USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=35 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 89 SER OG : rot 66:sc= 1.96 USER MOD Set 1.2: A 93 ASN : amide:sc= 0.802 K(o=2.8,f=1.1) USER MOD Set 2.1: A 33 HIS : no HE2:sc= -1.72! C(o=-4.3!,f=-15!) USER MOD Set 2.2: A 38 ASN : amide:sc= -2.54! C(o=-4.3!,f=-7.3!) USER MOD Set 2.3: A 42 SER OG : rot -103:sc= -0.0854 USER MOD Set 3.1: A 22 TYR OH : rot -30:sc= -0.0263 USER MOD Set 3.2: A 104 LYS NZ :NH3+ 176:sc= 1.78 (180deg=0.645) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0.0919 (180deg=0.0257) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00563 USER MOD Single : A 7 LYS NZ :NH3+ 132:sc= 1.81 (180deg=0.627) USER MOD Single : A 9 HIS : no HD1:sc= -0.0286 X(o=-0.029,f=-0.039) USER MOD Single : A 13 GLN : amide:sc= -1.81 K(o=-1.8,f=-2.4!) USER MOD Single : A 15 LYS NZ :NH3+ -168:sc= 1.27 (180deg=0.953) USER MOD Single : A 18 CYS SG : rot 76:sc= -2.1 USER MOD Single : A 20 SER OG : rot 96:sc= 1.25 USER MOD Single : A 28 THR OG1 : rot 81:sc= -1.7! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.67 X(o=-0.67,f=-0.25) USER MOD Single : A 41 THR OG1 : rot 84:sc= 1.23 USER MOD Single : A 45 ASN : amide:sc= -4.94! C(o=-4.9!,f=-8.3!) USER MOD Single : A 47 GLN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 49 ASN : amide:sc= 0.247 K(o=0.25,f=-0.67) USER MOD Single : A 54 HIS : no HE2:sc= -1.62! C(o=-1.6!,f=-11!) USER MOD Single : A 57 SER OG : rot 39:sc= 0.103 USER MOD Single : A 60 MET CE :methyl -165:sc= -3.04! (180deg=-3.77!) USER MOD Single : A 61 SER OG : rot 98:sc= 1.3 USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.11) USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= 0.266 (180deg=-0.777) USER MOD Single : A 66 TYR OH : rot -123:sc= -0.855! USER MOD Single : A 73 SER OG : rot -58:sc= 0.85 USER MOD Single : A 79 TYR OH : rot 114:sc= 0.12 USER MOD Single : A 83 THR OG1 : rot 82:sc= 1.1 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 84:sc= 1.14 USER MOD Single : A 88 SER OG : rot 103:sc= 1.27 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.32) USER MOD Single : A 101 GLN : amide:sc= -1.2 K(o=-1.2,f=-4.7!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 160:sc= 1.21 USER MOD Single : A 112 SER OG : rot 81:sc= 1.05 USER MOD Single : A 115 TYR OH : rot 142:sc= 0.457 USER MOD Single : A 117 SER OG : rot 91:sc= 1.15 USER MOD Single : A 118 THR OG1 : rot 62:sc= 1.34 USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0.0214 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.127 -23.644 -6.816 1.00 0.00 N ATOM 2 CA MET A 1 -10.527 -23.781 -5.394 1.00 0.00 C ATOM 3 C MET A 1 -10.836 -22.407 -4.792 1.00 0.00 C ATOM 4 O MET A 1 -9.919 -21.681 -4.419 1.00 0.00 O ATOM 5 CB MET A 1 -9.379 -24.464 -4.601 1.00 0.00 C ATOM 6 CG MET A 1 -8.824 -25.736 -5.234 1.00 0.00 C ATOM 7 SD MET A 1 -10.113 -26.825 -5.874 1.00 0.00 S ATOM 8 CE MET A 1 -9.880 -28.284 -4.864 1.00 0.00 C ATOM 0 H1 MET A 1 -10.069 -24.586 -7.253 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.833 -23.071 -7.321 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.199 -23.178 -6.872 1.00 0.00 H new ATOM 0 HA MET A 1 -11.426 -24.394 -5.333 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.564 -23.750 -4.484 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.741 -24.702 -3.601 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.148 -25.466 -6.045 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.234 -26.276 -4.494 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.609 -29.043 -5.148 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.873 -28.673 -5.014 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.016 -28.025 -3.814 1.00 0.00 H new ATOM 18 N ASP A 2 -12.122 -22.043 -4.694 1.00 0.00 N ATOM 19 CA ASP A 2 -12.515 -20.744 -4.106 1.00 0.00 C ATOM 20 C ASP A 2 -13.758 -20.896 -3.235 1.00 0.00 C ATOM 21 O ASP A 2 -14.854 -20.439 -3.611 1.00 0.00 O ATOM 22 CB ASP A 2 -12.779 -19.666 -5.189 1.00 0.00 C ATOM 23 CG ASP A 2 -11.550 -19.166 -5.891 1.00 0.00 C ATOM 24 OD1 ASP A 2 -10.573 -18.780 -5.228 1.00 0.00 O ATOM 25 OD2 ASP A 2 -11.562 -19.147 -7.118 1.00 0.00 O ATOM 0 H ASP A 2 -12.903 -22.618 -5.009 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.676 -20.414 -3.494 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -13.463 -20.077 -5.932 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.284 -18.820 -4.724 1.00 0.00 H new ATOM 30 N GLU A 3 -13.611 -21.535 -2.088 1.00 0.00 N ATOM 31 CA GLU A 3 -14.744 -21.718 -1.169 1.00 0.00 C ATOM 32 C GLU A 3 -15.041 -20.431 -0.411 1.00 0.00 C ATOM 33 O GLU A 3 -16.162 -19.917 -0.454 1.00 0.00 O ATOM 34 CB GLU A 3 -14.509 -22.866 -0.163 1.00 0.00 C ATOM 35 CG GLU A 3 -13.055 -23.102 0.248 1.00 0.00 C ATOM 36 CD GLU A 3 -12.947 -23.989 1.430 1.00 0.00 C ATOM 37 OE1 GLU A 3 -13.317 -25.157 1.319 1.00 0.00 O ATOM 38 OE2 GLU A 3 -12.508 -23.528 2.472 1.00 0.00 O ATOM 0 H GLU A 3 -12.731 -21.936 -1.764 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.602 -21.985 -1.787 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.092 -22.662 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.899 -23.788 -0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.510 -23.543 -0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.581 -22.145 0.469 1.00 0.00 H new ATOM 45 N TYR A 4 -14.038 -19.940 0.311 1.00 0.00 N ATOM 46 CA TYR A 4 -14.175 -18.746 1.135 1.00 0.00 C ATOM 47 C TYR A 4 -13.290 -17.612 0.633 1.00 0.00 C ATOM 48 O TYR A 4 -13.734 -16.462 0.557 1.00 0.00 O ATOM 49 CB TYR A 4 -13.812 -19.073 2.595 1.00 0.00 C ATOM 50 CG TYR A 4 -13.919 -17.895 3.532 1.00 0.00 C ATOM 51 CD1 TYR A 4 -12.872 -16.996 3.668 1.00 0.00 C ATOM 52 CD2 TYR A 4 -15.064 -17.682 4.274 1.00 0.00 C ATOM 53 CE1 TYR A 4 -12.964 -15.924 4.515 1.00 0.00 C ATOM 54 CE2 TYR A 4 -15.164 -16.608 5.126 1.00 0.00 C ATOM 55 CZ TYR A 4 -14.109 -15.732 5.242 1.00 0.00 C ATOM 56 OH TYR A 4 -14.198 -14.660 6.094 1.00 0.00 O ATOM 0 H TYR A 4 -13.109 -20.359 0.341 1.00 0.00 H new ATOM 0 HA TYR A 4 -15.213 -18.418 1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -14.466 -19.869 2.952 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -12.793 -19.459 2.628 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -11.968 -17.144 3.096 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -15.893 -18.369 4.184 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -12.139 -15.234 4.609 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -16.065 -16.453 5.701 1.00 0.00 H new ATOM 0 HH TYR A 4 -15.073 -14.664 6.535 1.00 0.00 H new ATOM 66 N SER A 5 -12.015 -17.915 0.402 1.00 0.00 N ATOM 67 CA SER A 5 -11.038 -16.908 0.019 1.00 0.00 C ATOM 68 C SER A 5 -10.772 -16.903 -1.503 1.00 0.00 C ATOM 69 O SER A 5 -9.798 -17.532 -1.982 1.00 0.00 O ATOM 70 CB SER A 5 -9.724 -17.116 0.813 1.00 0.00 C ATOM 71 OG SER A 5 -9.957 -17.848 2.043 1.00 0.00 O ATOM 0 H SER A 5 -11.635 -18.859 0.475 1.00 0.00 H new ATOM 0 HA SER A 5 -11.452 -15.931 0.267 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.007 -17.658 0.196 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.279 -16.148 1.043 1.00 0.00 H new ATOM 0 HG SER A 5 -9.109 -17.964 2.520 1.00 0.00 H new ATOM 77 N PRO A 6 -11.620 -16.170 -2.305 1.00 0.00 N ATOM 78 CA PRO A 6 -11.430 -16.061 -3.754 1.00 0.00 C ATOM 79 C PRO A 6 -10.092 -15.388 -4.065 1.00 0.00 C ATOM 80 O PRO A 6 -9.839 -14.245 -3.618 1.00 0.00 O ATOM 81 CB PRO A 6 -12.607 -15.185 -4.230 1.00 0.00 C ATOM 82 CG PRO A 6 -13.124 -14.506 -3.005 1.00 0.00 C ATOM 83 CD PRO A 6 -12.790 -15.394 -1.846 1.00 0.00 C ATOM 0 HA PRO A 6 -11.411 -17.032 -4.250 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.279 -14.457 -4.972 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.382 -15.791 -4.699 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.666 -13.524 -2.885 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.200 -14.349 -3.075 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.556 -14.813 -0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.625 -16.047 -1.592 1.00 0.00 H new ATOM 91 N LYS A 7 -9.216 -16.100 -4.750 1.00 0.00 N ATOM 92 CA LYS A 7 -7.872 -15.591 -5.028 1.00 0.00 C ATOM 93 C LYS A 7 -7.879 -14.296 -5.847 1.00 0.00 C ATOM 94 O LYS A 7 -7.208 -13.333 -5.473 1.00 0.00 O ATOM 95 CB LYS A 7 -6.995 -16.668 -5.652 1.00 0.00 C ATOM 96 CG LYS A 7 -6.660 -17.796 -4.667 1.00 0.00 C ATOM 97 CD LYS A 7 -7.192 -19.147 -5.121 1.00 0.00 C ATOM 98 CE LYS A 7 -7.645 -19.988 -3.926 1.00 0.00 C ATOM 99 NZ LYS A 7 -8.958 -19.545 -3.388 1.00 0.00 N ATOM 0 H LYS A 7 -9.403 -17.030 -5.126 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.431 -15.324 -4.068 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.503 -17.087 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.070 -16.216 -6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.579 -17.858 -4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.077 -17.555 -3.689 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.028 -19.001 -5.805 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.418 -19.680 -5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.712 -21.034 -4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.894 -19.930 -3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.576 -20.371 -3.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.816 -19.071 -2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.401 -18.882 -4.056 1.00 0.00 H new ATOM 113 N ARG A 8 -8.666 -14.248 -6.941 1.00 0.00 N ATOM 114 CA ARG A 8 -8.759 -13.009 -7.744 1.00 0.00 C ATOM 115 C ARG A 8 -9.164 -11.813 -6.882 1.00 0.00 C ATOM 116 O ARG A 8 -8.607 -10.714 -7.036 1.00 0.00 O ATOM 117 CB ARG A 8 -9.709 -13.151 -8.931 1.00 0.00 C ATOM 118 CG ARG A 8 -11.102 -13.556 -8.578 1.00 0.00 C ATOM 119 CD ARG A 8 -11.755 -14.317 -9.716 1.00 0.00 C ATOM 120 NE ARG A 8 -12.719 -15.292 -9.210 1.00 0.00 N ATOM 121 CZ ARG A 8 -12.395 -16.497 -8.689 1.00 0.00 C ATOM 122 NH1 ARG A 8 -11.135 -16.940 -8.741 1.00 0.00 N ATOM 123 NH2 ARG A 8 -13.333 -17.251 -8.123 1.00 0.00 N ATOM 0 H ARG A 8 -9.231 -15.026 -7.282 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.761 -12.829 -8.143 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.747 -12.200 -9.463 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.297 -13.887 -9.622 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.087 -14.177 -7.682 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.693 -12.671 -8.342 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.257 -13.618 -10.385 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.991 -14.827 -10.303 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.708 -15.046 -9.253 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.411 -16.368 -9.176 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.898 -17.850 -8.346 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.297 -16.920 -8.082 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.088 -18.160 -7.730 1.00 0.00 H new ATOM 137 N HIS A 9 -10.105 -12.044 -5.944 1.00 0.00 N ATOM 138 CA HIS A 9 -10.557 -11.006 -5.009 1.00 0.00 C ATOM 139 C HIS A 9 -9.388 -10.489 -4.198 1.00 0.00 C ATOM 140 O HIS A 9 -9.151 -9.297 -4.161 1.00 0.00 O ATOM 141 CB HIS A 9 -11.627 -11.545 -4.055 1.00 0.00 C ATOM 142 CG HIS A 9 -13.024 -11.273 -4.494 1.00 0.00 C ATOM 143 ND1 HIS A 9 -13.859 -10.392 -3.845 1.00 0.00 N ATOM 144 CD2 HIS A 9 -13.741 -11.777 -5.524 1.00 0.00 C ATOM 145 CE1 HIS A 9 -15.029 -10.371 -4.453 1.00 0.00 C ATOM 146 NE2 HIS A 9 -14.983 -11.200 -5.474 1.00 0.00 N ATOM 0 H HIS A 9 -10.565 -12.945 -5.818 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.988 -10.196 -5.598 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -11.494 -12.622 -3.948 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -11.475 -11.105 -3.069 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -13.399 -12.499 -6.250 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.881 -9.774 -4.162 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -15.748 -11.383 -6.123 1.00 0.00 H new ATOM 155 N ASP A 10 -8.643 -11.411 -3.572 1.00 0.00 N ATOM 156 CA ASP A 10 -7.455 -11.055 -2.762 1.00 0.00 C ATOM 157 C ASP A 10 -6.548 -10.109 -3.534 1.00 0.00 C ATOM 158 O ASP A 10 -6.154 -9.057 -3.020 1.00 0.00 O ATOM 159 CB ASP A 10 -6.661 -12.327 -2.368 1.00 0.00 C ATOM 160 CG ASP A 10 -6.725 -12.664 -0.909 1.00 0.00 C ATOM 161 OD1 ASP A 10 -7.642 -12.191 -0.211 1.00 0.00 O ATOM 162 OD2 ASP A 10 -5.874 -13.426 -0.437 1.00 0.00 O ATOM 0 H ASP A 10 -8.837 -12.412 -3.607 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.802 -10.558 -1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.042 -13.172 -2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.617 -12.193 -2.653 1.00 0.00 H new ATOM 167 N VAL A 11 -6.236 -10.476 -4.775 1.00 0.00 N ATOM 168 CA VAL A 11 -5.396 -9.640 -5.627 1.00 0.00 C ATOM 169 C VAL A 11 -6.107 -8.312 -5.936 1.00 0.00 C ATOM 170 O VAL A 11 -5.556 -7.240 -5.664 1.00 0.00 O ATOM 171 CB VAL A 11 -4.989 -10.351 -6.954 1.00 0.00 C ATOM 172 CG1 VAL A 11 -3.797 -9.654 -7.592 1.00 0.00 C ATOM 173 CG2 VAL A 11 -4.663 -11.824 -6.709 1.00 0.00 C ATOM 0 H VAL A 11 -6.551 -11.343 -5.211 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.477 -9.445 -5.074 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.837 -10.294 -7.636 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.529 -10.165 -8.517 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.056 -8.618 -7.812 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.951 -9.678 -6.905 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.382 -12.296 -7.651 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.836 -11.901 -6.004 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.538 -12.327 -6.298 1.00 0.00 H new ATOM 183 N ALA A 12 -7.357 -8.395 -6.442 1.00 0.00 N ATOM 184 CA ALA A 12 -8.170 -7.190 -6.731 1.00 0.00 C ATOM 185 C ALA A 12 -8.189 -6.279 -5.517 1.00 0.00 C ATOM 186 O ALA A 12 -8.009 -5.058 -5.638 1.00 0.00 O ATOM 187 CB ALA A 12 -9.603 -7.567 -7.116 1.00 0.00 C ATOM 0 H ALA A 12 -7.823 -9.276 -6.658 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.716 -6.669 -7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.174 -6.662 -7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.587 -8.196 -8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.069 -8.111 -6.295 1.00 0.00 H new ATOM 193 N GLN A 13 -8.371 -6.894 -4.351 1.00 0.00 N ATOM 194 CA GLN A 13 -8.360 -6.217 -3.075 1.00 0.00 C ATOM 195 C GLN A 13 -7.005 -5.537 -2.864 1.00 0.00 C ATOM 196 O GLN A 13 -6.943 -4.316 -2.712 1.00 0.00 O ATOM 197 CB GLN A 13 -8.654 -7.234 -1.943 1.00 0.00 C ATOM 198 CG GLN A 13 -10.140 -7.573 -1.779 1.00 0.00 C ATOM 199 CD GLN A 13 -10.383 -8.778 -0.877 1.00 0.00 C ATOM 200 OE1 GLN A 13 -11.145 -9.697 -1.228 1.00 0.00 O ATOM 201 NE2 GLN A 13 -9.772 -8.783 0.285 1.00 0.00 N ATOM 0 H GLN A 13 -8.533 -7.898 -4.275 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.135 -5.450 -3.058 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.102 -8.153 -2.142 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.277 -6.833 -1.002 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.660 -6.708 -1.368 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.572 -7.768 -2.760 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.154 -8.012 0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.915 -9.557 0.933 1.00 0.00 H new ATOM 210 N LEU A 14 -5.917 -6.330 -2.943 1.00 0.00 N ATOM 211 CA LEU A 14 -4.542 -5.811 -2.809 1.00 0.00 C ATOM 212 C LEU A 14 -4.301 -4.646 -3.767 1.00 0.00 C ATOM 213 O LEU A 14 -3.768 -3.601 -3.371 1.00 0.00 O ATOM 214 CB LEU A 14 -3.498 -6.922 -3.079 1.00 0.00 C ATOM 215 CG LEU A 14 -2.310 -7.021 -2.100 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.828 -5.651 -1.655 1.00 0.00 C ATOM 217 CD2 LEU A 14 -2.668 -7.873 -0.900 1.00 0.00 C ATOM 0 H LEU A 14 -5.966 -7.337 -3.100 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.428 -5.459 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.017 -7.881 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.098 -6.775 -4.082 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.491 -7.501 -2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.991 -5.766 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.507 -5.078 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.640 -5.125 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.814 -7.927 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.516 -7.429 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.932 -8.877 -1.232 1.00 0.00 H new ATOM 229 N LYS A 15 -4.662 -4.843 -5.032 1.00 0.00 N ATOM 230 CA LYS A 15 -4.462 -3.825 -6.044 1.00 0.00 C ATOM 231 C LYS A 15 -5.224 -2.556 -5.707 1.00 0.00 C ATOM 232 O LYS A 15 -4.615 -1.499 -5.553 1.00 0.00 O ATOM 233 CB LYS A 15 -4.859 -4.329 -7.436 1.00 0.00 C ATOM 234 CG LYS A 15 -3.767 -5.129 -8.133 1.00 0.00 C ATOM 235 CD LYS A 15 -4.311 -5.904 -9.327 1.00 0.00 C ATOM 236 CE LYS A 15 -3.961 -5.219 -10.646 1.00 0.00 C ATOM 237 NZ LYS A 15 -4.755 -3.988 -10.889 1.00 0.00 N ATOM 0 H LYS A 15 -5.094 -5.701 -5.375 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.397 -3.594 -6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.751 -4.949 -7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.125 -3.475 -8.059 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.978 -4.455 -8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.315 -5.823 -7.424 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.904 -6.915 -9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.394 -5.996 -9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.901 -4.967 -10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.124 -5.918 -11.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.627 -3.681 -11.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.762 -4.184 -10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.434 -3.235 -10.247 1.00 0.00 H new ATOM 251 N PHE A 16 -6.557 -2.654 -5.604 1.00 0.00 N ATOM 252 CA PHE A 16 -7.384 -1.474 -5.340 1.00 0.00 C ATOM 253 C PHE A 16 -6.921 -0.676 -4.135 1.00 0.00 C ATOM 254 O PHE A 16 -6.854 0.554 -4.216 1.00 0.00 O ATOM 255 CB PHE A 16 -8.904 -1.791 -5.302 1.00 0.00 C ATOM 256 CG PHE A 16 -9.529 -2.009 -3.941 1.00 0.00 C ATOM 257 CD1 PHE A 16 -9.666 -0.964 -3.039 1.00 0.00 C ATOM 258 CD2 PHE A 16 -10.005 -3.256 -3.582 1.00 0.00 C ATOM 259 CE1 PHE A 16 -10.258 -1.162 -1.813 1.00 0.00 C ATOM 260 CE2 PHE A 16 -10.605 -3.458 -2.355 1.00 0.00 C ATOM 261 CZ PHE A 16 -10.728 -2.409 -1.469 1.00 0.00 C ATOM 0 H PHE A 16 -7.077 -3.526 -5.698 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.237 -0.822 -6.201 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.433 -0.972 -5.790 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.078 -2.685 -5.901 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -9.303 0.018 -3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.906 -4.083 -4.270 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.354 -0.339 -1.120 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -10.977 -4.436 -2.090 1.00 0.00 H new ATOM 0 HZ PHE A 16 -11.192 -2.565 -0.507 1.00 0.00 H new ATOM 271 N LEU A 17 -6.597 -1.344 -3.022 1.00 0.00 N ATOM 272 CA LEU A 17 -6.129 -0.606 -1.839 1.00 0.00 C ATOM 273 C LEU A 17 -4.830 0.145 -2.146 1.00 0.00 C ATOM 274 O LEU A 17 -4.711 1.339 -1.843 1.00 0.00 O ATOM 275 CB LEU A 17 -5.983 -1.498 -0.583 1.00 0.00 C ATOM 276 CG LEU A 17 -5.265 -2.849 -0.755 1.00 0.00 C ATOM 277 CD1 LEU A 17 -3.793 -2.747 -0.397 1.00 0.00 C ATOM 278 CD2 LEU A 17 -5.941 -3.923 0.083 1.00 0.00 C ATOM 0 H LEU A 17 -6.646 -2.357 -2.913 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.903 0.123 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.449 -0.927 0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.981 -1.694 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.334 -3.128 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.318 -3.719 -0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.311 -2.016 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.692 -2.433 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.420 -4.871 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.910 -3.637 1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.979 -4.031 -0.233 1.00 0.00 H new ATOM 290 N CYS A 18 -3.888 -0.530 -2.820 1.00 0.00 N ATOM 291 CA CYS A 18 -2.628 0.108 -3.228 1.00 0.00 C ATOM 292 C CYS A 18 -2.894 1.212 -4.251 1.00 0.00 C ATOM 293 O CYS A 18 -2.483 2.362 -4.052 1.00 0.00 O ATOM 294 CB CYS A 18 -1.650 -0.923 -3.806 1.00 0.00 C ATOM 295 SG CYS A 18 -1.111 -2.173 -2.621 1.00 0.00 S ATOM 0 H CYS A 18 -3.973 -1.509 -3.092 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.174 0.551 -2.341 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.122 -1.421 -4.653 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.774 -0.401 -4.191 1.00 0.00 H new ATOM 0 HG CYS A 18 -2.062 -3.041 -2.443 1.00 0.00 H new ATOM 301 N GLU A 19 -3.594 0.856 -5.336 1.00 0.00 N ATOM 302 CA GLU A 19 -3.948 1.790 -6.402 1.00 0.00 C ATOM 303 C GLU A 19 -4.704 3.003 -5.862 1.00 0.00 C ATOM 304 O GLU A 19 -4.376 4.136 -6.216 1.00 0.00 O ATOM 305 CB GLU A 19 -4.771 1.077 -7.472 1.00 0.00 C ATOM 306 CG GLU A 19 -4.002 -0.038 -8.180 1.00 0.00 C ATOM 307 CD GLU A 19 -4.737 -0.658 -9.337 1.00 0.00 C ATOM 308 OE1 GLU A 19 -5.830 -0.172 -9.694 1.00 0.00 O ATOM 309 OE2 GLU A 19 -4.224 -1.631 -9.901 1.00 0.00 O ATOM 0 H GLU A 19 -3.930 -0.094 -5.496 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.023 2.155 -6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.666 0.657 -7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.104 1.806 -8.211 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.054 0.362 -8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.765 -0.817 -7.455 1.00 0.00 H new ATOM 316 N SER A 20 -5.692 2.770 -4.995 1.00 0.00 N ATOM 317 CA SER A 20 -6.438 3.873 -4.401 1.00 0.00 C ATOM 318 C SER A 20 -5.515 4.731 -3.569 1.00 0.00 C ATOM 319 O SER A 20 -5.368 5.912 -3.864 1.00 0.00 O ATOM 320 CB SER A 20 -7.619 3.382 -3.578 1.00 0.00 C ATOM 321 OG SER A 20 -8.461 2.541 -4.364 1.00 0.00 O ATOM 0 H SER A 20 -5.988 1.841 -4.694 1.00 0.00 H new ATOM 0 HA SER A 20 -6.847 4.477 -5.210 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.260 2.834 -2.707 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.190 4.233 -3.207 1.00 0.00 H new ATOM 0 HG SER A 20 -8.225 1.603 -4.207 1.00 0.00 H new ATOM 327 N LEU A 21 -4.794 4.108 -2.598 1.00 0.00 N ATOM 328 CA LEU A 21 -3.790 4.836 -1.795 1.00 0.00 C ATOM 329 C LEU A 21 -2.854 5.630 -2.706 1.00 0.00 C ATOM 330 O LEU A 21 -2.522 6.776 -2.410 1.00 0.00 O ATOM 331 CB LEU A 21 -2.976 3.887 -0.904 1.00 0.00 C ATOM 332 CG LEU A 21 -2.096 4.575 0.157 1.00 0.00 C ATOM 333 CD1 LEU A 21 -2.559 4.234 1.563 1.00 0.00 C ATOM 334 CD2 LEU A 21 -0.636 4.207 -0.030 1.00 0.00 C ATOM 0 H LEU A 21 -4.891 3.121 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.329 5.524 -1.144 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.664 3.210 -0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.337 3.275 -1.541 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.198 5.652 0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.918 4.735 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.588 4.566 1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.503 3.156 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.035 4.705 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.518 3.127 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.305 4.524 -1.019 1.00 0.00 H new ATOM 346 N TYR A 22 -2.475 5.026 -3.845 1.00 0.00 N ATOM 347 CA TYR A 22 -1.645 5.696 -4.857 1.00 0.00 C ATOM 348 C TYR A 22 -2.236 7.076 -5.193 1.00 0.00 C ATOM 349 O TYR A 22 -1.503 8.058 -5.331 1.00 0.00 O ATOM 350 CB TYR A 22 -1.567 4.841 -6.137 1.00 0.00 C ATOM 351 CG TYR A 22 -0.187 4.726 -6.732 1.00 0.00 C ATOM 352 CD1 TYR A 22 0.266 5.649 -7.653 1.00 0.00 C ATOM 353 CD2 TYR A 22 0.656 3.690 -6.377 1.00 0.00 C ATOM 354 CE1 TYR A 22 1.518 5.547 -8.203 1.00 0.00 C ATOM 355 CE2 TYR A 22 1.913 3.581 -6.923 1.00 0.00 C ATOM 356 CZ TYR A 22 2.336 4.512 -7.838 1.00 0.00 C ATOM 357 OH TYR A 22 3.602 4.423 -8.376 1.00 0.00 O ATOM 0 H TYR A 22 -2.733 4.069 -4.087 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.640 5.823 -4.454 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.936 3.840 -5.913 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.236 5.267 -6.884 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.377 6.466 -7.946 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.322 2.955 -5.660 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.857 6.280 -8.921 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.563 2.768 -6.634 1.00 0.00 H new ATOM 0 HH TYR A 22 3.604 4.813 -9.275 1.00 0.00 H new ATOM 367 N ASP A 23 -3.571 7.147 -5.294 1.00 0.00 N ATOM 368 CA ASP A 23 -4.265 8.403 -5.562 1.00 0.00 C ATOM 369 C ASP A 23 -4.435 9.208 -4.283 1.00 0.00 C ATOM 370 O ASP A 23 -3.967 10.354 -4.212 1.00 0.00 O ATOM 371 CB ASP A 23 -5.643 8.168 -6.200 1.00 0.00 C ATOM 372 CG ASP A 23 -5.976 9.208 -7.221 1.00 0.00 C ATOM 373 OD1 ASP A 23 -6.348 10.327 -6.848 1.00 0.00 O ATOM 374 OD2 ASP A 23 -5.853 8.918 -8.403 1.00 0.00 O ATOM 0 H ASP A 23 -4.189 6.342 -5.193 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.649 8.962 -6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.662 7.183 -6.667 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.407 8.167 -5.422 1.00 0.00 H new ATOM 379 N GLU A 24 -5.112 8.614 -3.268 1.00 0.00 N ATOM 380 CA GLU A 24 -5.360 9.311 -1.979 1.00 0.00 C ATOM 381 C GLU A 24 -4.072 9.907 -1.419 1.00 0.00 C ATOM 382 O GLU A 24 -4.041 11.079 -1.020 1.00 0.00 O ATOM 383 CB GLU A 24 -6.063 8.429 -0.881 1.00 0.00 C ATOM 384 CG GLU A 24 -6.479 6.998 -1.260 1.00 0.00 C ATOM 385 CD GLU A 24 -7.933 6.852 -1.662 1.00 0.00 C ATOM 386 OE1 GLU A 24 -8.522 7.810 -2.192 1.00 0.00 O ATOM 387 OE2 GLU A 24 -8.501 5.773 -1.437 1.00 0.00 O ATOM 0 H GLU A 24 -5.491 7.668 -3.314 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.063 10.107 -2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.392 8.366 -0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.956 8.959 -0.548 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.851 6.657 -2.083 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.281 6.340 -0.414 1.00 0.00 H new ATOM 394 N GLY A 25 -3.002 9.114 -1.414 1.00 0.00 N ATOM 395 CA GLY A 25 -1.717 9.587 -0.939 1.00 0.00 C ATOM 396 C GLY A 25 -1.259 10.796 -1.697 1.00 0.00 C ATOM 397 O GLY A 25 -1.080 11.862 -1.107 1.00 0.00 O ATOM 0 H GLY A 25 -3.006 8.145 -1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.787 9.827 0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.977 8.793 -1.038 1.00 0.00 H new ATOM 401 N ILE A 26 -1.145 10.665 -3.021 1.00 0.00 N ATOM 402 CA ILE A 26 -0.766 11.793 -3.870 1.00 0.00 C ATOM 403 C ILE A 26 -1.724 12.977 -3.662 1.00 0.00 C ATOM 404 O ILE A 26 -1.278 14.115 -3.522 1.00 0.00 O ATOM 405 CB ILE A 26 -0.695 11.397 -5.376 1.00 0.00 C ATOM 406 CG1 ILE A 26 0.358 10.303 -5.598 1.00 0.00 C ATOM 407 CG2 ILE A 26 -0.365 12.599 -6.240 1.00 0.00 C ATOM 408 CD1 ILE A 26 1.781 10.754 -5.315 1.00 0.00 C ATOM 0 H ILE A 26 -1.309 9.793 -3.525 1.00 0.00 H new ATOM 0 HA ILE A 26 0.236 12.099 -3.571 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.675 11.016 -5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.123 9.451 -4.960 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.295 9.956 -6.629 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.322 12.295 -7.286 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.136 13.359 -6.115 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.600 13.008 -5.941 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.467 9.926 -5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.036 11.586 -5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.862 11.074 -4.276 1.00 0.00 H new ATOM 420 N ALA A 27 -3.032 12.703 -3.574 1.00 0.00 N ATOM 421 CA ALA A 27 -4.014 13.760 -3.299 1.00 0.00 C ATOM 422 C ALA A 27 -3.655 14.460 -1.988 1.00 0.00 C ATOM 423 O ALA A 27 -3.543 15.685 -1.937 1.00 0.00 O ATOM 424 CB ALA A 27 -5.432 13.190 -3.224 1.00 0.00 C ATOM 0 H ALA A 27 -3.431 11.771 -3.687 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.988 14.481 -4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.137 13.995 -3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.685 12.718 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.485 12.450 -2.426 1.00 0.00 H new ATOM 430 N THR A 28 -3.392 13.659 -0.959 1.00 0.00 N ATOM 431 CA THR A 28 -2.977 14.165 0.345 1.00 0.00 C ATOM 432 C THR A 28 -1.648 14.958 0.233 1.00 0.00 C ATOM 433 O THR A 28 -1.514 16.057 0.806 1.00 0.00 O ATOM 434 CB THR A 28 -2.834 12.988 1.348 1.00 0.00 C ATOM 435 OG1 THR A 28 -3.948 12.109 1.302 1.00 0.00 O ATOM 436 CG2 THR A 28 -2.662 13.413 2.781 1.00 0.00 C ATOM 0 H THR A 28 -3.461 12.642 -1.006 1.00 0.00 H new ATOM 0 HA THR A 28 -3.742 14.849 0.714 1.00 0.00 H new ATOM 0 HB THR A 28 -1.924 12.485 1.021 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.849 11.495 0.544 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.570 12.530 3.414 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.763 14.022 2.874 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.529 13.995 3.094 1.00 0.00 H new ATOM 444 N LEU A 29 -0.662 14.382 -0.480 1.00 0.00 N ATOM 445 CA LEU A 29 0.655 15.009 -0.640 1.00 0.00 C ATOM 446 C LEU A 29 0.605 16.252 -1.545 1.00 0.00 C ATOM 447 O LEU A 29 1.474 17.124 -1.443 1.00 0.00 O ATOM 448 CB LEU A 29 1.659 14.013 -1.251 1.00 0.00 C ATOM 449 CG LEU A 29 1.797 12.642 -0.567 1.00 0.00 C ATOM 450 CD1 LEU A 29 