USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 864 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 11 ASN : amide:sc= -0.444 X(o=-3.6,f=-3.9!) USER MOD Set 1.2: A 13 ASN : amide:sc= -3.17 X(o=-3.6,f=-3.9) USER MOD Single : A 1 MET CE :methyl 167:sc= 0 (180deg=-0.323) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.0344 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 0.0438 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.62) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.0658) USER MOD Single : A 15 CYS SG : rot 62:sc= 0.0293 USER MOD Single : A 20 SER OG : rot 92:sc= 0.317 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HE2:sc= 0.135 K(o=0.13,f=-2.3) USER MOD Single : A 33 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.077) USER MOD Single : A 36 SER OG : rot 170:sc= -0.532 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0.0529 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -170:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 72 GLN : amide:sc= -0.477 K(o=-0.48,f=-2.5!) USER MOD Single : A 73 ASN : amide:sc= -0.188 K(o=-0.19,f=-1) USER MOD Single : A 78 MET CE :methyl 136:sc= -0.773 (180deg=-5.54!) USER MOD Single : A 80 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 81 ASN : amide:sc= -1.39 K(o=-1.4,f=-3.7!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.199 K(o=-0.2,f=-2!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 93 TYR OH : rot -80:sc= 0.685 USER MOD Single : A 94 GLN : amide:sc= -0.0523 K(o=-0.052,f=-0.62) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 84:sc= 0.169 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.871 USER MOD Single : A 103 TYR OH : rot 98:sc= 1.25 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.089 0.897 -4.165 1.00 41.00 N ATOM 2 CA MET A 1 6.995 -0.246 -4.186 1.00 51.33 C ATOM 3 C MET A 1 6.435 -1.399 -3.359 1.00 50.33 C ATOM 4 O MET A 1 5.725 -1.183 -2.377 1.00 42.00 O ATOM 5 CB MET A 1 8.371 0.158 -3.654 1.00 65.52 C ATOM 6 CG MET A 1 9.212 0.925 -4.662 1.00 73.10 C ATOM 7 SD MET A 1 10.215 2.211 -3.894 1.00 13.41 S ATOM 8 CE MET A 1 11.061 1.270 -2.627 1.00 60.40 C ATOM 0 H1 MET A 1 6.641 1.778 -4.175 1.00 41.00 H new ATOM 0 H2 MET A 1 5.472 0.866 -5.001 1.00 41.00 H new ATOM 0 H3 MET A 1 5.507 0.863 -3.304 1.00 41.00 H new ATOM 0 HA MET A 1 7.096 -0.579 -5.219 1.00 51.33 H new ATOM 0 HB2 MET A 1 8.241 0.770 -2.761 1.00 65.52 H new ATOM 0 HB3 MET A 1 8.911 -0.738 -3.350 1.00 65.52 H new ATOM 0 HG2 MET A 1 9.863 0.229 -5.191 1.00 73.10 H new ATOM 0 HG3 MET A 1 8.557 1.377 -5.407 1.00 73.10 H new ATOM 0 HE1 MET A 1 11.880 1.862 -2.220 1.00 60.40 H new ATOM 0 HE2 MET A 1 10.361 1.023 -1.829 1.00 60.40 H new ATOM 0 HE3 MET A 1 11.457 0.351 -3.060 1.00 