARG A 99 10.178 6.839 4.924 1.00 0.00 H new ATOM 0 HH21 ARG A 99 13.658 7.531 5.073 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.067 7.904 5.743 1.00 0.00 H new ATOM 1544 N TRP A 100 8.306 6.396 -0.684 1.00 0.00 N ATOM 1545 CA TRP A 100 6.919 6.088 -1.037 1.00 0.00 C ATOM 1546 C TRP A 100 6.776 6.030 -2.547 1.00 0.00 C ATOM 1547 O TRP A 100 6.316 5.021 -3.095 1.00 0.00 O ATOM 1548 CB TRP A 100 5.962 7.147 -0.463 1.00 0.00 C ATOM 1549 CG TRP A 100 4.565 6.655 -0.238 1.00 0.00 C ATOM 1550 CD1 TRP A 100 4.155 5.769 0.704 1.00 0.00 C ATOM 1551 CD2 TRP A 100 3.390 7.023 -0.971 1.00 0.00 C ATOM 1552 NE1 TRP A 100 2.810 5.573 0.611 1.00 0.00 N ATOM 1553 CE2 TRP A 100 2.313 6.323 -0.400 1.00 0.00 C ATOM 1554 CE3 TRP A 100 3.144 7.875 -2.043 1.00 0.00 C ATOM 1555 CZ2 TRP A 100 1.010 6.447 -0.868 1.00 0.00 C ATOM 1556 CZ3 TRP A 100 1.848 7.996 -2.508 1.00 0.00 C ATOM 1557 CH2 TRP A 100 0.798 7.286 -1.918 1.00 0.00 C ATOM 0 H TRP A 100 8.404 7.149 -0.003 1.00 0.00 H new ATOM 0 HA TRP A 100 6.659 5.120 -0.609 1.00 0.00 H new ATOM 0 HB2 TRP A 100 6.364 7.509 0.483 1.00 0.00 H new ATOM 0 HB3 TRP A 100 5.930 7.998 -1.143 1.00 0.00 H new ATOM 0 HD1 TRP A 100 4.801 5.289 1.424 1.00 0.00 H new ATOM 0 HE1 TRP A 100 2.262 4.956 1.211 1.00 0.00 H new ATOM 0 HE3 TRP A 100 3.949 8.430 -2.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 0.197 5.898 -0.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 1.643 8.651 -3.342 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.203 7.406 -2.304 1.00 0.00 H new ATOM 1568 N GLN A 101 7.237 7.105 -3.219 1.00 0.00 N ATOM 1569 CA GLN A 101 7.227 7.204 -4.682 1.00 0.00 C ATOM 1570 C GLN A 101 7.747 5.919 -5.318 1.00 0.00 C ATOM 1571 O GLN A 101 7.080 5.345 -6.192 1.00 0.00 O ATOM 1572 CB GLN A 101 8.071 8.401 -5.169 1.00 0.00 C ATOM 1573 CG GLN A 101 7.701 9.742 -4.553 1.00 0.00 C ATOM 1574 CD GLN A 101 7.284 10.760 -5.582 1.00 0.00 C ATOM 1575 OE1 GLN A 101 7.729 10.722 -6.745 1.00 0.00 O ATOM 1576 NE2 GLN A 101 6.455 11.665 -5.187 1.00 0.00 N ATOM 0 H GLN A 101 7.626 7.927 -2.756 1.00 0.00 H new ATOM 0 HA GLN A 101 6.193 7.360 -4.989 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.120 8.197 -4.955 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.975 8.477 -6.252 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.889 9.598 -3.841 1.00 0.00 H new ATOM 0 HG3 GLN A 101 8.553 10.127 -3.992 1.00 0.00 H new ATOM 0 HE21 GLN A 101 6.115 11.660 -4.225 1.00 0.00 H new ATOM 0 HE22 GLN A 101 6.139 12.386 -5.836 1.00 0.00 H new ATOM 1585 N LYS A 102 8.916 5.469 -4.872 1.00 0.00 N ATOM 1586 CA LYS A 102 9.529 4.240 -5.387 1.00 0.00 C ATOM 1587 C LYS A 102 8.742 3.002 -4.941 1.00 0.00 C ATOM 1588 O LYS A 102 8.395 2.148 -5.763 1.00 0.00 O ATOM 1589 CB LYS A 102 10.994 4.122 -4.917 1.00 0.00 C ATOM 1590 CG LYS A 102 11.810 5.402 -5.061 1.00 0.00 C ATOM 1591 CD LYS A 102 12.657 5.671 -3.838 1.00 0.00 C ATOM 1592 CE LYS A 102 14.123 5.826 -4.207 1.00 0.00 C ATOM 1593 NZ LYS A 102 15.039 5.363 -3.137 1.00 0.00 N ATOM 0 H LYS A 102 9.464 5.938 -4.150 1.00 0.00 H new ATOM 0 HA LYS A 102 9.508 4.293 -6.476 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.003 