2.189 11.577 -1.574 1.00 0.00 C ATOM 451 CD2 LEU A 29 2.815 12.696 0.553 1.00 0.00 C ATOM 0 H LEU A 29 -0.757 13.483 -0.953 1.00 0.00 H new ATOM 0 HA LEU A 29 0.972 15.312 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.377 13.845 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.641 14.486 -1.260 1.00 0.00 H new ATOM 0 HG LEU A 29 0.827 12.383 -0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.281 10.615 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.424 11.509 -2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.144 11.841 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.894 11.715 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.785 12.985 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.499 13.428 1.297 1.00 0.00 H new ATOM 463 N GLY A 30 -0.373 16.319 -2.444 1.00 0.00 N ATOM 464 CA GLY A 30 -0.450 17.438 -3.374 1.00 0.00 C ATOM 465 C GLY A 30 -1.178 18.631 -2.838 1.00 0.00 C ATOM 466 O GLY A 30 -0.856 19.768 -3.201 1.00 0.00 O ATOM 0 H GLY A 30 -1.112 15.623 -2.547 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.561 17.737 -3.650 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.944 17.104 -4.287 1.00 0.00 H new ATOM 470 N ASP A 31 -2.184 18.398 -2.017 1.00 0.00 N ATOM 471 CA ASP A 31 -2.975 19.491 -1.475 1.00 0.00 C ATOM 472 C ASP A 31 -2.333 20.144 -0.264 1.00 0.00 C ATOM 473 O ASP A 31 -2.351 21.372 -0.150 1.00 0.00 O ATOM 474 CB ASP A 31 -4.397 19.076 -1.141 1.00 0.00 C ATOM 475 CG ASP A 31 -5.283 20.267 -0.970 1.00 0.00 C ATOM 476 OD1 ASP A 31 -5.716 20.838 -1.981 1.00 0.00 O ATOM 477 OD2 ASP A 31 -5.537 20.659 0.163 1.00 0.00 O ATOM 0 H ASP A 31 -2.473 17.469 -1.711 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.013 20.230 -2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.788 18.440 -1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.400 18.483 -0.226 1.00 0.00 H new ATOM 482 N SER A 32 -1.837 19.323 0.691 1.00 0.00 N ATOM 483 CA SER A 32 -1.287 19.853 1.946 1.00 0.00 C ATOM 484 C SER A 32 -2.320 20.799 2.584 1.00 0.00 C ATOM 485 O SER A 32 -2.130 22.018 2.636 1.00 0.00 O ATOM 486 CB SER A 32 0.031 20.568 1.691 1.00 0.00 C ATOM 487 OG SER A 32 0.965 19.717 1.008 1.00 0.00 O ATOM 0 H SER A 32 -1.809 18.306 0.613 1.00 0.00 H new ATOM 0 HA SER A 32 -1.084 19.033 2.634 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.148 21.464 1.097 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.459 20.894 2.639 1.00 0.00 H new ATOM 0 HG SER A 32 1.802 20.205 0.857 1.00 0.00 H new ATOM 493 N HIS A 33 -3.471 20.225 2.933 1.00 0.00 N ATOM 494 CA HIS A 33 -4.666 20.974 3.389 1.00 0.00 C ATOM 495 C HIS A 33 -4.373 22.104 4.378 1.00 0.00 C ATOM 496 O HIS A 33 -5.040 23.139 4.335 1.00 0.00 O ATOM 497 CB HIS A 33 -5.724 20.019 3.963 1.00 0.00 C ATOM 498 CG HIS A 33 -6.346 19.149 2.918 1.00 0.00 C ATOM 499 ND1 HIS A 33 -5.741 18.009 2.426 1.00 0.00 N ATOM 500 CD2 HIS A 33 -7.496 19.290 2.223 1.00 0.00 C ATOM 501 CE1 HIS A 33 -6.497 17.497 1.465 1.00 0.00 C ATOM 502 NE2 HIS A 33 -7.567 18.254 1.323 1.00 0.00 N ATOM 0 H HIS A 33 -3.613 19.215 2.911 1.00 0.00 H new ATOM 0 HA HIS A 33 -5.054 21.461 2.495 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -5.264 19.391 4.726 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.503 20.601 4.456 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -4.854 17.623 2.750 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.227 20.075 2.351 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.274 16.608 0.894 1.00 0.00 H new ATOM 511 N HIS A 34 -3.385 21.930 5.253 1.00 0.00 N ATOM 512 CA HIS A 34 -3.042 22.979 6.228 1.00 0.00 C ATOM 513 C HIS A 34 -2.358 24.207 5.571 1.00 0.00 C ATOM 514 O HIS A 34 -2.176 25.233 6.222 1.00 0.00 O ATOM 515 CB HIS A 34 -2.166 22.418 7.361 1.00 0.00 C ATOM 516 CG HIS A 34 -2.866 22.310 8.680 1.00 0.00 C ATOM 517 ND1 HIS A 34 -2.261 22.627 9.872 1.00 0.00 N ATOM 518 CD2 HIS A 34 -4.130 21.923 8.994 1.00 0.00 C ATOM 519 CE1 HIS A 34 -3.119 22.441 10.867 1.00 0.00 C ATOM 520 NE2 HIS A 34 -4.261 22.015 10.358 1.00 0.00 N ATOM 0 H HIS A 34 -2.812 21.088 5.313 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.985 23.325 6.651 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.805 21.431 7.072 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.290 23.056 7.478 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.892 21.602 8.299 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.918 22.609 11.915 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.102 21.791 10.890 1.00 0.00 H new ATOM 529 N GLY A 35 -1.949 24.092 4.301 1.00 0.00 N ATOM 530 CA GLY A 35 -1.277 25.206 3.614 1.00 0.00 C ATOM 531 C GLY A 35 0.241 25.137 3.694 1.00 0.00 C ATOM 532 O GLY A 35 0.938 25.636 2.802 1.00 0.00 O ATOM 0 H GLY A 35 -2.068 23.253 3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.578 25.212 2.567 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.614 26.147 4.048 1.00 0.00 H new ATOM 536 N TRP A 36 0.754 24.454 4.704 1.00 0.00 N ATOM 537 CA TRP A 36 2.187 24.225 4.857 1.00 0.00 C ATOM 538 C TRP A 36 2.458 22.766 4.538 1.00 0.00 C ATOM 539 O TRP A 36 3.126 22.443 3.558 1.00 0.00 O ATOM 540 CB TRP A 36 2.632 24.538 6.301 1.00 0.00 C ATOM 541 CG TRP A 36 3.655 25.611 6.424 1.00 0.00 C ATOM 542 CD1 TRP A 36 3.430 26.914 6.721 1.00 0.00 C ATOM 543 CD2 TRP A 36 5.070 25.471 6.278 1.00 0.00 C ATOM 544 NE1 TRP A 36 4.613 27.596 6.760 1.00 0.00 N ATOM 545 CE2 TRP A 36 5.634 26.739 6.490 1.00 0.00 C ATOM 546 CE3 TRP A 36 5.912 24.400 5.984 1.00 0.00 C ATOM 547 CZ2 TRP A 36 6.999 26.966 6.419 1.00 0.00 C ATOM 548 CZ3 TRP A 36 7.271 24.626 5.916 1.00 0.00 C ATOM 549 CH2 TRP A 36 7.801 25.902 6.133 1.00 0.00 C ATOM 0 H TRP A 36 0.189 24.040 5.445 1.00 0.00 H new ATOM 0 HA TRP A 36 2.745 24.877 4.185 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.755 24.824 6.882 1.00 0.00 H new ATOM 0 HB3 TRP A 36 3.027 23.626 6.749 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.458 27.349 6.901 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.715 28.591 6.960 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.508 23.413 5.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 7.412 27.950 6.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 7.936 23.805 5.692 1.00 0.00 H new ATOM 0 HH2 TRP A 36 8.869 26.047 6.073 1.00 0.00 H new ATOM 560 N VAL A 37 1.871 21.897 5.342 1.00 0.00 N ATOM 561 CA VAL A 37 1.965 20.458 5.176 1.00 0.00 C ATOM 562 C VAL A 37 0.578 19.829 5.359 1.00 0.00 C ATOM 563 O VAL A 37 -0.372 20.525 5.767 1.00 0.00 O ATOM 564 CB VAL A 37 2.975 19.836 6.174 1.00 0.00 C ATOM 565 CG1 VAL A 37 4.399 20.013 5.661 1.00 0.00 C ATOM 566 CG2 VAL A 37 2.833 20.450 7.573 1.00 0.00 C ATOM 0 H VAL A 37 1.305 22.177 6.143 1.00 0.00 H new ATOM 0 HA VAL A 37 2.329 20.252 4.170 1.00 0.00 H new ATOM 0 HB VAL A 37 2.754 18.772 6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.099 19.572 6.371 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.502 19.519 4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.616 21.075 5.550 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.556 19.991 8.247 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.017 21.523 7.520 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.825 20.273 7.947 1.00 0.00 H new ATOM 576 N ASN A 38 0.428 18.544 5.044 1.00 0.00 N ATOM 577 CA ASN A 38 -0.874 17.917 5.226 1.00 0.00 C ATOM 578 C ASN A 38 -0.993 17.369 6.632 1.00 0.00 C ATOM 579 O ASN A 38 -0.349 16.377 6.972 1.00 0.00 O ATOM 580 CB ASN A 38 -1.150 16.814 4.207 1.00 0.00 C ATOM 581 CG ASN A 38 -2.634 16.569 4.108 1.00 0.00 C ATOM 582 OD1 ASN A 38 -3.366 17.343 3.473 1.00 0.00 O ATOM 583 ND2 ASN A 38 -3.100 15.527 4.747 1.00 0.00 N ATOM 0 H ASN A 38 1.162 17.938 4.676 1.00 0.00 H new ATOM 0 HA ASN A 38 -1.625 18.691 5.065 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.754 17.099 3.233 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -0.640 15.897 4.503 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.100 15.326 4.735 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -2.463 14.915 5.258 1.00 0.00 H new ATOM 590 N ASP A 39 -1.810 18.036 7.444 1.00 0.00 N ATOM 591 CA ASP A 39 -1.990 17.679 8.855 1.00 0.00 C ATOM 592 C ASP A 39 -2.470 16.249 9.053 1.00 0.00 C ATOM 593 O ASP A 39 -3.399 15.806 8.361 1.00 0.00 O ATOM 594 CB ASP A 39 -2.971 18.629 9.545 1.00 0.00 C ATOM 595 CG ASP A 39 -2.895 18.513 11.026 1.00 0.00 C ATOM 596 OD1 ASP A 39 -1.984 19.081 11.617 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.739 17.834 11.606 1.00 0.00 O ATOM 0 H ASP A 39 -2.366 18.838 7.146 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.002 17.769 9.306 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.754 19.655 9.248 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.986 18.409 9.214 1.00 0.00 H new ATOM 602 N PRO A 40 -1.889 15.521 10.047 1.00 0.00 N ATOM 603 CA PRO A 40 -2.296 14.142 10.391 1.00 0.00 C ATOM 604 C PRO A 40 -3.808 13.994 10.675 1.00 0.00 C ATOM 605 O PRO A 40 -4.360 12.895 10.564 1.00 0.00 O ATOM 606 CB PRO A 40 -1.484 13.823 11.665 1.00 0.00 C ATOM 607 CG PRO A 40 -0.947 15.134 12.137 1.00 0.00 C ATOM 608 CD PRO A 40 -0.793 15.986 10.918 1.00 0.00 C ATOM 0 HA PRO A 40 -2.106 13.465 9.558 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.113 13.360 12.425 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.677 13.123 11.450 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.626 15.598 12.853 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.009 15.003 12.644 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.886 17.046 11.152 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.181 15.848 10.449 1.00 0.00 H new ATOM 616 N THR A 41 -4.463 15.085 11.075 1.00 0.00 N ATOM 617 CA THR A 41 -5.883 15.057 11.397 1.00 0.00 C ATOM 618 C THR A 41 -6.772 15.243 10.150 1.00 0.00 C ATOM 619 O THR A 41 -7.963 14.899 10.178 1.00 0.00 O ATOM 620 CB THR A 41 -6.209 16.117 12.453 1.00 0.00 C ATOM 621 OG1 THR A 41 -5.077 16.404 13.286 1.00 0.00 O ATOM 622 CG2 THR A 41 -7.325 15.710 13.345 1.00 0.00 C ATOM 0 H THR A 41 -4.027 16.001 11.183 1.00 0.00 H new ATOM 0 HA THR A 41 -6.104 14.069 11.801 1.00 0.00 H new ATOM 0 HB THR A 41 -6.499 17.001 11.885 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.501 17.060 12.841 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.514 16.498 14.074 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.223 15.543 12.751 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.058 14.790 13.866 1.00 0.00 H new ATOM 630 N SER A 42 -6.222 15.837 9.089 1.00 0.00 N ATOM 631 CA SER A 42 -6.975 16.098 7.876 1.00 0.00 C ATOM 632 C SER A 42 -7.629 14.811 7.329 1.00 0.00 C ATOM 633 O SER A 42 -7.093 13.699 7.516 1.00 0.00 O ATOM 634 CB SER A 42 -6.064 16.738 6.836 1.00 0.00 C ATOM 635 OG SER A 42 -4.997 15.869 6.468 1.00 0.00 O ATOM 0 H SER A 42 -5.250 16.146 9.053 1.00 0.00 H new ATOM 0 HA SER A 42 -7.784 16.790 8.111 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.646 16.996 5.951 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.656 17.668 7.232 1.00 0.00 H new ATOM 0 HG SER A 42 -4.171 16.161 6.908 1.00 0.00 H new ATOM 641 N ALA A 43 -8.791 14.962 6.678 1.00 0.00 N ATOM 642 CA ALA A 43 -9.543 13.816 6.138 1.00 0.00 C ATOM 643 C ALA A 43 -8.668 12.864 5.344 1.00 0.00 C ATOM 644 O ALA A 43 -8.696 11.659 5.585 1.00 0.00 O ATOM 645 CB ALA A 43 -10.742 14.264 5.313 1.00 0.00 C ATOM 0 H ALA A 43 -9.232 15.866 6.512 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.914 13.266 7.003 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.270 13.389 4.933 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.415 14.850 5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.401 14.874 4.476 1.00 0.00 H new ATOM 651 N VAL A 44 -7.873 13.405 4.427 1.00 0.00 N ATOM 652 CA VAL A 44 -6.989 12.626 3.622 1.00 0.00 C ATOM 653 C VAL A 44 -6.066 11.804 4.502 1.00 0.00 C ATOM 654 O VAL A 44 -6.046 10.578 4.421 1.00 0.00 O ATOM 655 CB VAL A 44 -6.131 13.480 2.660 1.00 0.00 C ATOM 656 CG1 VAL A 44 -6.554 13.302 1.218 1.00 0.00 C ATOM 657 CG2 VAL A 44 -6.102 14.929 3.020 1.00 0.00 C ATOM 0 H VAL A 44 -7.837 14.406 4.233 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.622 11.979 3.015 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.114 13.105 2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.926 13.919 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.446 12.255 0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.595 13.603 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.482 15.469 2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.115 15.330 2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.687 15.047 4.021 1.00 0.00 H new ATOM 667 N ASN A 45 -5.341 12.500 5.394 1.00 0.00 N ATOM 668 CA ASN A 45 -4.435 11.845 6.331 1.00 0.00 C ATOM 669 C ASN A 45 -5.157 10.762 7.107 1.00 0.00 C ATOM 670 O ASN A 45 -4.700 9.618 7.155 1.00 0.00 O ATOM 671 CB ASN A 45 -3.801 12.842 7.294 1.00 0.00 C ATOM 672 CG ASN A 45 -2.356 12.508 7.570 1.00 0.00 C ATOM 673 OD1 ASN A 45 -2.029 11.368 7.909 1.00 0.00 O ATOM 674 ND2 ASN A 45 -1.474 13.494 7.440 1.00 0.00 N ATOM 0 H ASN A 45 -5.370 13.516 5.480 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.637 11.390 5.744 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.869 13.846 6.875 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.359 12.849 8.231 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.485 13.321 7.623 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.786 14.423 7.157 1.00 0.00 H new ATOM 681 N LEU A 46 -6.326 11.105 7.668 1.00 0.00 N ATOM 682 CA LEU A 46 -7.146 10.127 8.382 1.00 0.00 C ATOM 683 C LEU A 46 -7.436 8.937 7.483 1.00 0.00 C ATOM 684 O LEU A 46 -7.070 7.806 7.812 1.00 0.00 O ATOM 685 CB LEU A 46 -8.449 10.747 8.885 1.00 0.00 C ATOM 686 CG LEU A 46 -8.301 11.761 10.024 1.00 0.00 C ATOM 687 CD1 LEU A 46 -9.637 12.355 10.374 1.00 0.00 C ATOM 688 CD2 LEU A 46 -7.674 11.117 11.249 1.00 0.00 C ATOM 0 H LEU A 46 -6.719 12.046 7.639 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.585 9.789 9.254 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.944 11.238 8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.107 9.945 9.219 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.640 12.558 9.683 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.515 13.073 11.185 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.051 12.860 9.501 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.316 11.563 10.690 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.580 11.859 12.042 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.305 10.297 11.592 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.687 10.733 10.993 1.00 0.00 H new ATOM 700 N GLN A 47 -7.996 9.197 6.302 1.00 0.00 N ATOM 701 CA GLN A 47 -8.232 8.165 5.338 1.00 0.00 C ATOM 702 C GLN A 47 -6.997 7.320 5.090 1.00 0.00 C ATOM 703 O GLN A 47 -7.083 6.101 5.091 1.00 0.00 O ATOM 704 CB GLN A 47 -8.681 8.800 4.097 1.00 0.00 C ATOM 705 CG GLN A 47 -10.071 9.373 4.266 1.00 0.00 C ATOM 706 CD GLN A 47 -10.789 9.273 3.029 1.00 0.00 C ATOM 707 OE1 GLN A 47 -11.923 8.800 2.975 1.00 0.00 O ATOM 708 NE2 GLN A 47 -10.165 9.711 2.014 1.00 0.00 N ATOM 0 H GLN A 47 -8.291 10.127 6.004 1.00 0.00 H new ATOM 0 HA GLN A 47 -8.995 7.487 5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.987 9.592 3.815 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.678 8.071 3.287 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.603 8.836 5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.010 10.415 4.579 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.225 10.093 2.119 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.604 9.681 1.094 1.00 0.00 H new ATOM 717 N LEU A 48 -5.846 7.974 4.897 1.00 0.00 N ATOM 718 CA LEU A 48 -4.569 7.276 4.646 1.00 0.00 C ATOM 719 C LEU A 48 -4.135 6.456 5.853 1.00 0.00 C ATOM 720 O LEU A 48 -3.824 5.275 5.720 1.00 0.00 O ATOM 721 CB LEU A 48 -3.447 8.263 4.306 1.00 0.00 C ATOM 722 CG LEU A 48 -3.696 9.263 3.169 1.00 0.00 C ATOM 723 CD1 LEU A 48 -2.428 9.510 2.410 1.00 0.00 C ATOM 724 CD2 LEU A 48 -4.787 8.800 2.225 1.00 0.00 C ATOM 0 H LEU A 48 -5.767 8.991 4.909 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.744 6.614 3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.216 8.831 5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.557 7.686 4.056 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.035 10.193 3.625 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.618 10.221 1.606 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.674 9.917 3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.068 8.572 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.926 9.541 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.502 7.847 1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.719 8.678 2.777 1.00 0.00 H new ATOM 736 N ASN A 49 -4.115 7.081 7.035 1.00 0.00 N ATOM 737 CA ASN A 49 -3.725 6.379 8.268 1.00 0.00 C ATOM 738 C ASN A 49 -4.662 5.187 8.515 1.00 0.00 C ATOM 739 O ASN A 49 -4.225 4.119 8.966 1.00 0.00 O ATOM 740 CB ASN A 49 -3.642 7.359 9.472 1.00 0.00 C ATOM 741 CG ASN A 49 -4.746 7.217 10.501 1.00 0.00 C ATOM 742 OD1 ASN A 49 -4.483 6.959 11.669 1.00 0.00 O ATOM 743 ND2 ASN A 49 -5.970 7.411 10.084 1.00 0.00 N ATOM 0 H ASN A 49 -4.361 8.062 7.167 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.720 5.974 8.149 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.683 7.216 9.970 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.653 8.380 9.090 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.748 7.349 10.741 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.147 7.624 9.102 1.00 0.00 H new ATOM 750 N ASP A 50 -5.926 5.333 8.086 1.00 0.00 N ATOM 751 CA ASP A 50 -6.883 4.232 8.102 1.00 0.00 C ATOM 752 C ASP A 50 -6.472 3.234 7.036 1.00 0.00 C ATOM 753 O ASP A 50 -6.260 2.055 7.326 1.00 0.00 O ATOM 754 CB ASP A 50 -8.299 4.732 7.806 1.00 0.00 C ATOM 755 CG ASP A 50 -9.293 3.618 7.746 1.00 0.00 C ATOM 756 OD1 ASP A 50 -9.406 2.981 6.699 1.00 0.00 O ATOM 757 OD2 ASP A 50 -9.932 3.353 8.754 1.00 0.00 O ATOM 0 H ASP A 50 -6.303 6.209 7.724 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.885 3.771 9.090 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.599 5.443 8.576 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.301 5.269 6.858 1.00 0.00 H new ATOM 762 N LEU A 51 -6.341 3.746 5.797 1.00 0.00 N ATOM 763 CA LEU A 51 -5.909 3.003 4.621 1.00 0.00 C ATOM 764 C LEU A 51 -4.764 2.088 4.972 1.00 0.00 C ATOM 765 O LEU A 51 -4.857 0.874 4.789 1.00 0.00 O ATOM 766 CB LEU A 51 -5.439 3.992 3.547 1.00 0.00 C ATOM 767 CG LEU A 51 -6.451 4.321 2.476 1.00 0.00 C ATOM 768 CD1 LEU A 51 -6.564 5.815 2.224 1.00 0.00 C ATOM 769 CD2 LEU A 51 -6.091 3.628 1.229 1.00 0.00 C ATOM 0 H LEU A 51 -6.543 4.724 5.591 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.745 2.408 4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.141 4.919 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.549 3.585 3.068 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.425 3.980 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.305 5.998 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.871 6.317 3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.597 6.204 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.822 3.866 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.102 3.952 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.082 2.552 1.401 1.00 0.00 H new ATOM 781 N ILE A 52 -3.696 2.689 5.479 1.00 0.00 N ATOM 782 CA ILE A 52 -2.496 1.973 5.908 1.00 0.00 C ATOM 783 C ILE A 52 -2.888 0.766 6.777 1.00 0.00 C ATOM 784 O ILE A 52 -2.637 -0.373 6.399 1.00 0.00 O ATOM 785 CB ILE A 52 -1.523 2.930 6.686 1.00 0.00 C ATOM 786 CG1 ILE A 52 -1.014 4.035 5.759 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.337 2.185 7.303 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.544 5.258 6.494 1.00 0.00 C ATOM 0 H ILE A 52 -3.635 3.699 5.607 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.970 1.611 5.025 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.095 3.368 7.504 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.194 3.645 5.156 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.810 4.317 5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.304 2.893 7.829 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.703 1.436 8.005 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.234 1.695 6.515 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.196 6.002 5.777 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.368 5.672 7.076 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.273 4.989 7.163 1.00 0.00 H new ATOM 800 N GLU A 53 -3.578 1.024 7.888 1.00 0.00 N ATOM 801 CA GLU A 53 -4.063 -0.049 8.771 1.00 0.00 C ATOM 802 C GLU A 53 -4.959 -1.034 8.012 1.00 0.00 C ATOM 803 O GLU A 53 -4.738 -2.249 8.046 1.00 0.00 O ATOM 804 CB GLU A 53 -4.828 0.546 9.952 1.00 0.00 C ATOM 805 CG GLU A 53 -3.949 0.880 11.117 1.00 0.00 C ATOM 806 CD GLU A 53 -4.672 0.781 12.415 1.00 0.00 C ATOM 807 OE1 GLU A 53 -4.730 -0.308 12.961 1.00 0.00 O ATOM 808 OE2 GLU A 53 -5.200 1.787 12.878 1.00 0.00 O ATOM 0 H GLU A 53 -3.816 1.965 8.202 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.195 -0.595 9.141 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.344 1.448 9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.593 -0.160 10.274 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.092 0.206 11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.558 1.890 10.997 1.00 0.00 H new ATOM 815 N HIS A 54 -5.961 -0.499 7.328 1.00 0.00 N ATOM 816 CA HIS A 54 -6.910 -1.294 6.541 1.00 0.00 C ATOM 817 C HIS A 54 -6.172 -2.227 5.559 1.00 0.00 C ATOM 818 O HIS A 54 -6.528 -3.405 5.415 1.00 0.00 O ATOM 819 CB HIS A 54 -7.951 -0.355 5.873 1.00 0.00 C ATOM 820 CG HIS A 54 -8.054 -0.358 4.378 1.00 0.00 C ATOM 821 ND1 HIS A 54 -7.036 0.044 3.559 1.00 0.00 N ATOM 822 CD2 HIS A 54 -9.098 -0.642 3.565 1.00 0.00 C ATOM 823 CE1 HIS A 54 -7.441 0.017 2.298 1.00 0.00 C ATOM 824 NE2 HIS A 54 -8.698 -0.397 2.273 1.00 0.00 N ATOM 0 H HIS A 54 -6.144 0.504 7.300 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.471 -1.962 7.195 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.932 -0.608 6.274 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.730 0.665 6.189 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -6.106 0.322 3.871 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.070 -0.997 3.875 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -6.847 0.287 1.437 1.00 0.00 H new ATOM 833 N ILE A 55 -5.080 -1.728 4.991 1.00 0.00 N ATOM 834 CA ILE A 55 -4.199 -2.533 4.150 1.00 0.00 C ATOM 835 C ILE A 55 -3.377 -3.478 5.051 1.00 0.00 C ATOM 836 O ILE A 55 -3.301 -4.671 4.788 1.00 0.00 O ATOM 837 CB ILE A 55 -3.227 -1.640 3.304 1.00 0.00 C ATOM 838 CG1 ILE A 55 -3.997 -0.762 2.325 1.00 0.00 C ATOM 839 CG2 ILE A 55 -2.205 -2.483 2.544 1.00 0.00 C ATOM 840 CD1 ILE A 55 -3.171 0.359 1.741 1.00 0.00 C ATOM 0 H ILE A 55 -4.781 -0.759 5.099 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.815 -3.103 3.454 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.693 -1.001 4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.377 -1.383 1.514 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.863 -0.338 2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.549 -1.829 1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.611 -3.061 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.724 -3.162 1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.784 0.942 1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.813 1.003 2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.319 -0.058 1.204 1.00 0.00 H new ATOM 852 N ALA A 56 -2.785 -2.918 6.123 1.00 0.00 N ATOM 853 CA ALA A 56 -1.974 -3.681 7.086 1.00 0.00 C ATOM 854 C ALA A 56 -2.711 -4.931 7.546 1.00 0.00 C ATOM 855 O ALA A 56 -2.213 -6.051 7.376 1.00 0.00 O ATOM 856 CB ALA A 56 -1.598 -2.805 8.296 1.00 0.00 C ATOM 0 H ALA A 56 -2.856 -1.925 6.344 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.057 -3.989 6.583 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.999 -3.388 8.995 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.023 -1.943 7.957 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.505 -2.463 8.793 1.00 0.00 H new ATOM 862 N SER A 57 -3.910 -4.735 8.087 1.00 0.00 N ATOM 863 CA SER A 57 -4.754 -5.840 8.549 1.00 0.00 C ATOM 864 C SER A 57 -4.981 -6.858 7.429 1.00 0.00 C ATOM 865 O SER A 57 -4.833 -8.080 7.635 1.00 0.00 O ATOM 866 CB SER A 57 -6.101 -5.320 9.082 1.00 0.00 C ATOM 867 OG SER A 57 -6.600 -4.199 8.313 1.00 0.00 O ATOM 0 H SER A 57 -4.325 -3.813 8.218 1.00 0.00 H new ATOM 0 HA SER A 57 -4.232 -6.338 9.366 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.833 -6.127 9.061 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.986 -5.021 10.124 1.00 0.00 H new ATOM 0 HG SER A 57 -6.417 -4.347 7.362 1.00 0.00 H new ATOM 873 N PHE A 58 -5.284 -6.352 6.222 1.00 0.00 N ATOM 874 CA PHE A 58 -5.469 -7.217 5.066 1.00 0.00 C ATOM 875 C PHE A 58 -4.186 -7.975 4.786 1.00 0.00 C ATOM 876 O PHE A 58 -4.203 -9.189 4.694 1.00 0.00 O ATOM 877 CB PHE A 58 -5.916 -6.427 3.814 1.00 0.00 C ATOM 878 CG PHE A 58 -6.143 -7.295 2.590 1.00 0.00 C ATOM 879 CD1 PHE A 58 -6.933 -8.433 2.664 1.00 0.00 C ATOM 880 CD2 PHE A 58 -5.563 -6.974 1.377 1.00 0.00 C ATOM 881 CE1 PHE A 58 -7.138 -9.223 1.558 1.00 0.00 C ATOM 882 CE2 PHE A 58 -5.767 -7.765 0.264 1.00 0.00 C ATOM 883 CZ PHE A 58 -6.557 -8.890 0.354 1.00 0.00 C ATOM 0 H PHE A 58 -5.403 -5.357 6.031 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.267 -7.922 5.299 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.837 -5.891 4.044 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.161 -5.677 3.581 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.393 -8.702 3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.943 -6.093 1.299 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.755 -10.106 1.633 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.307 -7.502 -0.677 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.720 -9.509 -0.516 1.00 0.00 H new ATOM 893 N VAL A 59 -3.068 -7.249 4.698 1.00 0.00 N ATOM 894 CA VAL A 59 -1.760 -7.849 4.457 1.00 0.00 C ATOM 895 C VAL A 59 -1.436 -8.920 5.499 1.00 0.00 C ATOM 896 O VAL A 59 -1.154 -10.053 5.127 1.00 0.00 O ATOM 897 CB VAL A 59 -0.632 -6.778 4.413 1.00 0.00 C ATOM 898 CG1 VAL A 59 0.745 -7.423 4.245 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.891 -5.795 3.283 1.00 0.00 C ATOM 0 H VAL A 59 -3.047 -6.234 4.792 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.808 -8.326 3.478 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.638 -6.244 5.363 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.510 -6.647 4.218 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.938 -8.093 5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.770 -7.990 3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.096 -5.049 3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.914 -6.330 2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.849 -5.300 3.444 1.00 0.00 H new ATOM 909 N MET A 60 -1.495 -8.564 6.795 1.00 0.00 N ATOM 910 CA MET A 60 -1.209 -9.534 7.878 1.00 0.00 C ATOM 911 C MET A 60 -1.949 -10.852 7.623 1.00 0.00 C ATOM 912 O MET A 60 -1.333 -11.924 7.537 1.00 0.00 O ATOM 913 CB MET A 60 -1.616 -8.979 9.257 1.00 0.00 C ATOM 914 CG MET A 60 -0.460 -8.628 10.145 1.00 0.00 C ATOM 915 SD MET A 60 -0.862 -7.380 11.385 1.00 0.00 S ATOM 916 CE MET A 60 -1.522 -6.067 10.363 1.00 0.00 C ATOM 0 H MET A 60 -1.734 -7.627 7.119 1.00 0.00 H new ATOM 0 HA MET A 60 -0.134 -9.711 7.881 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.230 -8.091 9.111 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.238 -9.717 9.764 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.111 -9.530 10.648 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.364 -8.266 9.530 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.564 -5.143 10.940 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.879 -5.924 9.495 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.525 -6.334 10.031 1.00 0.00 H new ATOM 926 N SER A 61 -3.262 -10.745 7.439 1.00 0.00 N ATOM 927 CA SER A 61 -4.106 -11.873 7.137 1.00 0.00 C ATOM 928 C SER A 61 -3.743 -12.456 5.764 1.00 0.00 C ATOM 929 O SER A 61 -3.656 -13.674 5.602 1.00 0.00 O ATOM 930 CB SER A 61 -5.564 -11.420 7.171 1.00 0.00 C ATOM 931 OG SER A 61 -5.781 -10.431 8.202 1.00 0.00 O ATOM 0 H SER A 61 -3.765 -9.860 7.498 1.00 0.00 H new ATOM 0 HA SER A 61 -3.958 -12.657 7.879 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.841 -11.005 6.202 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.211 -12.280 7.347 1.00 0.00 H new ATOM 0 HG SER A 61 -5.762 -9.535 7.805 1.00 0.00 H new ATOM 937 N PHE A 62 -3.486 -11.578 4.790 1.00 0.00 N ATOM 938 CA PHE A 62 -3.071 -11.980 3.447 1.00 0.00 C ATOM 939 C PHE A 62 -1.896 -12.939 3.520 1.00 0.00 C ATOM 940 O PHE A 62 -1.953 -14.004 2.960 1.00 0.00 O ATOM 941 CB PHE A 62 -2.685 -10.757 2.605 1.00 0.00 C ATOM 942 CG PHE A 62 -2.741 -10.995 1.127 1.00 0.00 C ATOM 943 CD1 PHE A 62 -1.651 -11.509 0.447 1.00 0.00 C ATOM 944 CD2 PHE A 62 -3.886 -10.706 0.416 1.00 0.00 C ATOM 945 CE1 PHE A 62 -1.707 -11.728 -0.910 1.00 0.00 C ATOM 946 CE2 PHE A 62 -3.948 -10.922 -0.942 1.00 0.00 C ATOM 947 CZ PHE A 62 -2.858 -11.436 -1.608 1.00 0.00 C ATOM 0 H PHE A 62 -3.561 -10.568 4.913 1.00 0.00 H new ATOM 0 HA PHE A 62 -3.914 -12.481 2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.351 -9.931 2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.676 -10.446 2.875 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.746 -11.741 0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.746 -10.305 0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.848 -12.129 -1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.852 -10.688 -1.485 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.905 -11.609 -2.673 1.00 0.00 H new ATOM 957 N LYS A 63 -0.863 -12.565 4.279 1.00 0.00 N ATOM 958 CA LYS A 63 0.338 -13.421 4.462 1.00 0.00 C ATOM 959 C LYS A 63 -0.023 -14.823 5.001 1.00 0.00 C ATOM 960 O LYS A 63 0.737 -15.778 4.810 1.00 0.00 O ATOM 961 CB LYS A 63 1.399 -12.747 5.376 1.00 0.00 C ATOM 962 CG LYS A 63 1.433 -11.209 5.307 1.00 0.00 C ATOM 963 CD LYS A 63 2.841 -10.650 5.185 1.00 0.00 C ATOM 964 CE LYS A 63 3.582 -10.696 6.517 1.00 0.00 C ATOM 965 NZ LYS A 63 5.036 -10.462 6.366 1.00 0.00 N ATOM 0 H LYS A 63 -0.823 -11.678 4.781 1.00 0.00 H new ATOM 0 HA LYS A 63 0.775 -13.545 3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.211 -13.046 6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.384 -13.130 5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.841 -10.876 4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.962 -10.800 6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.396 -11.220 4.440 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.795 -9.621 4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.164 -9.945 7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.420 -11.667 6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.477 -10.402 7.