60.40 H new ATOM 18 N SER A 2 6.759 -2.623 -3.764 1.00 14.15 N ATOM 19 CA SER A 2 6.284 -3.810 -3.062 1.00 2.11 C ATOM 20 C SER A 2 7.228 -4.987 -3.287 1.00 21.34 C ATOM 21 O SER A 2 8.204 -4.883 -4.030 1.00 21.21 O ATOM 22 CB SER A 2 4.874 -4.175 -3.530 1.00 63.50 C ATOM 23 OG SER A 2 3.898 -3.725 -2.607 1.00 53.45 O ATOM 0 H SER A 2 7.348 -2.819 -4.574 1.00 14.15 H new ATOM 0 HA SER A 2 6.258 -3.586 -1.996 1.00 2.11 H new ATOM 0 HB2 SER A 2 4.686 -3.732 -4.508 1.00 63.50 H new ATOM 0 HB3 SER A 2 4.795 -5.256 -3.649 1.00 63.50 H new ATOM 0 HG SER A 2 4.144 -2.835 -2.279 1.00 53.45 H new ATOM 29 N LYS A 3 6.930 -6.108 -2.638 1.00 62.23 N ATOM 30 CA LYS A 3 7.750 -7.308 -2.766 1.00 55.54 C ATOM 31 C LYS A 3 6.899 -8.507 -3.173 1.00 11.25 C ATOM 32 O LYS A 3 5.729 -8.359 -3.522 1.00 72.44 O ATOM 33 CB LYS A 3 8.469 -7.602 -1.448 1.00 14.01 C ATOM 34 CG LYS A 3 9.946 -7.913 -1.617 1.00 13.20 C ATOM 35 CD LYS A 3 10.712 -7.701 -0.322 1.00 32.20 C ATOM 36 CE LYS A 3 12.163 -8.137 -0.455 1.00 40.23 C ATOM 37 NZ LYS A 3 13.074 -7.289 0.362 1.00 0.14 N ATOM 0 H LYS A 3 6.127 -6.211 -2.018 1.00 62.23 H new ATOM 0 HA LYS A 3 8.492 -7.130 -3.545 1.00 55.54 H new ATOM 0 HB2 LYS A 3 8.361 -6.743 -0.785 1.00 14.01 H new ATOM 0 HB3 LYS A 3 7.982 -8.446 -0.959 1.00 14.01 H new ATOM 0 HG2 LYS A 3 10.066 -8.945 -1.947 1.00 13.20 H new ATOM 0 HG3 LYS A 3 10.366 -7.278 -2.397 1.00 13.20 H new ATOM 0 HD2 LYS A 3 10.671 -6.648 -0.042 1.00 32.20 H new ATOM 0 HD3 LYS A 3 10.234 -8.263 0.481 1.00 32.20 H new ATOM 0 HE2 LYS A 3 12.259 -9.177 -0.144 1.00 40.23 H new ATOM 0 HE3 LYS A 3 12.463 -8.088 -1.502 1.00 40.23 H new ATOM 0 HZ1 LYS A 3 14.053 -7.618 0.244 1.00 0.14 H new ATOM 0 HZ2 LYS A 3 13.001 -6.300 0.049 1.00 0.14 H new ATOM 0 HZ3 LYS A 3 12.805 -7.356 1.364 1.00 0.14 H new ATOM 51 N ASN A 4 7.495 -9.694 -3.122 1.00 50.40 N ATOM 52 CA ASN A 4 6.791 -10.919 -3.484 1.00 10.50 C ATOM 53 C ASN A 4 6.737 -11.884 -2.304 1.00 13.33 C ATOM 54 O ASN A 4 7.707 -12.585 -2.018 1.00 53.12 O ATOM 55 CB ASN A 4 7.475 -11.591 -4.676 1.00 74.02 C ATOM 56 CG ASN A 4 8.983 -11.636 -4.528 1.00 21.55 C ATOM 57 OD1 ASN A 4 9.539 -12.610 -4.018 1.00 13.20 O ATOM 58 ND2 ASN A 4 9.653 -10.580 -4.973 1.00 25.20 N ATOM 0 H ASN A 4 8.463 -9.834 -2.834 1.00 50.40 H new ATOM 0 HA ASN A 4 5.771 -10.654 -3.761 1.00 10.50 H new ATOM 0 HB2 ASN A 4 7.093 -12.606 -4.786 1.00 74.02 H new ATOM 0 HB3 ASN A 4 7.218 -11.054 -5.589 1.00 74.02 H new ATOM 0 HD21 ASN A 4 10.670 -10.553 -4.900 1.00 25.20 H new ATOM 0 HD22 ASN A 4 9.151 -9.795 -5.388 1.00 25.20 H new ATOM 65 N GLU A 5 5.595 -11.914 -1.623 1.00 4.44 N ATOM 66 CA GLU A 5 5.415 -12.793 -0.473 1.00 42.24 C ATOM 67 C GLU A 5 5.031 -14.200 -0.920 1.00 72.41 C ATOM 68 O GLU A 5 