3.816 -3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.482 3.330 -5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.453 5.326 -5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.138 6.244 -5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 102 12.307 6.576 -3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 102 12.543 4.853 -3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 102 14.324 5.264 -5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.329 6.874 -4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 16.024 5.492 -3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.870 5.915 -2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 14.866 4.356 -2.944 1.00 0.00 H new ATOM 1607 N THR A 103 8.481 2.909 -3.640 1.00 0.00 N ATOM 1608 CA THR A 103 7.767 1.777 -3.045 1.00 0.00 C ATOM 1609 C THR A 103 6.490 1.437 -3.812 1.00 0.00 C ATOM 1610 O THR A 103 6.284 0.264 -4.167 1.00 0.00 O ATOM 1611 CB THR A 103 7.503 2.026 -1.551 1.00 0.00 C ATOM 1612 OG1 THR A 103 8.687 2.494 -0.936 1.00 0.00 O ATOM 1613 CG2 THR A 103 7.067 0.792 -0.783 1.00 0.00 C ATOM 0 H THR A 103 8.759 3.619 -2.963 1.00 0.00 H new ATOM 0 HA THR A 103 8.408 0.899 -3.123 1.00 0.00 H new ATOM 0 HB THR A 103 6.690 2.751 -1.516 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.511 2.688 0.008 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.902 1.053 0.262 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.142 0.405 -1.211 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.844 0.030 -0.848 1.00 0.00 H new ATOM 1621 N LYS A 104 5.656 2.454 -4.124 1.00 0.00 N ATOM 1622 CA LYS A 104 4.442 2.190 -4.924 1.00 0.00 C ATOM 1623 C LYS A 104 4.832 1.553 -6.238 1.00 0.00 C ATOM 1624 O LYS A 104 4.386 0.446 -6.553 1.00 0.00 O ATOM 1625 CB LYS A 104 3.567 3.449 -5.216 1.00 0.00 C ATOM 1626 CG LYS A 104 4.205 4.809 -4.933 1.00 0.00 C ATOM 1627 CD LYS A 104 3.328 5.965 -5.422 1.00 0.00 C ATOM 1628 CE LYS A 104 4.011 6.840 -6.495 1.00 0.00 C ATOM 1629 NZ LYS A 104 4.949 6.091 -7.381 1.00 0.00 N ATOM 0 H LYS A 104 5.792 3.426 -3.847 1.00 0.00 H new ATOM 0 HA LYS A 104 3.829 1.524 -4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 104 3.273 3.423 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 104 2.653 3.373 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.378 4.913 -3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.179 4.861 -5.420 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.401 5.561 -5.829 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.057 6.591 -4.572 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.243 7.309 -7.110 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.558 7.643 -6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.303 6.724 -8.