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.461 -11.248 5.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.193 -9.571 5.853 1.00 0.00 H new ATOM 979 N ILE A 64 -1.183 -14.943 5.655 1.00 0.00 N ATOM 980 CA ILE A 64 -1.663 -16.216 6.180 1.00 0.00 C ATOM 981 C ILE A 64 -2.234 -17.064 5.036 1.00 0.00 C ATOM 982 O ILE A 64 -1.896 -18.247 4.895 1.00 0.00 O ATOM 983 CB ILE A 64 -2.775 -16.000 7.264 1.00 0.00 C ATOM 984 CG1 ILE A 64 -2.333 -14.973 8.312 1.00 0.00 C ATOM 985 CG2 ILE A 64 -3.158 -17.304 7.945 1.00 0.00 C ATOM 986 CD1 ILE A 64 -3.293 -14.834 9.475 1.00 0.00 C ATOM 0 H ILE A 64 -1.811 -14.159 5.833 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.821 -16.729 6.644 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.654 -15.617 6.745 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.353 -15.257 8.694 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.218 -14.002 7.830 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.931 -17.112 8.689 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.536 -18.005 7.201 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.282 -17.730 8.433 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.912 -14.090 10.174 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.269 -14.519 9.106 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.390 -15.793 9.984 1.00 0.00 H new ATOM 998 N LYS A 65 -3.102 -16.458 4.220 1.00 0.00 N ATOM 999 CA LYS A 65 -3.718 -17.181 3.094 1.00 0.00 C ATOM 1000 C LYS A 65 -2.796 -17.251 1.879 1.00 0.00 C ATOM 1001 O LYS A 65 -2.847 -18.218 1.105 1.00 0.00 O ATOM 1002 CB LYS A 65 -5.085 -16.584 2.691 1.00 0.00 C ATOM 1003 CG LYS A 65 -5.098 -15.068 2.465 1.00 0.00 C ATOM 1004 CD LYS A 65 -5.924 -14.346 3.529 1.00 0.00 C ATOM 1005 CE LYS A 65 -6.934 -13.383 2.911 1.00 0.00 C ATOM 1006 NZ LYS A 65 -6.298 -12.362 2.038 1.00 0.00 N ATOM 0 H LYS A 65 -3.393 -15.485 4.312 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.886 -18.197 3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.421 -17.074 1.777 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.811 -16.825 3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.076 -14.689 2.478 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.506 -14.851 1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.449 -15.080 4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.258 -13.796 4.194 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.660 -13.950 2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.485 -12.882 3.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.025 -11.904 1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.826 -11.646 2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.596 -12.820 1.422 1.00 0.00 H new ATOM 1020 N TYR A 66 -2.010 -16.211 1.681 1.00 0.00 N ATOM 1021 CA TYR A 66 -1.125 -16.094 0.547 1.00 0.00 C ATOM 1022 C TYR A 66 0.296 -15.718 1.004 1.00 0.00 C ATOM 1023 O TYR A 66 0.600 -14.544 1.201 1.00 0.00 O ATOM 1024 CB TYR A 66 -1.672 -15.022 -0.422 1.00 0.00 C ATOM 1025 CG TYR A 66 -2.264 -15.558 -1.710 1.00 0.00 C ATOM 1026 CD1 TYR A 66 -1.646 -16.583 -2.413 1.00 0.00 C ATOM 1027 CD2 TYR A 66 -3.431 -15.017 -2.237 1.00 0.00 C ATOM 1028 CE1 TYR A 66 -2.164 -17.052 -3.592 1.00 0.00 C ATOM 1029 CE2 TYR A 66 -3.961 -15.486 -3.420 1.00 0.00 C ATOM 1030 CZ TYR A 66 -3.319 -16.505 -4.095 1.00 0.00 C ATOM 1031 OH TYR A 66 -3.833 -16.983 -5.282 1.00 0.00 O ATOM 0 H TYR A 66 -1.970 -15.413 2.315 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.076 -17.056 0.036 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.436 -14.442 0.097 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.864 -14.334 -0.671 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.739 -17.020 -2.023 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.930 -14.217 -1.711 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.666 -17.849 -4.124 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.871 -15.060 -3.816 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.924 -16.245 -5.920 1.00 0.00 H new ATOM 1041 N PRO A 67 1.164 -16.723 1.271 1.00 0.00 N ATOM 1042 CA PRO A 67 2.548 -16.482 1.733 1.00 0.00 C ATOM 1043 C PRO A 67 3.583 -16.463 0.566 1.00 0.00 C ATOM 1044 O PRO A 67 4.756 -16.110 0.764 1.00 0.00 O ATOM 1045 CB PRO A 67 2.789 -17.706 2.603 1.00 0.00 C ATOM 1046 CG PRO A 67 2.089 -18.804 1.862 1.00 0.00 C ATOM 1047 CD PRO A 67 0.856 -18.177 1.237 1.00 0.00 C ATOM 0 HA PRO A 67 2.663 -15.517 2.226 1.00 0.00 H new ATOM 0 HB2 PRO A 67 3.853 -17.914 2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.380 -17.573 3.605 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.737 -19.232 1.098 1.00 0.00 H new ATOM 0 HG3 PRO A 67 1.814 -19.614 2.537 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.695 -18.531 0.219 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.046 -18.411 1.802 1.00 0.00 H new ATOM 1055 N ASP A 68 3.160 -16.939 -0.622 1.00 0.00 N ATOM 1056 CA ASP A 68 4.053 -17.078 -1.787 1.00 0.00 C ATOM 1057 C ASP A 68 4.484 -15.744 -2.380 1.00 0.00 C ATOM 1058 O ASP A 68 5.516 -15.660 -3.064 1.00 0.00 O ATOM 1059 CB ASP A 68 3.413 -17.964 -2.861 1.00 0.00 C ATOM 1060 CG ASP A 68 4.395 -18.492 -3.841 1.00 0.00 C ATOM 1061 OD1 ASP A 68 5.342 -19.148 -3.425 1.00 0.00 O ATOM 1062 OD2 ASP A 68 4.216 -18.277 -5.036 1.00 0.00 O ATOM 0 H ASP A 68 2.200 -17.235 -0.799 1.00 0.00 H new ATOM 0 HA ASP A 68 4.960 -17.559 -1.419 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.905 -18.799 -2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.652 -17.391 -3.391 1.00 0.00 H new ATOM 1067 N ASP A 69 3.711 -14.724 -2.118 1.00 0.00 N ATOM 1068 CA ASP A 69 3.963 -13.383 -2.586 1.00 0.00 C ATOM 1069 C ASP A 69 4.641 -12.536 -1.519 1.00 0.00 C ATOM 1070 O ASP A 69 4.603 -11.314 -1.595 1.00 0.00 O ATOM 1071 CB ASP A 69 2.653 -12.759 -2.946 1.00 0.00 C ATOM 1072 CG ASP A 69 1.744 -12.566 -1.764 1.00 0.00 C ATOM 1073 OD1 ASP A 69 1.077 -13.534 -1.414 1.00 0.00 O ATOM 1074 OD2 ASP A 69 1.717 -11.462 -1.183 1.00 0.00 O ATOM 0 H ASP A 69 2.863 -14.803 -1.557 1.00 0.00 H new ATOM 0 HA ASP A 69 4.628 -13.432 -3.448 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.835 -11.793 -3.417 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.151 -13.384 -3.684 1.00 0.00 H new ATOM 1079 N GLY A 70 5.244 -13.186 -0.534 1.00 0.00 N ATOM 1080 CA GLY A 70 5.904 -12.495 0.579 1.00 0.00 C ATOM 1081 C GLY A 70 6.645 -11.226 0.174 1.00 0.00 C ATOM 1082 O GLY A 70 6.550 -10.225 0.867 1.00 0.00 O ATOM 0 H GLY A 70 5.293 -14.203 -0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.156 -12.242 1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.609 -13.180 1.050 1.00 0.00 H new ATOM 1086 N ASP A 71 7.309 -11.236 -1.001 1.00 0.00 N ATOM 1087 CA ASP A 71 7.995 -10.027 -1.525 1.00 0.00 C ATOM 1088 C ASP A 71 7.002 -8.886 -1.694 1.00 0.00 C ATOM 1089 O ASP A 71 7.274 -7.755 -1.295 1.00 0.00 O ATOM 1090 CB ASP A 71 8.647 -10.308 -2.888 1.00 0.00 C ATOM 1091 CG ASP A 71 10.141 -10.354 -2.862 1.00 0.00 C ATOM 1092 OD1 ASP A 71 10.764 -9.689 -2.031 1.00 0.00 O ATOM 1093 OD2 ASP A 71 10.705 -11.060 -3.693 1.00 0.00 O ATOM 0 H ASP A 71 7.387 -12.056 -1.602 1.00 0.00 H new ATOM 0 HA ASP A 71 8.765 -9.751 -0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.273 -11.259 -3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.332 -9.539 -3.593 1.00 0.00 H new ATOM 1098 N LEU A 72 5.835 -9.207 -2.247 1.00 0.00 N ATOM 1099 CA LEU A 72 4.753 -8.248 -2.423 1.00 0.00 C ATOM 1100 C LEU A 72 4.251 -7.800 -1.085 1.00 0.00 C ATOM 1101 O LEU A 72 4.208 -6.610 -0.811 1.00 0.00 O ATOM 1102 CB LEU A 72 3.587 -8.863 -3.194 1.00 0.00 C ATOM 1103 CG LEU A 72 2.491 -7.867 -3.617 1.00 0.00 C ATOM 1104 CD1 LEU A 72 2.754 -7.300 -4.997 1.00 0.00 C ATOM 1105 CD2 LEU A 72 1.116 -8.511 -3.540 1.00 0.00 C ATOM 0 H LEU A 72 5.615 -10.143 -2.586 1.00 0.00 H new ATOM 0 HA LEU A 72 5.147 -7.403 -2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.978 -9.351 -4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.133 -9.640 -2.579 1.00 0.00 H new ATOM 0 HG LEU A 72 2.514 -7.033 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.960 -6.602 -5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.711 -6.779 -5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.780 -8.111 -5.725 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.358 -7.788 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.081 -9.374 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.922 -8.833 -2.517 1.00 0.00 H new ATOM 1117 N SER A 73 3.899 -8.765 -0.243 1.00 0.00 N ATOM 1118 CA SER A 73 3.416 -8.476 1.100 1.00 0.00 C ATOM 1119 C SER A 73 4.427 -7.564 1.810 1.00 0.00 C ATOM 1120 O SER A 73 4.079 -6.478 2.274 1.00 0.00 O ATOM 1121 CB SER A 73 3.172 -9.786 1.880 1.00 0.00 C ATOM 1122 OG SER A 73 3.207 -10.939 1.011 1.00 0.00 O ATOM 0 H SER A 73 3.940 -9.759 -0.469 1.00 0.00 H new ATOM 0 HA SER A 73 2.460 -7.955 1.048 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.928 -9.893 2.657 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.205 -9.737 2.381 1.00 0.00 H new ATOM 0 HG SER A 73 2.530 -10.841 0.310 1.00 0.00 H new ATOM 1128 N GLU A 74 5.696 -7.967 1.747 1.00 0.00 N ATOM 1129 CA GLU A 74 6.817 -7.214 2.217 1.00 0.00 C ATOM 1130 C GLU A 74 6.819 -5.795 1.604 1.00 0.00 C ATOM 1131 O GLU A 74 6.894 -4.799 2.333 1.00 0.00 O ATOM 1132 CB GLU A 74 8.076 -7.973 1.805 1.00 0.00 C ATOM 1133 CG GLU A 74 9.297 -7.554 2.512 1.00 0.00 C ATOM 1134 CD GLU A 74 10.100 -8.702 3.014 1.00 0.00 C ATOM 1135 OE1 GLU A 74 10.607 -9.478 2.194 1.00 0.00 O ATOM 1136 OE2 GLU A 74 10.203 -8.853 4.223 1.00 0.00 O ATOM 0 H GLU A 74 5.962 -8.867 1.347 1.00 0.00 H new ATOM 0 HA GLU A 74 6.771 -7.099 3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.917 -9.037 1.979 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.229 -7.844 0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.911 -6.954 1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.023 -6.914 3.351 1.00 0.00 H new ATOM 1143 N LEU A 75 6.702 -5.717 0.273 1.00 0.00 N ATOM 1144 CA LEU A 75 6.642 -4.429 -0.441 1.00 0.00 C ATOM 1145 C LEU A 75 5.489 -3.609 0.113 1.00 0.00 C ATOM 1146 O LEU A 75 5.660 -2.443 0.464 1.00 0.00 O ATOM 1147 CB LEU A 75 6.440 -4.653 -1.958 1.00 0.00 C ATOM 1148 CG LEU A 75 6.977 -3.572 -2.928 1.00 0.00 C ATOM 1149 CD1 LEU A 75 7.544 -2.368 -2.199 1.00 0.00 C ATOM 1150 CD2 LEU A 75 8.008 -4.162 -3.859 1.00 0.00 C ATOM 0 H LEU A 75 6.647 -6.533 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 75 7.583 -3.898 -0.295 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.909 -5.601 -2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.371 -4.764 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 75 6.128 -3.219 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.907 -1.641 -2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.765 -1.913 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.368 -2.685 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.374 -3.388 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.839 -4.559 -3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.556 -4.966 -4.440 1.00 0.00 H new ATOM 1162 N VAL A 76 4.323 -4.241 0.228 1.00 0.00 N ATOM 1163 CA VAL A 76 3.154 -3.591 0.811 1.00 0.00 C ATOM 1164 C VAL A 76 3.497 -3.083 2.218 1.00 0.00 C ATOM 1165 O VAL A 76 3.255 -1.924 2.518 1.00 0.00 O ATOM 1166 CB VAL A 76 1.897 -4.522 0.868 1.00 0.00 C ATOM 1167 CG1 VAL A 76 0.648 -3.718 1.213 1.00 0.00 C ATOM 1168 CG2 VAL A 76 1.689 -5.257 -0.457 1.00 0.00 C ATOM 0 H VAL A 76 4.164 -5.202 -0.075 1.00 0.00 H new ATOM 0 HA VAL A 76 2.893 -2.757 0.160 1.00 0.00 H new ATOM 0 HB VAL A 76 2.072 -5.262 1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.215 -4.383 1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.779 -3.242 2.185 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.486 -2.953 0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.808 -5.895 -0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.546 -4.531 -1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.564 -5.869 -0.675 1.00 0.00 H new ATOM 1178 N GLU A 77 4.133 -3.935 3.045 1.00 0.00 N ATOM 1179 CA GLU A 77 4.580 -3.518 4.389 1.00 0.00 C ATOM 1180 C GLU A 77 5.475 -2.271 4.279 1.00 0.00 C ATOM 1181 O GLU A 77 5.253 -1.274 4.981 1.00 0.00 O ATOM 1182 CB GLU A 77 5.345 -4.644 5.099 1.00 0.00 C ATOM 1183 CG GLU A 77 4.522 -5.888 5.410 1.00 0.00 C ATOM 1184 CD GLU A 77 5.303 -6.889 6.195 1.00 0.00 C ATOM 1185 OE1 GLU A 77 5.724 -6.565 7.308 1.00 0.00 O ATOM 1186 OE2 GLU A 77 5.528 -7.998 5.696 1.00 0.00 O ATOM 0 H GLU A 77 4.347 -4.904 2.811 1.00 0.00 H new ATOM 0 HA GLU A 77 3.695 -3.284 4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.193 -4.934 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.752 -4.254 6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.631 -5.603 5.969 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.183 -6.341 4.479 1.00 0.00 H new ATOM 1193 N GLU A 78 6.443 -2.314 3.349 1.00 0.00 N ATOM 1194 CA GLU A 78 7.324 -1.171 3.072 1.00 0.00 C ATOM 1195 C GLU A 78 6.470 0.051 2.673 1.00 0.00 C ATOM 1196 O GLU A 78 6.553 1.106 3.306 1.00 0.00 O ATOM 1197 CB GLU A 78 8.326 -1.529 1.947 1.00 0.00 C ATOM 1198 CG GLU A 78 9.353 -2.594 2.334 1.00 0.00 C ATOM 1199 CD GLU A 78 10.441 -2.744 1.319 1.00 0.00 C ATOM 1200 OE1 GLU A 78 11.132 -1.763 1.029 1.00 0.00 O ATOM 1201 OE2 GLU A 78 10.606 -3.837 0.782 1.00 0.00 O ATOM 0 