5.623 -15.186 -0.480 1.00 34.10 O ATOM 69 CB GLU A 5 4.342 -12.232 0.463 1.00 64.14 C ATOM 70 CG GLU A 5 4.505 -10.750 0.756 1.00 75.05 C ATOM 71 CD GLU A 5 3.477 -9.897 0.036 1.00 24.42 C ATOM 72 OE1 GLU A 5 2.288 -10.280 0.032 1.00 43.50 O ATOM 73 OE2 GLU A 5 3.862 -8.849 -0.522 1.00 60.04 O ATOM 0 H GLU A 5 4.782 -11.341 -1.847 1.00 4.44 H new ATOM 0 HA GLU A 5 6.362 -12.846 0.064 1.00 42.24 H new ATOM 0 HB2 GLU A 5 3.361 -12.400 0.019 1.00 64.14 H new ATOM 0 HB3 GLU A 5 4.366 -12.784 1.402 1.00 64.14 H new ATOM 0 HG2 GLU A 5 4.421 -10.584 1.830 1.00 75.05 H new ATOM 0 HG3 GLU A 5 5.505 -10.433 0.462 1.00 75.05 H new ATOM 80 N ARG A 6 4.035 -14.285 -1.796 1.00 63.45 N ATOM 81 CA ARG A 6 3.570 -15.571 -2.302 1.00 20.42 C ATOM 82 C ARG A 6 3.952 -15.750 -3.768 1.00 51.33 C ATOM 83 O ARG A 6 4.466 -16.796 -4.163 1.00 60.34 O ATOM 84 CB ARG A 6 2.053 -15.688 -2.141 1.00 22.01 C ATOM 85 CG ARG A 6 1.628 -16.376 -0.854 1.00 63.20 C ATOM 86 CD ARG A 6 0.347 -17.173 -1.045 1.00 41.20 C ATOM 87 NE ARG A 6 0.585 -18.613 -0.990 1.00 54.32 N ATOM 88 CZ ARG A 6 -0.386 -19.514 -0.894 1.00 31.53 C ATOM 89 NH1 ARG A 6 -1.653 -19.127 -0.842 1.00 1.31 N ATOM 90 NH2 ARG A 6 -0.090 -20.807 -0.849 1.00 73.22 N ATOM 0 H ARG A 6 3.535 -13.479 -2.170 1.00 63.45 H new ATOM 0 HA ARG A 6 4.052 -16.357 -1.721 1.00 20.42 H new ATOM 0 HB2 ARG A 6 1.615 -14.690 -2.171 1.00 22.01 H new ATOM 0 HB3 ARG A 6 1.648 -16.240 -2.989 1.00 22.01 H new ATOM 0 HG2 ARG A 6 2.424 -17.040 -0.515 1.00 63.20 H new ATOM 0 HG3 ARG A 6 1.481 -15.630 -0.073 1.00 63.20 H new ATOM 0 HD2 ARG A 6 -0.371 -16.895 -0.274 1.00 41.20 H new ATOM 0 HD3 ARG A 6 -0.100 -16.916 -2.005 1.00 41.20 H new ATOM 0 HE ARG A 6 1.549 -18.945 -1.027 1.00 54.32 H new ATOM 0 HH11 ARG A 6 -1.885 -18.134 -0.876 1.00 1.31 H new ATOM 0 HH12 ARG A 6 -2.396 -19.822 -0.768 1.00 1.31 H new ATOM 0 HH21 ARG A 6 0.883 -21.109 -0.888 1.00 73.22 H new ATOM 0 HH22 ARG A 6 -0.836 -21.499 -0.775 1.00 73.22 H new ATOM 104 N ASP A 7 3.697 -14.722 -4.570 1.00 14.41 N ATOM 105 CA ASP A 7 4.014 -14.764 -5.993 1.00 31.14 C ATOM 106 C ASP A 7 3.207 -15.850 -6.697 1.00 73.02 C ATOM 107 O ASP A 7 3.617 -16.370 -7.735 1.00 44.34 O ATOM 108 CB ASP A 7 5.510 -15.010 -6.196 1.00 53.02 C ATOM 109 CG ASP A 7 5.997 -14.527 -7.548 1.00 70.42 C ATOM 110 OD1 ASP A 7 5.202 -13.896 -8.275 1.00 55.31 O ATOM 111 OD2 ASP A 7 7.174 -14.780 -7.879 1.00 70.51 O ATOM 0 H ASP A 7 3.271 -13.849 -4.259 1.00 14.41 H new ATOM 0 HA ASP A 7 3.750 -13.800 -6.428 1.00 31.14 H new ATOM 0 HB2 ASP A 7 6.069 -14.503 -5.409 1.00 53.02 H new ATOM 0 HB3 ASP A 7 5.717 -16.076 -6.098 1.00 53.02 H new ATOM 116 N THR A 8 2.056 -16.190 -6.125 1.00 54.23 N ATOM 117 CA THR A 8 1.192 -17.215 -6.697 1.00 32.23 C ATOM 118 