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.749 5.737 -6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.450 5.289 -7.816 1.00 0.00 H new ATOM 1643 N GLU A 105 5.713 2.241 -6.980 1.00 0.00 N ATOM 1644 CA GLU A 105 6.193 1.750 -8.272 1.00 0.00 C ATOM 1645 C GLU A 105 6.574 0.282 -8.190 1.00 0.00 C ATOM 1646 O GLU A 105 5.958 -0.557 -8.856 1.00 0.00 O ATOM 1647 CB GLU A 105 7.382 2.587 -8.771 1.00 0.00 C ATOM 1648 CG GLU A 105 7.050 4.038 -9.098 1.00 0.00 C ATOM 1649 CD GLU A 105 5.786 4.178 -9.865 1.00 0.00 C ATOM 1650 OE1 GLU A 105 4.720 4.255 -9.248 1.00 0.00 O ATOM 1651 OE2 GLU A 105 5.848 4.197 -11.081 1.00 0.00 O ATOM 0 H GLU A 105 6.106 3.141 -6.703 1.00 0.00 H new ATOM 0 HA GLU A 105 5.378 1.851 -8.989 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.164 2.570 -8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.793 2.113 -9.663 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.973 4.606 -8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.868 4.473 -9.672 1.00 0.00 H new ATOM 1658 N ARG A 106 7.534 -0.024 -7.315 1.00 0.00 N ATOM 1659 CA ARG A 106 7.977 -1.405 -7.080 1.00 0.00 C ATOM 1660 C ARG A 106 6.780 -2.309 -6.801 1.00 0.00 C ATOM 1661 O ARG A 106 6.595 -3.328 -7.460 1.00 0.00 O ATOM 1662 CB ARG A 106 8.930 -1.477 -5.874 1.00 0.00 C ATOM 1663 CG ARG A 106 10.057 -0.488 -5.884 1.00 0.00 C ATOM 1664 CD ARG A 106 10.703 -0.448 -4.525 1.00 0.00 C ATOM 1665 NE ARG A 106 11.486 -1.658 -4.234 1.00 0.00 N ATOM 1666 CZ ARG A 106 11.525 -2.292 -3.041 1.00 0.00 C ATOM 1667 NH1 ARG A 106 10.776 -1.865 -2.030 1.00 0.00 N ATOM 1668 NH2 ARG A 106 12.329 -3.339 -2.875 1.00 0.00 N ATOM 0 H ARG A 106 8.025 0.671 -6.752 1.00 0.00 H new ATOM 0 HA ARG A 106 8.497 -1.740 -7.978 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.348 -1.330 -4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.351 -2.481 -5.825 1.00 0.00 H new ATOM 0 HG2 ARG A 106 10.792 -0.766 -6.640 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.684 0.501 -6.150 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.353 0.425 -4.462 1.00 0.00 H new ATOM 0 HD3 ARG A 106 9.932 -0.327 -3.764 1.00 0.00 H new ATOM 0 HE ARG A 106 12.044 -2.050 -4.993 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.168 -1.055 -2.152 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.809 -2.347 -1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.913 -3.661 -3.647 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.361 -3.820 -1.976 1.00 0.00 H new ATOM 1682 N LEU A 107 5.963 -1.906 -5.828 1.00 0.00 N ATOM 1683 CA LEU A 107 4.777 -2.663 -5.416 1.00 0.00 C ATOM 1684 C LEU A 107 3.877 -2.986 -6.598 1.00 0.00 C ATOM 1685 O LEU A 107 3.407 -4.127 -6.759 1.00 0.00 O ATOM 1686 CB LEU A 107 3.985 -1.848 -4.375 1.00 0.00 C ATOM 1687 CG LEU A 107 2.790 -2.547 -3.731 1.00 0.00 C ATOM 1688 CD1 LEU A 107 3.258 -3.647 -2.812 1.00 0.00 C ATOM 1689 CD2 LEU A 107 1.927 -1.552 -2.973 1.00 0.00 C ATOM 0 H LEU A 107 6.104 -1.044 -5.301 1.00 0.00 H new ATOM 0 HA LEU A 107 5.113 -3.605 -4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.671 -1.546 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.630 -0.936 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 107 2.185 -2.989 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.395 -4.136 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.832 -4.378 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.886 -3.224 -2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.082 -2.072 -2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.520 -1.078 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.559 -0.791 -3.661 1.00 0.00 H new ATOM 1701 N PHE A 108 3.659 -1.998 -7.437 1.00 0.00 N ATOM 1702 CA PHE A 108 2.794 -2.140 -8.584 1.00 0.00 C ATOM 1703 C PHE A 108 3.400 -3.030 -9.631 1.00 0.00 C ATOM 1704 O PHE A 108 2.660 -3.680 -10.377 1.00 0.00 O ATOM 1705 CB PHE A 108 2.347 -0.779 -9.134 1.00 0.00 C ATOM 1706 CG PHE A 108 1.223 -0.181 -8.326 1.00 0.00 C ATOM 1707 CD1 PHE A 108 1.362 -0.005 -6.954 1.00 0.00 C ATOM 1708 CD2 PHE A 108 0.028 0.179 -8.922 1.00 0.00 C ATOM 1709 CE1 PHE A 108 0.344 0.512 -6.204 1.00 0.00 C ATOM 1710 CE2 PHE A 108 -0.999 0.706 -8.165 1.00 0.00 C ATOM 1711 CZ PHE A 108 -0.835 0.868 -6.804 1.00 0.00 C ATOM 0 H PHE A 108 4.078 -1.073 -7.342 1.00 0.00 H new ATOM 0 HA PHE A 108 1.885 -2.642 -8.251 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.195 -0.094 -9.137 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.027 -0.895 -10.169 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.289 -0.281 -6.474 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -0.102 0.047 -9.986 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.469 0.640 -5.139 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.928 0.991 -8.636 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.639 1.277 -6.210 1.00 0.00 H new ATOM 1721 N ARG A 109 4.729 -3.191 -9.602 1.00 0.00 N ATOM 1722 CA ARG A 109 5.379 -4.158 -10.456 1.00 0.00 C ATOM 1723 C ARG A 109 4.984 -5.529 -10.000 1.00 0.00 C ATOM 1724 O ARG A 109 4.412 -6.281 -10.778 1.00 0.00 O ATOM 1725 CB ARG A 109 6.912 -4.007 -10.461 1.00 0.00 C ATOM 1726 CG ARG A 109 7.402 -2.575 -10.674 1.00 0.00 C ATOM 1727 CD ARG A 109 7.355 -2.161 -12.155 1.00 0.00 C ATOM 1728 NE ARG A 109 6.086 -2.525 -12.810 1.00 0.00 N ATOM 1729 CZ ARG A 109 5.963 -3.071 -14.032 1.00 0.00 C ATOM 1730 NH1 ARG A 109 7.014 -3.111 -14.863 1.00 0.00 N ATOM 1731 NH2 ARG A 109 4.777 -3.524 -14.428 1.00 0.00 N ATOM 0 H ARG A 109 5.359 -2.663 -8.998 1.00 0.00 H new ATOM 0 HA ARG A 109 5.055 -3.988 -11.483 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.305 -4.376 -9.514 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.325 -4.641 -11.246 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.788 -1.891 -10.087 1.00 0.00 H new ATOM 0 HG3 ARG A 109 8.423 -2.483 -10.305 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.502 -1.084 -12.231 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.181 -2.634 -12.686 1.00 0.00 H new ATOM 0 HE ARG A 109 5.226 -2.347 -12.291 1.00 0.00 H new ATOM 0 HH11 ARG A 109 7.912 -2.726 -14.569 1.00 0.00 H new ATOM 0 HH12 ARG A 109 6.916 -3.526 -15.789 1.00 0.00 H new ATOM 0 HH21 ARG A 109 3.971 -3.455 -13.806 1.00 0.00 H new ATOM 0 HH22 ARG A 109 4.673 -3.940 -15.353 1.00 0.00 H new ATOM 1745 N LEU A 110 5.115 -5.796 -8.683 1.00 0.00 N ATOM 1746 CA LEU A 110 4.690 -7.032 -8.116 1.00 0.00 C ATOM 1747 C LEU A 110 3.236 -7.321 -8.460 1.00 0.00 C ATOM 1748 O LEU A 110 2.895 -8.439 -8.870 1.00 0.00 O ATOM 1749 CB LEU A 110 4.897 -6.984 -6.627 1.00 0.00 C ATOM 1750 CG LEU A 110 6.343 -7.065 -6.186 1.00 0.00 C ATOM 1751 CD1 LEU A 110 6.961 -5.726 -6.115 1.00 0.00 C ATOM 1752 CD2 LEU A 110 6.521 -7.831 -4.901 1.00 0.00 C ATOM 0 H LEU A 110 5.520 -5.145 -8.011 1.00 0.00 H new ATOM 0 HA LEU A 110 5.284 -7.844 -8.535 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.466 -6.059 -6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.346 -7.806 -6.171 1.00 0.00 H new ATOM 0 HG LEU A 110 6.869 -7.633 -6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.999 -5.821 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.926 -5.256 -7.098 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.416 -5.111 -5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.578 -7.855 -4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.958 -7.343 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.156 -8.850 -5.031 1.00 0.00 H new ATOM 1764 N PHE A 111 2.386 -6.299 -8.325 1.00 0.00 N ATOM 1765 CA PHE A 111 0.963 -6.421 -8.658 1.00 0.00 C ATOM 1766 C PHE A 111 0.692 -6.419 -10.180 1.00 0.00 C ATOM 1767 O PHE A 111 -0.436 -6.659 -10.601 1.00 0.00 O ATOM 1768 CB PHE A 111 0.150 -5.331 -7.981 1.00 0.00 C ATOM 1769 CG PHE A 111 -0.109 -5.607 -6.527 1.00 0.00 C ATOM 1770 CD1 PHE A 111 -0.978 -6.619 -6.139 1.00 0.00 C ATOM 1771 CD2 PHE A 111 0.517 -4.860 -5.549 1.00 0.00 C ATOM 1772 CE1 PHE A 111 -1.211 -6.873 -4.806 1.00 0.00 C ATOM 1773 CE2 PHE A 111 0.288 -5.109 -4.217 1.00 0.00 C ATOM 1774 CZ PHE A 111 -0.578 -6.116 -3.843 1.00 0.00 C ATOM 0 H PHE A 111 2.659 -5.376 -7.987 1.00 0.00 H new ATOM 0 HA PHE A 111 0.648 -7.394 -8.280 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.676 -4.381 -8.076 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.803 -5.221 -8.499 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.476 -7.213 -6.891 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.195 -4.070 -5.834 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.888 -7.663 -4.516 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.786 -4.517 -3.463 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.760 -6.311 -2.796 1.00 0.00 H new ATOM 1784 N SER A 112 1.726 -6.186 -10.995 1.00 0.00 N ATOM 1785 CA SER A 112 1.591 -6.199 -12.462 1.00 0.00 C ATOM 1786 C SER A 112 1.452 -7.626 -13.005 1.00 0.00 C ATOM 1787 O SER A 112 1.215 -7.807 -14.207 1.00 0.00 O ATOM 1788 CB SER A 112 2.804 -5.532 -13.139 1.00 0.00 C ATOM 1789 OG SER A 112 2.912 -4.130 -12.817 1.00 0.00 O ATOM 0 H SER A 112 2.670 -5.985 -10.666 1.00 0.00 H new ATOM 0 HA SER A 112 0.686 -5.637 -12.694 1.00 0.00 H new ATOM 0 HB2 SER A 112 3.716 -6.044 -12.831 1.00 0.00 H new ATOM 0 HB3 SER A 112 2.723 -5.649 -14.220 1.00 0.00 H new ATOM 0 HG SER A 112 2.501 -3.962 -11.943 1.00 0.00 H new ATOM 1795 N GLY A 113 1.627 -8.635 -12.146 1.00 0.00 N ATOM 1796 CA GLY A 113 1.565 -9.998 -12.608 1.00 0.00 C ATOM 1797 C GLY A 113 2.754 -10.818 -12.176 1.00 0.00 C ATOM 1798 O GLY A 113 2.643 -12.047 -12.150 1.00 0.00 O ATOM 0 H GLY A 113 1.809 -8.524 -11.148 1.00 0.00 H new ATOM 0 HA2 GLY A 113 0.654 -10.463 -12.232 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.501 -10.005 -13.696 1.00 0.00 H new ATOM 1802 N GLU