H GLU A 78 6.635 -3.134 2.774 1.00 0.00 H new ATOM 0 HA GLU A 78 7.893 -0.926 3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.769 -1.878 1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.854 -0.624 1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.793 -2.335 3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.847 -3.551 2.462 1.00 0.00 H new ATOM 1208 N TYR A 79 5.600 -0.150 1.677 1.00 0.00 N ATOM 1209 CA TYR A 79 4.640 0.867 1.194 1.00 0.00 C ATOM 1210 C TYR A 79 3.846 1.446 2.372 1.00 0.00 C ATOM 1211 O TYR A 79 3.763 2.669 2.542 1.00 0.00 O ATOM 1212 CB TYR A 79 3.673 0.196 0.189 1.00 0.00 C ATOM 1213 CG TYR A 79 2.823 1.110 -0.689 1.00 0.00 C ATOM 1214 CD1 TYR A 79 2.948 2.495 -0.671 1.00 0.00 C ATOM 1215 CD2 TYR A 79 1.885 0.556 -1.552 1.00 0.00 C ATOM 1216 CE1 TYR A 79 2.164 3.287 -1.490 1.00 0.00 C ATOM 1217 CE2 TYR A 79 1.102 1.342 -2.368 1.00 0.00 C ATOM 1218 CZ TYR A 79 1.244 2.706 -2.335 1.00 0.00 C ATOM 1219 OH TYR A 79 0.470 3.499 -3.155 1.00 0.00 O ATOM 0 H TYR A 79 5.537 -1.034 1.172 1.00 0.00 H new ATOM 0 HA TYR A 79 5.179 1.680 0.708 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.261 -0.447 -0.466 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.000 -0.451 0.751 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.666 2.957 -0.010 1.00 0.00 H new ATOM 0 HD2 TYR A 79 1.767 -0.517 -1.584 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.273 4.361 -1.467 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.380 0.887 -3.030 1.00 0.00 H new ATOM 0 HH TYR A 79 0.704 3.328 -4.091 1.00 0.00 H new ATOM 1229 N LEU A 80 3.257 0.561 3.170 1.00 0.00 N ATOM 1230 CA LEU A 80 2.471 0.943 4.343 1.00 0.00 C ATOM 1231 C LEU A 80 3.306 1.769 5.285 1.00 0.00 C ATOM 1232 O LEU A 80 2.954 2.904 5.608 1.00 0.00 O ATOM 1233 CB LEU A 80 1.971 -0.309 5.072 1.00 0.00 C ATOM 1234 CG LEU A 80 0.877 -1.078 4.355 1.00 0.00 C ATOM 1235 CD1 LEU A 80 0.519 -2.339 5.113 1.00 0.00 C ATOM 1236 CD2 LEU A 80 -0.323 -0.192 4.176 1.00 0.00 C ATOM 0 H LEU A 80 3.310 -0.447 3.022 1.00 0.00 H new ATOM 0 HA LEU A 80 1.618 1.533 4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.816 -0.977 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.603 -0.015 6.055 1.00 0.00 H new ATOM 0 HG LEU A 80 1.238 -1.381 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.267 -2.873 4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.399 -2.976 5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.167 -2.076 6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.109 -0.744 3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.686 0.131 5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.046 0.681 3.585 1.00 0.00 H new ATOM 1248 N ASP A 81 4.433 1.197 5.685 1.00 0.00 N ATOM 1249 CA ASP A 81 5.394 1.846 6.576 1.00 0.00 C ATOM 1250 C ASP A 81 5.761 3.230 6.057 1.00 0.00 C ATOM 1251 O ASP A 81 5.671 4.221 6.791 1.00 0.00 O ATOM 1252 CB ASP A 81 6.652 0.984 6.694 1.00 0.00 C ATOM 1253 CG ASP A 81 7.326 1.067 8.030 1.00 0.00 C ATOM 1254 OD1 ASP A 81 7.326 2.134 8.644 1.00 0.00 O ATOM 1255 OD2 ASP A 81 7.874 0.061 8.463 1.00 0.00 O ATOM 0 H ASP A 81 4.712 0.259 5.399 1.00 0.00 H new ATOM 0 HA ASP A 81 4.936 1.957 7.559 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.388 -0.055 6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.360 1.286 5.922 1.00 0.00 H new ATOM 1260 N ASP A 82 6.150 3.295 4.778 1.00 0.00 N ATOM 1261 CA ASP A 82 6.494 4.572 4.124 1.00 0.00 C ATOM 1262 C ASP A 82 5.334 5.550 4.275 1.00 0.00 C ATOM 1263 O ASP A 82 5.489 6.632 4.859 1.00 0.00 O ATOM 1264 CB ASP A 82 6.793 4.374 2.615 1.00 0.00 C ATOM 1265 CG ASP A 82 8.179 3.865 2.310 1.00 0.00 C ATOM 1266 OD1 ASP A 82 9.119 4.192 3.036 1.00 0.00 O ATOM 1267 OD2 ASP A 82 8.330 3.124 1.343 1.00 0.00 O ATOM 0 H ASP A 82 6.236 2.480 4.171 1.00 0.00 H new ATOM 0 HA ASP A 82 7.389 4.965 4.605 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.065 3.675 2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.648 5.325 2.102 1.00 0.00 H new ATOM 1272 N THR A 83 4.149 5.128 3.796 1.00 0.00 N ATOM 1273 CA THR A 83 2.917 5.927 3.902 1.00 0.00 C ATOM 1274 C THR A 83 2.713 6.375 5.356 1.00 0.00 C ATOM 1275 O THR A 83 2.539 7.571 5.634 1.00 0.00 O ATOM 1276 CB THR A 83 1.674 5.112 3.422 1.00 0.00 C ATOM 1277 OG1 THR A 83 1.937 4.371 2.229 1.00 0.00 O ATOM 1278 CG2 THR A 83 0.454 5.967 3.146 1.00 0.00 C ATOM 0 H THR A 83 4.020 4.231 3.328 1.00 0.00 H new ATOM 0 HA THR A 83 3.021 6.801 3.259 1.00 0.00 H new ATOM 0 HB THR A 83 1.468 4.444 4.258 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.399 3.537 2.457 1.00 0.00 H new ATOM 0 HG21 THR A 83 -0.369 5.332 2.817 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.165 6.493 4.056 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.687 6.692 2.366 1.00 0.00 H new ATOM 1286 N TYR A 84 2.754 5.400 6.274 1.00 0.00 N ATOM 1287 CA TYR A 84 2.592 5.643 7.701 1.00 0.00 C ATOM 1288 C TYR A 84 3.558 6.728 8.172 1.00 0.00 C ATOM 1289 O TYR A 84 3.125 7.757 8.691 1.00 0.00 O ATOM 1290 CB TYR A 84 2.764 4.313 8.492 1.00 0.00 C ATOM 1291 CG TYR A 84 3.467 4.414 9.830 1.00 0.00 C ATOM 1292 CD1 TYR A 84 2.811 4.898 10.951 1.00 0.00 C ATOM 1293 CD2 TYR A 84 4.782 4.011 9.966 1.00 0.00 C ATOM 1294 CE1 TYR A 84 3.456 4.978 12.171 1.00 0.00 C ATOM 1295 CE2 TYR A 84 5.427 4.085 11.174 1.00 0.00 C ATOM 1296 CZ TYR A 84 4.769 4.569 12.271 1.00 0.00 C ATOM 1297 OH TYR A 84 5.428 4.634 13.480 1.00 0.00 O ATOM 0 H TYR A 84 2.902 4.418 6.039 1.00 0.00 H new ATOM 0 HA TYR A 84 1.584 6.010 7.894 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.776 3.882 8.656 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.317 3.612 7.867 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.782 5.217 10.870 1.00 0.00 H new ATOM 0 HD2 TYR A 84 5.311 3.631 9.105 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.936 5.358 13.038 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.454 3.761 11.259 1.00 0.00 H new ATOM 0 HH TYR A 84 6.345 4.305 13.371 1.00 0.00 H new ATOM 1307 N THR A 85 4.842 6.516 7.962 1.00 0.00 N ATOM 1308 CA THR A 85 5.856 7.497 8.357 1.00 0.00 C ATOM 1309 C THR A 85 5.560 8.889 7.736 1.00 0.00 C ATOM 1310 O THR A 85 5.689 9.920 8.409 1.00 0.00 O ATOM 1311 CB THR A 85 7.271 6.998 7.972 1.00 0.00 C ATOM 1312 OG1 THR A 85 7.386 5.588 8.178 1.00 0.00 O ATOM 1313 CG2 THR A 85 8.388 7.660 8.761 1.00 0.00 C ATOM 0 H THR A 85 5.217 5.676 7.521 1.00 0.00 H new ATOM 0 HA THR A 85 5.820 7.609 9.441 1.00 0.00 H new ATOM 0 HB THR A 85 7.384 7.261 6.920 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.037 5.113 7.395 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.349 7.260 8.437 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.366 8.736 8.590 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.251 7.459 9.824 1.00 0.00 H new ATOM 1321 N LEU A 86 5.176 8.902 6.464 1.00 0.00 N ATOM 1322 CA LEU A 86 4.894 10.133 5.728 1.00 0.00 C ATOM 1323 C LEU A 86 3.779 10.947 6.334 1.00 0.00 C ATOM 1324 O LEU A 86 3.978 12.097 6.714 1.00 0.00 O ATOM 1325 CB LEU A 86 4.478 9.776 4.307 1.00 0.00 C ATOM 1326 CG LEU A 86 5.550 9.817 3.230 1.00 0.00 C ATOM 1327 CD1 LEU A 86 6.928 9.588 3.818 1.00 0.00 C ATOM 1328 CD2 LEU A 86 5.249 8.802 2.145 1.00 0.00 C ATOM 0 H LEU A 86 5.050 8.055 5.910 1.00 0.00 H new ATOM 0 HA LEU A 86 5.806 10.730 5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.055 8.771 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.678 10.454 4.011 1.00 0.00 H new ATOM 0 HG LEU A 86 5.544 10.811 2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.673 9.623 3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.144 10.364 4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.959 8.612 4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.026 8.844 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.221 7.803 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.283 9.028 1.693 1.00 0.00 H new ATOM 1340 N PHE A 87 2.583 10.398 6.251 1.00 0.00 N ATOM 1341 CA PHE A 87 1.374 11.116 6.606 1.00 0.00 C ATOM 1342 C PHE A 87 1.173 11.247 8.092 1.00 0.00 C ATOM 1343 O PHE A 87 0.560 12.210 8.540 1.00 0.00 O ATOM 1344 CB PHE A 87 0.155 10.501 5.910 1.00 0.00 C ATOM 1345 CG PHE A 87 0.304 10.481 4.409 1.00 0.00 C ATOM 1346 CD1 PHE A 87 0.009 11.602 3.659 1.00 0.00 C ATOM 1347 CD2 PHE A 87 0.772 9.351 3.757 1.00 0.00 C ATOM 1348 CE1 PHE A 87 0.172 11.597 2.288 1.00 0.00 C ATOM 1349 CE2 PHE A 87 0.943 9.342 2.387 1.00 0.00 C ATOM 1350 CZ PHE A 87 0.641 10.464 1.653 1.00 0.00 C ATOM 0 H PHE A 87 2.422 9.442 5.936 1.00 0.00 H new ATOM 0 HA PHE A 87 1.494 12.137 6.243 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.007 9.484 6.272 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.737 11.067 6.177 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.353 12.493 4.150 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.006 8.465 4.329 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.067 12.479 1.712 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.313 8.456 1.893 1.00 0.00 H new ATOM 0 HZ PHE A 87 0.770 10.460 0.581 1.00 0.00 H new ATOM 1360 N SER A 88 1.723 10.326 8.870 1.00 0.00 N ATOM 1361 CA SER A 88 1.588 10.419 10.304 1.00 0.00 C ATOM 1362 C SER A 88 2.451 11.550 10.889 1.00 0.00 C ATOM 1363 O SER A 88 2.114 12.114 11.952 1.00 0.00 O ATOM 1364 CB SER A 88 1.895 9.098 10.939 1.00 0.00 C ATOM 1365 OG SER A 88 1.201 8.043 10.267 1.00 0.00 O ATOM 0 H SER A 88 2.256 9.523 8.535 1.00 0.00 H new ATOM 0 HA SER A 88 0.553 10.673 10.532 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.969 8.913 10.906 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.607 9.118 11.990 1.00 0.00 H new ATOM 0 HG SER A 88 1.826 7.556 9.690 1.00 0.00 H new ATOM 1371 N SER A 89 3.484 11.971 10.147 1.00 0.00 N ATOM 1372 CA SER A 89 4.273 13.115 10.547 1.00 0.00 C ATOM 1373 C SER A 89 3.475 14.388 10.232 1.00 0.00 C ATOM 1374 O SER A 89 2.792 14.449 9.206 1.00 0.00 O ATOM 1375 CB SER A 89 5.618 13.125 9.802 1.00 0.00 C ATOM 1376 OG SER A 89 6.277 11.847 9.898 1.00 0.00 O ATOM 0 H SER A 89 3.781 11.532 9.275 1.00 0.00 H new ATOM 0 HA SER A 89 4.484 13.066 11.615 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.454 13.375 8.754 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.261 13.901 10.218 1.00 0.00 H new ATOM 0 HG SER A 89 5.747 11.170 9.428 1.00 0.00 H new ATOM 1382 N TYR A 90 3.558 15.394 11.117 1.00 0.00 N ATOM 1383 CA TYR A 90 2.841 16.675 10.938 1.00 0.00 C ATOM 1384 C TYR A 90 2.939 17.187 9.496 1.00 0.00 C ATOM 1385 O TYR A 90 1.964 17.739 8.957 1.00 0.00 O ATOM 1386 CB TYR A 90 3.354 17.729 11.921 1.00 0.00 C ATOM 1387 CG TYR A 90 2.572 17.769 13.213 1.00 0.00 C ATOM 1388 CD1 TYR A 90 1.377 18.469 13.299 1.00 0.00 C ATOM 1389 CD2 TYR A 90 3.021 17.103 14.343 1.00 0.00 C ATOM 1390 CE1 TYR A 90 0.657 18.507 14.468 1.00 0.00 C ATOM 1391 CE2 TYR A 90 2.303 17.135 15.517 1.00 0.00 C ATOM 1392 CZ TYR A 90 1.120 17.840 15.575 1.00 0.00 C ATOM 1393 OH TYR A 90 0.402 17.880 16.744 1.00 0.00 O ATOM 0 H TYR A 90 4.117 15.348 11.969 1.00 0.00 H new ATOM 0 HA TYR A 90 1.788 16.488 11.149 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.402 17.529 12.144 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.311 18.710 11.447 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.006 18.994 12.431 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.948 16.551 14.302 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.270 19.059 14.516 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.665 16.610 16.389 1.00 0.00 H new ATOM 0 HH TYR A 90 0.865 17.356 17.431 1.00 0.00 H new ATOM 1403 N GLY A 91 4.089 16.937 8.864 1.00 0.00 N ATOM 1404 CA GLY A 91 4.283 17.258 7.472 1.00 0.00 C ATOM 1405 C GLY A 91 5.001 16.130 6.764 1.00 0.00 C ATOM 1406 O GLY A 91 5.846 15.453 7.377 1.00 0.00 O ATOM 0 H GLY A 91 4.899 16.509 9.311 1.00 0.00 H new ATOM 0 HA2 GLY A 91 3.319 17.439 6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 91 4.860 18.178 7.382 1.00 0.00 H new ATOM 1410 N ILE A 92 4.634 15.877 5.511 1.00 0.00 N ATOM 1411 CA ILE A 92 5.205 14.766 4.746 1.00 0.00 C ATOM 1412 C ILE A 92 6.727 14.843 4.670 1.00 0.00 C ATOM 1413 O ILE A 92 7.291 15.854 4.204 1.00 0.00 O ATOM 1414 CB ILE A 92 4.623 14.672 3.310 1.00 0.00 C ATOM 1415 CG1 ILE A 92 3.099 14.757 3.335 1.00 0.00 C ATOM 1416 CG2 ILE A 92 5.049 13.367 2.643 1.00 0.00 C ATOM 1417 CD1 ILE A 92 2.437 13.767 4.273 1.00 0.00 C ATOM 0 H ILE A 92 3.942 16.426 5.000 1.00 0.00 H new ATOM 0 HA ILE A 92 4.925 13.865 5.291 1.00 0.00 H new ATOM 0 HB ILE A 92 5.014 15.512 2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.807 15.766 3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.721 14.593 2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.631 13.319 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.137 13.325 2.587 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.683 12.523 3.228 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.355 13.894 4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.696 12.752 3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.784 13.943 5.291 1.00 0.00 H new ATOM 1429 N ASN A 93 7.381 13.759 5.068 1.00 0.00 N ATOM 1430 CA ASN A 93 8.844 13.668 5.007 1.00 0.00 C ATOM 1431 C ASN A 93 9.256 13.269 3.612 1.00 0.00 C ATOM 1432 O ASN A 93 8.919 12.172 3.154 1.00 0.00 O ATOM 1433 CB ASN A 93 9.386 12.638 6.018 1.00 0.00 C ATOM 1434 CG ASN A 93 8.635 12.636 7.333 1.00 0.00 C ATOM 1435 OD1 ASN A 93 8.487 13.675 7.966 1.00 0.00 O ATOM 1436 ND2 ASN A 93 8.147 11.486 7.750 1.00 0.00 N ATOM 0 H ASN A 93 6.925 12.925 5.438 1.00 0.00 H new ATOM 0 HA ASN A 93 9.261 14.642 5.262 1.00 0.00 H new ATOM 0 HB2 ASN A 93 9.333 11.643 5.576 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.439 12.846 6.209 1.00 0.00 H new ATOM 0 HD21 ASN A 93 7.626 11.440 8.626 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.290 10.641 7.197 1.00 0.00 H new ATOM 1443 N ASP A 94 9.944 14.174 2.917 1.00 0.00 N ATOM 1444 CA ASP A 94 10.350 13.948 1.522 1.00 0.00 C ATOM 1445 C ASP A 94 11.224 12.709 1.331 1.00 0.00 C ATOM 1446 O ASP A 94 10.939 11.904 0.457 1.00 0.00 O ATOM 1447 CB ASP A 94 11.028 15.179 0.916 1.00 0.00 C ATOM 1448 CG ASP A 94 10.267 15.695 -0.258 1.00 0.00 C ATOM 1449 OD1 ASP A 94 10.398 15.130 -1.337 1.00 0.00 O ATOM 1450 OD2 ASP A 94 9.527 16.659 -0.100 1.00 0.00 O ATOM 0 H ASP A 94 10.235 15.075 3.295 1.00 0.00 H new ATOM 0 HA ASP A 94 9.420 13.763 0.984 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.109 15.961 1.671 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.043 14.924 0.611 1.00 0.00 H new ATOM 1455 N PRO A 95 12.315 12.533 2.137 1.00 0.00 N ATOM 1456 CA PRO A 95 13.216 11.366 2.005 1.00 0.00 C ATOM 1457 C PRO A 95 12.430 10.051 2.005 1.00 0.00 C ATOM 1458 O PRO A 95 12.490 9.274 1.043 1.00 0.00 O ATOM 1459 CB PRO A 95 14.114 11.468 3.244 1.00 0.00 C ATOM 1460 CG PRO A 95 14.104 12.914 3.606 1.00 0.00 