C THR A 8 -0.278 -16.832 -6.566 1.00 2.43 C ATOM 119 O THR A 8 -1.156 -17.694 -6.559 1.00 70.11 O ATOM 120 CB THR A 8 1.417 -18.580 -6.020 1.00 34.45 C ATOM 121 OG1 THR A 8 1.153 -18.480 -4.616 1.00 34.33 O ATOM 122 CG2 THR A 8 2.842 -19.065 -6.239 1.00 75.44 C ATOM 0 H THR A 8 1.701 -15.770 -5.266 1.00 54.23 H new ATOM 0 HA THR A 8 1.451 -17.293 -7.753 1.00 32.23 H new ATOM 0 HB THR A 8 0.732 -19.300 -6.468 1.00 34.45 H new ATOM 0 HG1 THR A 8 1.297 -19.352 -4.193 1.00 34.33 H new ATOM 0 HG21 THR A 8 2.977 -20.031 -5.752 1.00 75.44 H new ATOM 0 HG22 THR A 8 3.031 -19.168 -7.308 1.00 75.44 H new ATOM 0 HG23 THR A 8 3.541 -18.344 -5.815 1.00 75.44 H new ATOM 130 N SER A 9 -0.539 -15.532 -6.462 1.00 65.43 N ATOM 131 CA SER A 9 -1.903 -15.035 -6.328 1.00 43.25 C ATOM 132 C SER A 9 -2.108 -13.778 -7.169 1.00 65.21 C ATOM 133 O SER A 9 -3.127 -13.627 -7.842 1.00 14.11 O ATOM 134 CB SER A 9 -2.218 -14.738 -4.861 1.00 41.42 C ATOM 135 OG SER A 9 -2.937 -15.805 -4.268 1.00 11.22 O ATOM 0 H SER A 9 0.176 -14.805 -6.468 1.00 65.43 H new ATOM 0 HA SER A 9 -2.582 -15.807 -6.689 1.00 43.25 H new ATOM 0 HB2 SER A 9 -1.291 -14.571 -4.313 1.00 41.42 H new ATOM 0 HB3 SER A 9 -2.800 -13.819 -4.790 1.00 41.42 H new ATOM 0 HG SER A 9 -3.125 -15.592 -3.330 1.00 11.22 H new ATOM 141 N PHE A 10 -1.130 -12.879 -7.125 1.00 53.21 N ATOM 142 CA PHE A 10 -1.202 -11.634 -7.881 1.00 53.02 C ATOM 143 C PHE A 10 0.052 -11.439 -8.728 1.00 52.23 C ATOM 144 O PHE A 10 1.172 -11.550 -8.232 1.00 60.45 O ATOM 145 CB PHE A 10 -1.381 -10.446 -6.933 1.00 70.33 C ATOM 146 CG PHE A 10 -0.412 -10.444 -5.786 1.00 21.13 C ATOM 147 CD1 PHE A 10 -0.691 -11.147 -4.625 1.00 21.41 C ATOM 148 CD2 PHE A 10 0.778 -9.739 -5.868 1.00 21.40 C ATOM 149 CE1 PHE A 10 0.199 -11.146 -3.567 1.00 72.33 C ATOM 150 CE2 PHE A 10 1.672 -9.735 -4.814 1.00 10.13 C ATOM 151 CZ PHE A 10 1.382 -10.440 -3.662 1.00 62.32 C ATOM 0 H PHE A 10 -0.279 -12.989 -6.574 1.00 53.21 H new ATOM 0 HA PHE A 10 -2.063 -11.692 -8.546 1.00 53.02 H new ATOM 0 HB2 PHE A 10 -1.266 -9.521 -7.497 1.00 70.33 H new ATOM 0 HB3 PHE A 10 -2.397 -10.455 -6.540 1.00 70.33 H new ATOM 0 HD1 PHE A 10 -1.614 -11.702 -4.546 1.00 21.41 H new ATOM 0 HD2 PHE A 10 1.010 -9.186 -6.766 1.00 21.40 H new ATOM 0 HE1 PHE A 10 -0.031 -11.697 -2.667 1.00 72.33 H new ATOM 0 HE2 PHE A 10 2.596 -9.181 -4.891 1.00 10.13 H new ATOM 0 HZ PHE A 10 2.079 -10.439 -2.837 1.00 62.32 H new ATOM 161 N ASN A 11 -0.147 -11.147 -10.010 1.00 25.32 N ATOM 162 CA ASN A 11 0.968 -10.938 -10.927 1.00 53.42 C ATOM 163 C ASN A 11 1.180 -9.451 -11.194 1.00 41.52 C ATOM 164 O ASN A 11 0.753 -8.926 -12.223 1.00 12.54 O ATOM 165 CB ASN A 11 0.716 -11.673 -12.245 1.00 54.11 C ATOM 166 CG ASN A 11 1.467 -12.988 -12.327 1.00 