A 114 3.902 -10.148 -11.825 1.00 0.00 N ATOM 1803 CA GLU A 114 5.135 -10.856 -11.387 1.00 0.00 C ATOM 1804 C GLU A 114 4.773 -12.119 -10.612 1.00 0.00 C ATOM 1805 O GLU A 114 4.908 -13.250 -11.111 1.00 0.00 O ATOM 1806 CB GLU A 114 6.084 -9.981 -10.502 1.00 0.00 C ATOM 1807 CG GLU A 114 6.101 -8.502 -10.810 1.00 0.00 C ATOM 1808 CD GLU A 114 6.825 -8.140 -12.070 1.00 0.00 C ATOM 1809 OE1 GLU A 114 6.376 -8.546 -13.147 1.00 0.00 O ATOM 1810 OE2 GLU A 114 7.828 -7.432 -11.991 1.00 0.00 O ATOM 0 H GLU A 114 3.989 -9.132 -11.840 1.00 0.00 H new ATOM 0 HA GLU A 114 5.675 -11.099 -12.302 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.797 -10.111 -9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.099 -10.365 -10.604 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.073 -8.146 -10.881 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.564 -7.975 -9.976 1.00 0.00 H new ATOM 1817 N TYR A 115 4.238 -11.902 -9.410 1.00 0.00 N ATOM 1818 CA TYR A 115 3.740 -12.970 -8.553 1.00 0.00 C ATOM 1819 C TYR A 115 2.273 -13.239 -8.830 1.00 0.00 C ATOM 1820 O TYR A 115 1.836 -14.376 -8.793 1.00 0.00 O ATOM 1821 CB TYR A 115 3.973 -12.651 -7.067 1.00 0.00 C ATOM 1822 CG TYR A 115 5.345 -12.090 -6.819 1.00 0.00 C ATOM 1823 CD1 TYR A 115 6.427 -12.920 -6.577 1.00 0.00 C ATOM 1824 CD2 TYR A 115 5.563 -10.736 -6.887 1.00 0.00 C ATOM 1825 CE1 TYR A 115 7.694 -12.403 -6.415 1.00 0.00 C ATOM 1826 CE2 TYR A 115 6.805 -10.213 -6.717 1.00 0.00 C ATOM 1827 CZ TYR A 115 7.875 -11.042 -6.483 1.00 0.00 C ATOM 1828 OH TYR A 115 9.136 -10.505 -6.351 1.00 0.00 O ATOM 0 H TYR A 115 4.139 -10.972 -9.004 1.00 0.00 H new ATOM 0 HA TYR A 115 4.302 -13.875 -8.785 1.00 0.00 H new ATOM 0 HB2 TYR A 115 3.223 -11.937 -6.728 1.00 0.00 H new ATOM 0 HB3 TYR A 115 3.840 -13.558 -6.477 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.276 -13.987 -6.514 1.00 0.00 H new ATOM 0 HD2 TYR A 115 4.731 -10.074 -7.079 1.00 0.00 H new ATOM 0 HE1 TYR A 115 8.534 -13.058 -6.237 1.00 0.00 H new ATOM 0 HE2 TYR A 115 6.951 -9.144 -6.766 1.00 0.00 H new ATOM 0 HH TYR A 115 9.622 -10.981 -5.645 1.00 0.00 H new ATOM 1838 N ILE A 116 1.502 -12.162 -9.058 1.00 0.00 N ATOM 1839 CA ILE A 116 0.047 -12.241 -9.276 1.00 0.00 C ATOM 1840 C ILE A 116 -0.352 -13.430 -10.166 1.00 0.00 C ATOM 1841 O ILE A 116 -1.163 -14.251 -9.753 1.00 0.00 O ATOM 1842 CB ILE A 116 -0.537 -10.913 -9.884 1.00 0.00 C ATOM 1843 CG1 ILE A 116 0.021 -9.665 -9.187 1.00 0.00 C ATOM 1844 CG2 ILE A 116 -2.050 -10.899 -9.821 1.00 0.00 C ATOM 1845 CD1 ILE A 116 -0.190 -9.649 -7.686 1.00 0.00 C ATOM 0 H ILE A 116 1.870 -11.212 -9.096 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.385 -12.392 -8.287 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.224 -10.887 -10.928 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.089 -9.593 -9.394 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -0.448 -8.781 -9.619 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -2.423 -9.969 -10.249 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -2.446 -11.743 -10.387 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.372 -10.976 -8.782 