C ATOM 1461 CD PRO A 95 12.752 13.442 3.220 1.00 0.00 C ATOM 0 HA PRO A 95 13.775 11.370 1.069 1.00 0.00 H new ATOM 0 HB2 PRO A 95 13.733 10.854 4.060 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.125 11.121 3.029 1.00 0.00 H new ATOM 0 HG2 PRO A 95 14.282 13.048 4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 95 14.894 13.451 3.081 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.060 13.423 4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.809 14.475 2.877 1.00 0.00 H new ATOM 1469 N GLU A 96 11.639 9.846 3.056 1.00 0.00 N ATOM 1470 CA GLU A 96 10.775 8.696 3.167 1.00 0.00 C ATOM 1471 C GLU A 96 9.756 8.702 2.016 1.00 0.00 C ATOM 1472 O GLU A 96 9.529 7.684 1.379 1.00 0.00 O ATOM 1473 CB GLU A 96 10.058 8.718 4.524 1.00 0.00 C ATOM 1474 CG GLU A 96 10.992 8.695 5.742 1.00 0.00 C ATOM 1475 CD GLU A 96 11.268 10.053 6.305 1.00 0.00 C ATOM 1476 OE1 GLU A 96 11.908 10.861 5.621 1.00 0.00 O ATOM 1477 OE2 GLU A 96 10.874 10.310 7.436 1.00 0.00 O ATOM 0 H GLU A 96 11.587 10.481 3.852 1.00 0.00 H new ATOM 0 HA GLU A 96 11.369 7.784 3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.436 9.612 4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.388 7.860 4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.549 8.071 6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.936 8.229 5.458 1.00 0.00 H new ATOM 1484 N LEU A 97 9.174 9.876 1.744 1.00 0.00 N ATOM 1485 CA LEU A 97 8.204 10.035 0.658 1.00 0.00 C ATOM 1486 C LEU A 97 8.778 9.558 -0.678 1.00 0.00 C ATOM 1487 O LEU A 97 8.115 8.828 -1.405 1.00 0.00 O ATOM 1488 CB LEU A 97 7.732 11.493 0.561 1.00 0.00 C ATOM 1489 CG LEU A 97 7.053 11.910 -0.741 1.00 0.00 C ATOM 1490 CD1 LEU A 97 5.627 11.395 -0.800 1.00 0.00 C ATOM 1491 CD2 LEU A 97 7.080 13.409 -0.875 1.00 0.00 C ATOM 0 H LEU A 97 9.360 10.733 2.265 1.00 0.00 H new ATOM 0 HA LEU A 97 7.341 9.410 0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.039 11.681 1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.595 12.141 0.717 1.00 0.00 H new ATOM 0 HG LEU A 97 7.601 11.470 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.166 11.706 -1.738 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.630 10.307 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.058 11.802 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.594 13.700 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.552 13.859 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.114 13.755 -0.882 1.00 0.00 H new ATOM 1503 N GLN A 98 9.996 9.976 -1.007 1.00 0.00 N ATOM 1504 CA GLN A 98 10.626 9.551 -2.257 1.00 0.00 C ATOM 1505 C GLN A 98 10.782 8.036 -2.284 1.00 0.00 C ATOM 1506 O GLN A 98 10.408 7.386 -3.270 1.00 0.00 O ATOM 1507 CB GLN A 98 11.957 10.267 -2.474 1.00 0.00 C ATOM 1508 CG GLN A 98 11.813 11.775 -2.597 1.00 0.00 C ATOM 1509 CD GLN A 98 10.666 12.166 -3.462 1.00 0.00 C ATOM 1510 OE1 GLN A 98 10.615 11.822 -4.640 1.00 0.00 O ATOM 1511 NE2 GLN A 98 9.752 12.875 -2.919 1.00 0.00 N ATOM 0 H GLN A 98 10.563 10.601 -0.435 1.00 0.00 H new ATOM 0 HA GLN A 98 9.977 9.832 -3.086 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.624 10.039 -1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.428 9.879 -3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 98 11.680 12.207 -1.605 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.733 12.193 -3.006 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.829 13.141 -1.937 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.946 13.174 -3.467 1.00 0.00 H new ATOM 1520 N ARG A 99 11.197 7.461 -1.149 1.00 0.00 N ATOM 1521 CA ARG A 99 11.244 6.006 -1.009 1.00 0.00 C ATOM 1522 C ARG A 99 9.837 5.439 -1.230 1.00 0.00 C ATOM 1523 O ARG A 99 9.650 4.536 -2.038 1.00 0.00 O ATOM 1524 CB ARG A 99 11.761 5.607 0.378 1.00 0.00 C ATOM 1525 CG ARG A 99 12.828 4.518 0.352 1.00 0.00 C ATOM 1526 CD ARG A 99 14.096 4.921 1.119 1.00 0.00 C ATOM 1527 NE ARG A 99 13.827 5.811 2.272 1.00 0.00 N ATOM 1528 CZ ARG A 99 13.191 5.439 3.412 1.00 0.00 C ATOM 1529 NH1 ARG A 99 12.745 4.180 3.559 1.00 0.00 N ATOM 1530 NH2 ARG A 99 13.019 6.324 4.396 1.00 0.00 N ATOM 0 H ARG A 99 11.502 7.977 -0.324 1.00 0.00 H new ATOM 0 HA ARG A 99 11.929 5.598 -1.752 1.00 0.00 H new ATOM 0 HB2 ARG A 99 12.169 6.490 0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.921 5.264 0.983 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.421 3.604 0.784 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.088 4.293 -0.682 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.599 4.021 1.473 1.00 0.00 H new ATOM 0 HD3 ARG A 99 14.782 5.421 0.435 1.00 0.00 H new ATOM 0 HE ARG A 99 14.144 6.778 2.204 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.884 3.499 2.812 1.00 0.00 H new ATOM 0 HH12 ARG A 99 12.268 3.905 4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 99 13.365 7.278 4.290 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.541 6.047 5.254 1.00 0.00 H new ATOM 1544 N TRP A 100 8.847 6.060 -0.574 1.00 0.00 N ATOM 1545 CA TRP A 100 7.429 5.704 -0.728 1.00 0.00 C ATOM 1546 C TRP A 100 7.061 5.690 -2.203 1.00 0.00 C ATOM 1547 O TRP A 100 6.472 4.728 -2.697 1.00 0.00 O ATOM 1548 CB TRP A 100 6.551 6.727 0.019 1.00 0.00 C ATOM 1549 CG TRP A 100 5.078 6.470 -0.041 1.00 0.00 C ATOM 1550 CD1 TRP A 100 4.377 5.624 0.741 1.00 0.00 C ATOM 1551 CD2 TRP A 100 4.129 7.080 -0.928 1.00 0.00 C ATOM 1552 NE1 TRP A 100 3.053 5.674 0.422 1.00 0.00 N ATOM 1553 CE2 TRP A 100 2.869 6.551 -0.606 1.00 0.00 C ATOM 1554 CE3 TRP A 100 4.222 8.021 -1.958 1.00 0.00 C ATOM 1555 CZ2 TRP A 100 1.707 6.927 -1.275 1.00 0.00 C ATOM 1556 CZ3 TRP A 100 3.067 8.396 -2.625 1.00 0.00 C ATOM 1557 CH2 TRP A 100 1.824 7.846 -2.279 1.00 0.00 C ATOM 0 H TRP A 100 9.007 6.826 0.080 1.00 0.00 H new ATOM 0 HA TRP A 100 7.260 4.713 -0.307 1.00 0.00 H new ATOM 0 HB2 TRP A 100 6.857 6.749 1.065 1.00 0.00 H new ATOM 0 HB3 TRP A 100 6.747 7.718 -0.391 1.00 0.00 H new ATOM 0 HD1 TRP A 100 4.804 4.997 1.510 1.00 0.00 H new ATOM 0 HE1 TRP A 100 2.315 5.139 0.880 1.00 0.00 H new ATOM 0 HE3 TRP A 100 5.177 8.448 -2.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 0.748 6.507 -1.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 3.125 9.122 -3.423 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.941 8.156 -2.818 1.00 0.00 H new ATOM 1568 N GLN A 101 7.434 6.765 -2.908 1.00 0.00 N ATOM 1569 CA GLN A 101 7.173 6.895 -4.341 1.00 0.00 C ATOM 1570 C GLN A 101 7.736 5.703 -5.118 1.00 0.00 C ATOM 1571 O GLN A 101 7.065 5.185 -6.030 1.00 0.00 O ATOM 1572 CB GLN A 101 7.728 8.213 -4.877 1.00 0.00 C ATOM 1573 CG GLN A 101 7.290 9.416 -4.068 1.00 0.00 C ATOM 1574 CD GLN A 101 6.240 10.245 -4.755 1.00 0.00 C ATOM 1575 OE1 GLN A 101 5.622 9.824 -5.746 1.00 0.00 O ATOM 1576 NE2 GLN A 101 6.006 11.401 -4.238 1.00 0.00 N ATOM 0 H GLN A 101 7.922 7.563 -2.501 1.00 0.00 H new ATOM 0 HA GLN A 101 6.093 6.901 -4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.817 8.165 -4.885 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.407 8.342 -5.911 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.904 9.077 -3.107 1.00 0.00 H new ATOM 0 HG3 GLN A 101 8.158 10.041 -3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 101 6.535 11.712 -3.423 1.00 0.00 H new ATOM 0 HE22 GLN A 101 5.292 12.006 -4.643 1.00 0.00 H new ATOM 1585 N LYS A 102 8.924 5.234 -4.718 1.00 0.00 N ATOM 1586 CA LYS A 102 9.531 4.046 -5.316 1.00 0.00 C ATOM 1587 C LYS A 102 8.795 2.792 -4.842 1.00 0.00 C ATOM 1588 O LYS A 102 8.394 1.962 -5.647 1.00 0.00 O ATOM 1589 CB LYS A 102 11.007 3.933 -4.924 1.00 0.00 C ATOM 1590 CG LYS A 102 11.852 5.100 -5.294 1.00 0.00 C ATOM 1591 CD LYS A 102 13.147 5.048 -4.522 1.00 0.00 C ATOM 1592 CE LYS A 102 13.893 6.335 -4.656 1.00 0.00 C ATOM 1593 NZ LYS A 102 14.473 6.509 -6.018 1.00 0.00 N ATOM 0 H LYS A 102 9.483 5.663 -3.980 1.00 0.00 H new ATOM 0 HA LYS A 102 9.456 4.136 -6.400 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.070 3.787 -3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.423 3.041 -5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.054 5.091 -6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.324 6.028 -5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 102 12.942 4.849 -3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 102 13.762 4.226 -4.888 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.222 7.166 -4.439 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.692 6.369 -3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 14.981 7.415 -6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 15.133 5.730 -6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.709 6.503 -6.724 1.00 0.00 H new ATOM 1607 N THR A 103 8.636 2.661 -3.531 1.00 0.00 N ATOM 1608 CA THR A 103 7.969 1.511 -2.927 1.00 0.00 C ATOM 1609 C THR A 103 6.566 1.308 -3.509 1.00 0.00 C ATOM 1610 O THR A 103 6.216 0.187 -3.908 1.00 0.00 O ATOM 1611 CB THR A 103 7.921 1.669 -1.399 1.00 0.00 C ATOM 1612 OG1 THR A 103 9.171 2.120 -0.906 1.00 0.00 O ATOM 1613 CG2 THR A 103 7.589 0.399 -0.657 1.00 0.00 C ATOM 0 H THR A 103 8.966 3.349 -2.854 1.00 0.00 H new ATOM 0 HA THR A 103 8.547 0.617 -3.164 1.00 0.00 H new ATOM 0 HB THR A 103 7.123 2.390 -1.221 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.049 2.516 -0.018 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.575 0.597 0.415 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.610 0.039 -0.972 1.00 0.00 H new ATOM 0 HG23 THR A 103 8.342 -0.358 -0.877 1.00 0.00 H new ATOM 1621 N LYS A 104 5.780 2.389 -3.586 1.00 0.00 N ATOM 1622 CA LYS A 104 4.434 2.312 -4.144 1.00 0.00 C ATOM 1623 C LYS A 104 4.467 1.685 -5.540 1.00 0.00 C ATOM 1624 O LYS A 104 3.796 0.677 -5.790 1.00 0.00 O ATOM 1625 CB LYS A 104 3.737 3.707 -4.165 1.00 0.00 C ATOM 1626 CG LYS A 104 4.411 4.747 -5.055 1.00 0.00 C ATOM 1627 CD LYS A 104 3.608 6.043 -5.168 1.00 0.00 C ATOM 1628 CE LYS A 104 4.159 6.977 -6.278 1.00 0.00 C ATOM 1629 NZ LYS A 104 5.022 6.272 -7.283 1.00 0.00 N ATOM 0 H LYS A 104 6.055 3.319 -3.270 1.00 0.00 H new ATOM 0 HA LYS A 104 3.840 1.669 -3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.707 3.578 -4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.697 4.093 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.400 4.972 -4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.556 4.327 -6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.565 5.806 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.628 6.566 -4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.322 7.446 -6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.736 7.778 -5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 5.300 6.939 -8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 5.874 5.905 -6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.491 5.482 -7.703 1.00 0.00 H new ATOM 1643 N GLU A 105 5.306 2.240 -6.432 1.00 0.00 N ATOM 1644 CA GLU A 105 5.434 1.704 -7.783 1.00 0.00 C ATOM 1645 C GLU A 105 6.058 0.312 -7.758 1.00 0.00 C ATOM 1646 O GLU A 105 5.626 -0.581 -8.494 1.00 0.00 O ATOM 1647 CB GLU A 105 6.207 2.665 -8.709 1.00 0.00 C ATOM 1648 CG GLU A 105 7.632 2.993 -8.272 1.00 0.00 C ATOM 1649 CD GLU A 105 8.377 3.780 -9.292 1.00 0.00 C ATOM 1650 OE1 GLU A 105 8.095 4.964 -9.451 1.00 0.00 O ATOM 1651 OE2 GLU A 105 9.235 3.208 -9.962 1.00 0.00 O ATOM 0 H GLU A 105 5.896 3.049 -6.238 1.00 0.00 H new ATOM 0 HA GLU A 105 4.431 1.609 -8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.243 2.229 -9.708 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.646 3.596 -8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.602 3.553 -7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.169 2.066 -8.071 1.00 0.00 H new ATOM 1658 N ARG A 106 7.044 0.119 -6.869 1.00 0.00 N ATOM 1659 CA ARG A 106 7.697 -1.171 -6.682 1.00 0.00 C ATOM 1660 C ARG A 106 6.666 -2.287 -6.545 1.00 0.00 C ATOM 1661 O ARG A 106 6.790 -3.310 -7.195 1.00 0.00 O ATOM 1662 CB ARG A 106 8.601 -1.148 -5.451 1.00 0.00 C ATOM 1663 CG ARG A 106 10.063 -0.965 -5.753 1.00 0.00 C ATOM 1664 CD ARG A 106 10.875 -0.955 -4.473 1.00 0.00 C ATOM 1665 NE ARG A 106 10.784 -2.236 -3.750 1.00 0.00 N ATOM 1666 CZ ARG A 106 10.712 -2.371 -2.404 1.00 0.00 C ATOM 1667 NH1 ARG A 106 10.802 -1.291 -1.608 1.00 0.00 N ATOM 1668 NH2 ARG A 106 10.565 -3.587 -1.875 1.00 0.00 N ATOM 0 H ARG A 106 7.406 0.856 -6.264 1.00 0.00 H new ATOM 0 HA ARG A 106 8.308 -1.364 -7.564 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.276 -0.343 -4.792 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.470 -2.081 -4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 106 10.409 -1.769 -6.403 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.214 -0.030 -6.293 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.918 -0.745 -4.708 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.525 -0.149 -3.828 1.00 0.00 H new ATOM 0 HE ARG A 106 10.774 -3.090 -4.308 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.925 -0.365 -2.017 1.00 0.00 H new ATOM 0 HH12 ARG A 106 10.747 -1.398 -0.595 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.508 -4.404 -2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.510 -3.700 -0.863 1.00 0.00 H new ATOM 1682 N LEU A 107 5.607 -2.058 -5.748 1.00 0.00 N ATOM 1683 CA LEU A 107 4.529 -3.068 -5.590 1.00 0.00 C ATOM 1684 C LEU A 107 3.978 -3.502 -6.951 1.00 0.00 C ATOM 1685 O LEU A 107 3.651 -4.675 -7.169 1.00 0.00 O ATOM 1686 CB LEU A 107 3.375 -2.501 -4.759 1.00 0.00 C ATOM 1687 CG LEU A 107 3.413 -2.793 -3.262 1.00 0.00 C ATOM 1688 CD1 LEU A 107 4.217 -1.742 -2.532 1.00 0.00 C ATOM 1689 CD2 LEU A 107 2.008 -2.857 -2.714 1.00 0.00 C ATOM 0 H LEU A 107 5.469 -1.202 -5.210 1.00 0.00 H new ATOM 0 HA LEU A 107 4.965 -3.929 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.353 -1.420 -4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.440 -2.892 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 107 3.897 -3.757 -3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.231 -1.970 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.238 -1.734 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.763 -0.763 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.044 -3.066 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.509 -1.903 -2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.456 -3.649 -3.220 1.00 0.00 H new ATOM 1701 N PHE A 108 3.884 -2.554 -7.853 1.00 0.00 N ATOM 1702 CA PHE A 108 3.361 -2.787 -9.179 1.00 0.00 C ATOM 1703 C PHE A 108 4.331 -3.527 -10.062 1.00 0.00 C ATOM 1704 O PHE A 108 3.900 -4.204 -10.984 1.00 0.00 O ATOM 1705 CB PHE A 108 2.861 -1.498 -9.821 1.00 0.00 C ATOM 1706 CG PHE A 108 1.664 -0.947 -9.104 1.00 0.00 C ATOM 1707 CD1 PHE A 108 1.819 -0.077 -8.041 1.00 0.00 C ATOM 1708 CD2 PHE A 108 0.383 -1.312 -9.479 1.00 0.00 C ATOM 1709 CE1 PHE A 108 0.726 0.418 -7.370 1.00 0.00 C ATOM 1710 CE2 PHE A 108 -0.713 -0.818 -8.811 1.00 0.00 C ATOM 1711 CZ PHE A 108 -0.542 0.048 -7.755 1.00 