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.232 -8.735 -7.269 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -1.257 -9.688 -7.468 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.303 -10.513 -7.240 1.00 0.00 H new ATOM 1857 N SER A 117 0.202 -13.505 -11.372 1.00 0.00 N ATOM 1858 CA SER A 117 -0.150 -14.584 -12.313 1.00 0.00 C ATOM 1859 C SER A 117 0.191 -15.996 -11.781 1.00 0.00 C ATOM 1860 O SER A 117 -0.464 -16.971 -12.148 1.00 0.00 O ATOM 1861 CB SER A 117 0.464 -14.341 -13.679 1.00 0.00 C ATOM 1862 OG SER A 117 0.808 -12.951 -13.859 1.00 0.00 O ATOM 0 H SER A 117 0.891 -12.842 -11.727 1.00 0.00 H new ATOM 0 HA SER A 117 -1.235 -14.558 -12.416 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.356 -14.957 -13.794 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.237 -14.648 -14.455 1.00 0.00 H new ATOM 0 HG SER A 117 1.661 -12.765 -13.413 1.00 0.00 H new ATOM 1868 N THR A 118 1.172 -16.095 -10.888 1.00 0.00 N ATOM 1869 CA THR A 118 1.489 -17.369 -10.246 1.00 0.00 C ATOM 1870 C THR A 118 0.633 -17.530 -8.962 1.00 0.00 C ATOM 1871 O THR A 118 0.319 -18.650 -8.533 1.00 0.00 O ATOM 1872 CB THR A 118 2.998 -17.450 -9.927 1.00 0.00 C ATOM 1873 OG1 THR A 118 3.528 -16.178 -9.547 1.00 0.00 O ATOM 1874 CG2 THR A 118 3.813 -17.921 -11.096 1.00 0.00 C ATOM 0 H THR A 118 1.758 -15.314 -10.593 1.00 0.00 H new ATOM 0 HA THR A 118 1.251 -18.187 -10.926 1.00 0.00 H new ATOM 0 HB THR A 118 3.070 -18.165 -9.108 1.00 0.00 H new ATOM 0 HG1 THR A 118 2.907 -15.735 -8.932 1.00 0.00 H new ATOM 0 HG21 THR A 118 4.865 -17.959 -10.814 1.00 0.00 H new ATOM 0 HG22 THR A 118 3.481 -18.916 -11.394 1.00 0.00 H new ATOM 0 HG23 THR A 118 3.685 -17.231 -11.930 1.00 0.00 H new ATOM 1882 N LEU A 119 0.263 -16.396 -8.377 1.00 0.00 N ATOM 1883 CA LEU A 119 -0.539 -16.322 -7.179 1.00 0.00 C ATOM 1884 C LEU A 119 -1.990 -16.699 -7.486 1.00 0.00 C ATOM 1885 O LEU A 119 -2.587 -17.539 -6.800 1.00 0.00 O ATOM 1886 CB LEU A 119 -0.472 -14.885 -6.632 1.00 0.00 C ATOM 1887 CG LEU A 119 -0.137 -14.720 -5.151 1.00 0.00 C ATOM 1888 CD1 LEU A 119 1.160 -13.952 -4.975 1.00 0.00 C ATOM 1889 CD2 LEU A 119 -1.259 -14.017 -4.420 1.00 0.00 C ATOM 0 H LEU A 119 0.525 -15.480 -8.741 1.00 0.00 H new ATOM 0 HA LEU A 119 -0.155 -17.022 -6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 119 0.272 -14.337 -7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.434 -14.407 -6.817 1.00 0.00 H new ATOM 0 HG LEU A 119 -0.014 -15.715 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 119 1.379 -13.846 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.972 -14.493 -5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.062 -12.964 -5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -0.997 -13.911 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -1.415 -13.030 -4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -2.174 -14.602 -4.509 1.00 0.00 H new ATOM 1901 N MET A 120 -2.553 -16.072 -8.503 1.00 0.00 N ATOM 1902 CA MET A 120 -3.943 -16.307 -8.900 1.00 0.00 C ATOM 1903 C MET A 120 -4.023 -17.108 -10.201 1.00 0.00 C ATOM 1904 O MET A 120 -3.095 -17.073 -11.016 1.00 0.00 O ATOM 1905 CB MET A 120 -4.683 -14.964 -9.057 1.00 0.00 C ATOM 1906 CG MET A 120 -4.095 -14.039 -10.127 1.00 0.00 C ATOM 1907 SD MET A 120 -5.374 -13.262 -11.128 1.00 0.00 S ATOM 1908 CE MET A 120 -5.237 -11.554 -10.610 1.00 0.00 C ATOM 0 H MET A 120 -2.067 -15.386 -9.080 1.00 0.00 H new ATOM 0 HA MET A 120 -4.423 -16.892 -8.116 1.00 0.00 H new ATOM 0 HB2 MET A 120 -5.726 -15.164 -9.301 1.00 0.00 H new ATOM 0 HB3 MET A 120 -4.674 -14.444 -8.099 1.00 0.00 H new ATOM 0 HG2 MET A 120 -3.492 -13.268 -9.647 1.00 0.00 H new ATOM 0 HG3 MET A 120 -3.427 -14.610 -10.772 1.00 0.00 H new ATOM 0 HE1 MET A 120 -6.198 -11.057 -10.739 1.00 0.00 H new ATOM 0 HE2 MET A 120 -4.945 -11.514 -9.560 1.00 0.00 H new ATOM 0 HE3 MET A 120 -4.484 -11.050 -11.215 1.00 0.00 H new ATOM 1918 N LYS A 121 -5.153 -17.786 -10.413 1.00 0.00 N ATOM 1919 CA LYS A 121 -5.377 -18.552 -11.635 1.00 0.00 C ATOM 1920 C LYS A 121 -6.328 -17.822 -12.583 1.00 0.00 C ATOM 1921 O LYS A 121 -6.791 -16.705 -12.275 1.00 0.00 O ATOM 1922 CB LYS A 121 -5.909 -19.944 -11.313 1.00 0.00 C ATOM 1923 CG LYS A 121 -5.151 -21.047 -12.025 1.00 0.00 C ATOM 1924 CD LYS A 121 -5.325 -22.391 -11.369 1.00 0.00 C ATOM 1925 CE LYS A 121 -4.056 -23.192 -11.527 1.00 0.00 C ATOM 1926 NZ LYS A 121 -3.654 -23.360 -12.952 1.00 0.00 N ATOM 0 H LYS A 121 -5.928 -17.818 -9.750 1.00 0.00 H new ATOM 0 HA LYS A 121 -4.416 -18.657 -12.138 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -5.853 -20.108 -10.237 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -6.962 -19.997 -11.589 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -5.490 -21.106 -13.059 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -4.091 -20.795 -12.051 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -5.560 -22.265 -10.312 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -6.163 -22.923 -11.820 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -3.250 -22.699 -10.982 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -4.193 -24.174 -11.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -2.904 -24.077 -13.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -4.476 -23.665 -13.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -3.301 -22.455 -13.322 1.00 0.00 H new ATOM 1940 N THR A 122 -6.653 -18.464 -13.710 1.00 0.00 N ATOM 1941 CA THR A 122 -7.568 -17.917 -14.684 1.00 0.00 C ATOM 1942 C THR A 122 -9.033 -18.232 -14.295 1.00 0.00 C ATOM 1943 O THR A 122 -9.298 -19.323 -13.783 1.00 0.00 O ATOM 1944 CB THR A 122 -7.218 -18.432 -16.100 1.00 0.00 C ATOM 1945 OG1 THR A 122 -7.942 -17.738 -17.114 1.00 0.00 O ATOM 1946 CG2 THR A 122 -7.433 -19.926 -16.295 1.00 0.00 C ATOM 1947 OXT THR A 122 -9.896 -17.359 -14.467 1.00 0.00 O ATOM 0 H THR A 122 -6.281 -19.380 -13.961 1.00 0.00 H new ATOM 0 HA THR A 122 -7.466 -16.832 -14.696 1.00 0.00 H new ATOM 0 HB THR A 122 -6.150 -18.234 -16.193 1.00 0.00 H new ATOM 0 HG1 THR A 122 -7.692 -18.091 -17.994 1.00 0.00 H new ATOM 0 HG21 THR A 122 -7.164 -20.202 -17.314 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.809 -20.478 -15.592 1.00 0.00 H new ATOM 0 HG23 THR A 122 -8.481 -20.169 -16.118 1.00 0.00 H new TER 1955 THR A 122