0.00 C ATOM 0 H PHE A 108 4.171 -1.590 -7.686 1.00 0.00 H new ATOM 0 HA PHE A 108 2.498 -3.443 -9.065 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.660 -0.757 -9.818 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.605 -1.687 -10.864 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.812 0.218 -7.734 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.242 -1.993 -10.306 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.863 1.097 -6.541 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.708 -1.110 -9.115 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.402 0.436 -7.229 1.00 0.00 H new ATOM 1721 N ARG A 109 5.626 -3.523 -9.722 1.00 0.00 N ATOM 1722 CA ARG A 109 6.588 -4.367 -10.451 1.00 0.00 C ATOM 1723 C ARG A 109 6.104 -5.811 -10.338 1.00 0.00 C ATOM 1724 O ARG A 109 6.053 -6.549 -11.322 1.00 0.00 O ATOM 1725 CB ARG A 109 8.004 -4.268 -9.845 1.00 0.00 C ATOM 1726 CG ARG A 109 8.497 -2.854 -9.568 1.00 0.00 C ATOM 1727 CD ARG A 109 8.979 -2.174 -10.830 1.00 0.00 C ATOM 1728 NE ARG A 109 8.105 -1.068 -11.202 1.00 0.00 N ATOM 1729 CZ ARG A 109 8.293 0.216 -10.856 1.00 0.00 C ATOM 1730 NH1 ARG A 109 9.348 0.569 -10.115 1.00 0.00 N ATOM 1731 NH2 ARG A 109 7.424 1.136 -11.241 1.00 0.00 N ATOM 0 H ARG A 109 6.026 -2.963 -8.969 1.00 0.00 H new ATOM 0 HA ARG A 109 6.645 -4.035 -11.488 1.00 0.00 H new ATOM 0 HB2 ARG A 109 8.022 -4.830 -8.911 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.706 -4.753 -10.523 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.692 -2.268 -9.123 1.00 0.00 H new ATOM 0 HG3 ARG A 109 9.307 -2.887 -8.840 1.00 0.00 H new ATOM 0 HD2 ARG A 109 9.994 -1.805 -10.682 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.019 -2.898 -11.644 1.00 0.00 H new ATOM 0 HE ARG A 109 7.286 -1.287 -11.770 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.016 -0.139 -9.809 1.00 0.00 H new ATOM 0 HH12 ARG A 109 9.485 1.546 -9.856 1.00 0.00 H new ATOM 0 HH21 ARG A 109 6.613 0.870 -11.799 1.00 0.00 H new ATOM 0 HH22 ARG A 109 7.565 2.112 -10.979 1.00 0.00 H new ATOM 1745 N LEU A 110 5.677 -6.162 -9.118 1.00 0.00 N ATOM 1746 CA LEU A 110 5.144 -7.424 -8.788 1.00 0.00 C ATOM 1747 C LEU A 110 3.782 -7.630 -9.461 1.00 0.00 C ATOM 1748 O LEU A 110 3.551 -8.654 -10.127 1.00 0.00 O ATOM 1749 CB LEU A 110 5.045 -7.501 -7.267 1.00 0.00 C ATOM 1750 CG LEU A 110 6.398 -7.411 -6.519 1.00 0.00 C ATOM 1751 CD1 LEU A 110 6.943 -6.011 -6.481 1.00 0.00 C ATOM 1752 CD2 LEU A 110 6.345 -7.994 -5.130 1.00 0.00 C ATOM 0 H LEU A 110 5.709 -5.523 -8.323 1.00 0.00 H new ATOM 0 HA LEU A 110 5.790 -8.223 -9.152 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.400 -6.695 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.559 -8.438 -6.996 1.00 0.00 H new ATOM 0 HG LEU A 110 7.085 -8.023 -7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.892 -6.004 -5.945 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.098 -5.653 -7.499 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.234 -5.358 -5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.323 -7.901 -4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.604 -7.457 -4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.069 -9.047 -5.188 1.00 0.00 H new ATOM 1764 N PHE A 111 2.888 -6.637 -9.308 1.00 0.00 N ATOM 1765 CA PHE A 111 1.549 -6.689 -9.930 1.00 0.00 C ATOM 1766 C PHE A 111 1.632 -6.801 -11.466 1.00 0.00 C ATOM 1767 O PHE A 111 0.748 -7.383 -12.085 1.00 0.00 O ATOM 1768 CB PHE A 111 0.696 -5.454 -9.554 1.00 0.00 C ATOM 1769 CG PHE A 111 0.239 -5.404 -8.107 1.00 0.00 C ATOM 1770 CD1 PHE A 111 -0.372 -6.499 -7.510 1.00 0.00 C ATOM 1771 CD2 PHE A 111 0.411 -4.254 -7.349 1.00 0.00 C ATOM 1772 CE1 PHE A 111 -0.794 -6.448 -6.194 1.00 0.00 C ATOM 1773 CE2 PHE A 111 -0.011 -4.199 -6.035 1.00 0.00 C ATOM 1774 CZ PHE A 111 -0.615 -5.296 -5.458 1.00 0.00 C ATOM 0 H PHE A 111 3.065 -5.793 -8.763 1.00 0.00 H new ATOM 0 HA PHE A 111 1.067 -7.585 -9.539 1.00 0.00 H new ATOM 0 HB2 PHE A 111 1.273 -4.554 -9.768 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.183 -5.429 -10.198 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -0.520 -7.403 -8.082 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.882 -3.389 -7.793 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.263 -7.310 -5.743 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.132 -3.296 -5.459 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.947 -5.253 -4.431 1.00 0.00 H new ATOM 1784 N SER A 112 2.667 -6.210 -12.071 1.00 0.00 N ATOM 1785 CA SER A 112 2.827 -6.185 -13.541 1.00 0.00 C ATOM 1786 C SER A 112 3.282 -7.529 -14.172 1.00 0.00 C ATOM 1787 O SER A 112 3.671 -7.546 -15.349 1.00 0.00 O ATOM 1788 CB SER A 112 3.743 -5.025 -13.992 1.00 0.00 C ATOM 1789 OG SER A 112 3.376 -3.786 -13.358 1.00 0.00 O ATOM 0 H SER A 112 3.416 -5.737 -11.566 1.00 0.00 H new ATOM 0 HA SER A 112 1.821 -6.015 -13.924 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.779 -5.264 -13.753 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.683 -4.913 -15.075 1.00 0.00 H new ATOM 0 HG SER A 112 3.759 -3.754 -12.457 1.00 0.00 H new ATOM 1795 N GLY A 113 3.187 -8.649 -13.440 1.00 0.00 N ATOM 1796 CA GLY A 113 3.538 -9.934 -14.045 1.00 0.00 C ATOM 1797 C GLY A 113 4.521 -10.790 -13.271 1.00 0.00 C ATOM 1798 O GLY A 113 5.078 -11.742 -13.846 1.00 0.00 O ATOM 0 H GLY A 113 2.882 -8.690 -12.467 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.622 -10.507 -14.188 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.953 -9.745 -15.035 1.00 0.00 H new ATOM 1802 N GLU A 114 4.670 -10.565 -11.960 1.00 0.00 N ATOM 1803 CA GLU A 114 5.495 -11.457 -11.149 1.00 0.00 C ATOM 1804 C GLU A 114 4.578 -12.525 -10.507 1.00 0.00 C ATOM 1805 O GLU A 114 3.538 -12.894 -11.085 1.00 0.00 O ATOM 1806 CB GLU A 114 6.260 -10.678 -10.051 1.00 0.00 C ATOM 1807 CG GLU A 114 7.057 -9.485 -10.549 1.00 0.00 C ATOM 1808 CD GLU A 114 8.336 -9.874 -11.211 1.00 0.00 C ATOM 1809 OE1 GLU A 114 8.320 -10.086 -12.425 1.00 0.00 O ATOM 1810 OE2 GLU A 114 9.363 -9.961 -10.519 1.00 0.00 O ATOM 0 H GLU A 114 4.241 -9.792 -11.452 1.00 0.00 H new ATOM 0 HA GLU A 114 6.240 -11.932 -11.788 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.544 -10.332 -9.306 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.939 -11.365 -9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.448 -8.917 -11.252 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.275 -8.825 -9.710 1.00 0.00 H new ATOM 1817 N TYR A 115 4.924 -12.962 -9.290 1.00 0.00 N ATOM 1818 CA TYR A 115 4.129 -13.932 -8.503 1.00 0.00 C ATOM 1819 C TYR A 115 2.619 -13.565 -8.477 1.00 0.00 C ATOM 1820 O TYR A 115 1.760 -14.445 -8.330 1.00 0.00 O ATOM 1821 CB TYR A 115 4.666 -14.095 -7.030 1.00 0.00 C ATOM 1822 CG TYR A 115 5.825 -13.176 -6.691 1.00 0.00 C ATOM 1823 CD1 TYR A 115 5.621 -11.814 -6.539 1.00 0.00 C ATOM 1824 CD2 TYR A 115 7.124 -13.655 -6.610 1.00 0.00 C ATOM 1825 CE1 TYR A 115 6.667 -10.962 -6.318 1.00 0.00 C ATOM 1826 CE2 TYR A 115 8.183 -12.805 -6.370 1.00 0.00 C ATOM 1827 CZ TYR A 115 7.948 -11.454 -6.231 1.00 0.00 C ATOM 1828 OH TYR A 115 8.996 -10.587 -6.026 1.00 0.00 O ATOM 0 H TYR A 115 5.771 -12.653 -8.813 1.00 0.00 H new ATOM 0 HA TYR A 115 4.243 -14.889 -9.013 1.00 0.00 H new ATOM 0 HB2 TYR A 115 3.849 -13.905 -6.333 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.979 -15.128 -6.880 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.618 -11.418 -6.596 1.00 0.00 H new ATOM 0 HD2 TYR A 115 7.309 -14.711 -6.737 1.00 0.00 H new ATOM 0 HE1 TYR A 115 6.487 -9.902 -6.212 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.187 -13.194 -6.292 1.00 0.00 H new ATOM 0 HH TYR A 115 9.649 -11.000 -5.423 1.00 0.00 H new ATOM 1838 N ILE A 116 2.300 -12.268 -8.640 1.00 0.00 N ATOM 1839 CA ILE A 116 0.913 -11.805 -8.667 1.00 0.00 C ATOM 1840 C ILE A 116 0.103 -12.536 -9.760 1.00 0.00 C ATOM 1841 O ILE A 116 -1.051 -12.898 -9.532 1.00 0.00 O ATOM 1842 CB ILE A 116 0.821 -10.255 -8.864 1.00 0.00 C ATOM 1843 CG1 ILE A 116 1.657 -9.526 -7.803 1.00 0.00 C ATOM 1844 CG2 ILE A 116 -0.625 -9.778 -8.787 1.00 0.00 C ATOM 1845 CD1 ILE A 116 1.176 -9.764 -6.390 1.00 0.00 C ATOM 0 H ILE A 116 2.990 -11.526 -8.755 1.00 0.00 H new ATOM 0 HA ILE A 116 0.478 -12.044 -7.696 1.00 0.00 H new ATOM 0 HB ILE A 116 1.215 -10.024 -9.854 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.695 -9.849 -7.884 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.639 -8.456 -8.009 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.660 -8.698 -8.927 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.211 -10.264 -9.567 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.040 -10.031 -7.811 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.812 -9.219 -5.692 1.00 0.00 H new ATOM 0 HD12 ILE A 116 0.148 -9.415 -6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.221 -10.830 -6.165 1.00 0.00 H new ATOM 1857 N SER A 117 0.723 -12.787 -10.915 1.00 0.00 N ATOM 1858 CA SER A 117 0.063 -13.514 -12.012 1.00 0.00 C ATOM 1859 C SER A 117 -0.532 -14.851 -11.523 1.00 0.00 C ATOM 1860 O SER A 117 -1.673 -15.194 -11.867 1.00 0.00 O ATOM 1861 CB SER A 117 1.028 -13.733 -13.163 1.00 0.00 C ATOM 1862 OG SER A 117 2.016 -12.679 -13.216 1.00 0.00 O ATOM 0 H SER A 117 1.680 -12.500 -11.119 1.00 0.00 H new ATOM 0 HA SER A 117 -0.764 -12.902 -12.372 1.00 0.00 H new ATOM 0 HB2 SER A 117 1.524 -14.697 -13.048 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.477 -13.768 -14.103 1.00 0.00 H new ATOM 0 HG SER A 117 2.799 -12.938 -12.686 1.00 0.00 H new ATOM 1868 N THR A 118 0.203 -15.553 -10.654 1.00 0.00 N ATOM 1869 CA THR A 118 -0.297 -16.779 -10.028 1.00 0.00 C ATOM 1870 C THR A 118 -1.274 -16.420 -8.902 1.00 0.00 C ATOM 1871 O THR A 118 -2.350 -17.036 -8.769 1.00 0.00 O ATOM 1872 CB THR A 118 0.860 -17.618 -9.494 1.00 0.00 C ATOM 1873 OG1 THR A 118 2.013 -16.815 -9.257 1.00 0.00 O ATOM 1874 CG2 THR A 118 1.271 -18.714 -10.438 1.00 0.00 C ATOM 0 H THR A 118 1.147 -15.292 -10.369 1.00 0.00 H new ATOM 0 HA THR A 118 -0.823 -17.372 -10.776 1.00 0.00 H new ATOM 0 HB THR A 118 0.490 -18.057 -8.568 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.810 -16.146 -8.570 1.00 0.00 H new ATOM 0 HG21 THR A 118 2.098 -19.277 -10.004 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.427 -19.382 -10.609 1.00 0.00 H new ATOM 0 HG23 THR A 118 1.587 -18.278 -11.386 1.00 0.00 H new ATOM 1882 N LEU A 119 -0.932 -15.359 -8.142 1.00 0.00 N ATOM 1883 CA LEU A 119 -1.804 -14.831 -7.082 1.00 0.00 C ATOM 1884 C LEU A 119 -3.226 -14.669 -7.622 1.00 0.00 C ATOM 1885 O LEU A 119 -4.190 -15.130 -6.997 1.00 0.00 O ATOM 1886 CB LEU A 119 -1.277 -13.470 -6.572 1.00 0.00 C ATOM 1887 CG LEU A 119 -1.832 -12.978 -5.227 1.00 0.00 C ATOM 1888 CD1 LEU A 119 -1.072 -13.598 -4.080 1.00 0.00 C ATOM 1889 CD2 LEU A 119 -1.765 -11.460 -5.133 1.00 0.00 C ATOM 0 H LEU A 119 -0.053 -14.852 -8.247 1.00 0.00 H new ATOM 0 HA LEU A 119 -1.809 -15.534 -6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.192 -13.534 -6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.496 -12.715 -7.327 1.00 0.00 H new ATOM 0 HG LEU A 119 -2.876 -13.284 -5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.480 -13.237 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -1.167 -14.683 -4.125 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -0.020 -13.322 -4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -2.164 -11.137 -4.171 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -0.728 -11.135 -5.223 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -2.355 -11.019 -5.937 1.00 0.00 H new ATOM 1901 N MET A 120 -3.335 -14.068 -8.808 1.00 0.00 N ATOM 1902 CA MET A 120 -4.625 -13.880 -9.480 1.00 0.00 C ATOM 1903 C MET A 120 -4.801 -14.853 -10.664 1.00 0.00 C ATOM 1904 O MET A 120 -5.419 -14.493 -11.683 1.00 0.00 O ATOM 1905 CB MET A 120 -4.795 -12.416 -9.961 1.00 0.00 C ATOM 1906 CG MET A 120 -3.583 -11.824 -10.681 1.00 0.00 C ATOM 1907 SD MET A 120 -4.049 -10.750 -12.044 1.00 0.00 S ATOM 1908 CE MET A 120 -4.173 -9.192 -11.186 1.00 0.00 C ATOM 0 H MET A 120 -2.539 -13.700 -9.328 1.00 0.00 H new ATOM 0 HA MET A 120 -5.401 -14.099 -8.747 1.00 0.00 H new ATOM 0 HB2 MET A 120 -5.655 -12.367 -10.630 1.00 0.00 H new ATOM 0 HB3 MET A 120 -5.026 -11.791 -9.098 1.00 0.00 H new ATOM 0 HG2 MET A 120 -2.981 -11.261 -9.968 1.00 0.00 H new ATOM 0 HG3 MET A 120 -2.957 -12.633 -11.058 1.00 0.00 H new ATOM 0 HE1 MET A 120 -4.456 -8.410 -11.891 1.00 0.00 H new ATOM 0 HE2 MET A 120 -4.928 -9.267 -10.404 1.00 0.00 H new ATOM 0 HE3 MET A 120 -3.210 -8.946 -10.738 1.00 0.00 H new ATOM 1918 N LYS A 121 -4.274 -16.082 -10.541 1.00 0.00 N ATOM 1919 CA LYS A 121 -4.408 -17.073 -11.620 1.00 0.00 C ATOM 1920 C LYS A 121 -5.876 -17.405 -11.863 1.00 0.00 C ATOM 1921 O LYS A 121 -6.332 -17.403 -13.004 1.00 0.00 O ATOM 1922 CB LYS A 121 -3.621 -18.355 -11.317 1.00 0.00 C ATOM 1923 CG LYS A 121 -3.062 -19.056 -12.552 1.00 0.00 C ATOM 1924 CD LYS A 121 -3.003 -20.557 -12.361 1.00 0.00 C ATOM 1925 CE LYS A 121 -1.755 -21.130 -13.003 1.00 0.00 C ATOM 1926 NZ LYS A 121 -1.863 -21.234 -14.479 1.00 0.00 N ATOM 0 H LYS A 121 -3.761 -16.409 -9.722 1.00 0.00 H new ATOM 0 HA LYS A 121 -3.988 -16.629 -12.523 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -2.796 -18.111 -10.648 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -4.271 -19.048 -10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -3.684 -18.823 -13.416 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -2.063 -18.676 -12.766 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -3.012 -20.794 -11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -3.888 -21.019 -12.798 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -0.901 -20.502 -12.749 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -1.559 -22.118 -12.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -0.983 -21.631 -14.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -2.660 -21.855 -14.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -2.022 -20.289 -14.883 1.00 0.00 H new ATOM 1940 N THR A 122 -6.599 -17.711 -10.789 1.00 0.00 N ATOM 1941 CA THR A 122 -7.997 -18.066 -10.868 1.00 0.00 C ATOM 1942 C THR A 122 -8.890 -16.814 -10.902 1.00 0.00 C ATOM 1943 O THR A 122 -8.801 -15.983 -9.980 1.00 0.00 O ATOM 1944 CB THR A 122 -8.374 -19.021 -9.703 1.00 0.00 C ATOM 1945 OG1 THR A 122 -9.771 -19.308 -9.668 1.00 0.00 O ATOM 1946 CG2 THR A 122 -7.980 -18.508 -8.329 1.00 0.00 C ATOM 1947 OXT THR A 122 -9.672 -16.672 -11.844 1.00 0.00 O ATOM 0 H THR A 122 -6.223 -17.717 -9.841 1.00 0.00 H new ATOM 0 HA THR A 122 -8.170 -18.598 -11.804 1.00 0.00 H new ATOM 0 HB THR A 122 -7.801 -19.923 -9.918 1.00 0.00 H new ATOM 0 HG1 THR A 122 -9.962 -19.913 -8.921 1.00 0.00 H new ATOM 0 HG21 THR A 122 -8.278 -19.232 -7.571 1.00 0.00 H new ATOM 0 HG22 THR A 122 -6.900 -18.365 -8.290 1.00 0.00 H new ATOM 0 HG23 THR A 122 -8.479 -17.558 -8.139 1.00 0.00 H new TER 1955 THR A 122