1.45 C ATOM 167 OD1 ASN A 11 0.963 -14.030 -11.910 1.00 31.43 O ATOM 168 ND2 ASN A 11 2.680 -12.943 -12.865 1.00 61.13 N ATOM 0 H ASN A 11 -1.068 -11.050 -10.437 1.00 25.32 H new ATOM 0 HA ASN A 11 1.869 -11.338 -10.462 1.00 53.42 H new ATOM 0 HB2 ASN A 11 -0.352 -11.860 -12.355 1.00 54.11 H new ATOM 0 HB3 ASN A 11 1.015 -11.035 -13.077 1.00 54.11 H new ATOM 0 HD21 ASN A 11 3.234 -13.796 -12.946 1.00 61.13 H new ATOM 0 HD22 ASN A 11 3.058 -12.056 -13.198 1.00 61.13 H new ATOM 175 N LYS A 12 1.844 -8.777 -10.261 1.00 52.51 N ATOM 176 CA LYS A 12 2.116 -7.350 -10.395 1.00 33.34 C ATOM 177 C LYS A 12 3.023 -7.079 -11.590 1.00 62.03 C ATOM 178 O LYS A 12 2.897 -6.052 -12.256 1.00 64.54 O ATOM 179 CB LYS A 12 2.763 -6.812 -9.117 1.00 3.21 C ATOM 180 CG LYS A 12 2.969 -5.307 -9.127 1.00 0.11 C ATOM 181 CD LYS A 12 1.918 -4.595 -8.291 1.00 43.14 C ATOM 182 CE LYS A 12 0.680 -4.270 -9.112 1.00 52.24 C ATOM 183 NZ LYS A 12 -0.569 -4.421 -8.316 1.00 11.34 N ATOM 0 H LYS A 12 2.204 -9.196 -9.403 1.00 52.51 H new ATOM 0 HA LYS A 12 1.168 -6.838 -10.558 1.00 33.34 H new ATOM 0 HB2 LYS A 12 2.140 -7.079 -8.264 1.00 3.21 H new ATOM 0 HB3 LYS A 12 3.726 -7.301 -8.974 1.00 3.21 H new ATOM 0 HG2 LYS A 12 3.962 -5.072 -8.743 1.00 0.11 H new ATOM 0 HG3 LYS A 12 2.929 -4.940 -10.153 1.00 0.11 H new ATOM 0 HD2 LYS A 12 1.640 -5.222 -7.444 1.00 43.14 H new ATOM 0 HD3 LYS A 12 2.337 -3.675 -7.883 1.00 43.14 H new ATOM 0 HE2 LYS A 12 0.751 -3.249 -9.487 1.00 52.24 H new ATOM 0 HE3 LYS A 12 0.638 -4.926 -9.981 1.00 52.24 H new ATOM 0 HZ1 LYS A 12 -1.314 -3.819 -8.721 1.00 11.34 H new ATOM 0 HZ2 LYS A 12 -0.877 -5.414 -8.338 1.00 11.34 H new ATOM 0 HZ3 LYS A 12 -0.390 -4.136 -7.332 1.00 11.34 H new ATOM 197 N ASN A 13 3.936 -8.007 -11.857 1.00 24.21 N ATOM 198 CA ASN A 13 4.864 -7.868 -12.973 1.00 43.14 C ATOM 199 C ASN A 13 4.111 -7.713 -14.291 1.00 32.11 C ATOM 200 O ASN A 13 4.463 -6.881 -15.125 1.00 50.45 O ATOM 201 CB ASN A 13 5.795 -9.080 -13.045 1.00 32.44 C ATOM 202 CG ASN A 13 5.040 -10.375 -13.277 1.00 64.22 C ATOM 203 OD1 ASN A 13 4.557 -11.003 -12.335 1.00 14.41 O ATOM 204 ND2 ASN A 13 4.937 -10.781 -14.537 1.00 62.53 N ATOM 0 H ASN A 13 4.053 -8.863 -11.316 1.00 24.21 H new ATOM 0 HA ASN A 13 5.460 -6.970 -12.807 1.00 43.14 H new ATOM 0 HB2 ASN A 13 6.516 -8.934 -13.849 1.00 32.44 H new ATOM 0 HB3 ASN A 13 6.363 -9.155 -12.117 1.00 32.44 H new ATOM 0 HD21 ASN A 13 4.442 -11.646 -14.755 1.00 62.53 H new ATOM 0 HD22 ASN A 13 5.353 -10.228 -15.287 1.00 62.53 H new ATOM 211 N GLY A 14 3.070 -8.522 -14.470 1.00 44.51 N ATOM 212 CA GLY A 14 2.283 -8.458 -15.687 1.00 71.45 C ATOM 213 C GLY A 14 1.578 -7.127 -15.854 1.00 1.34 C ATOM 214 O GLY A 14 1.462 -6.613 -16.967 1.00 3.21 O ATOM 0 H GLY A 14 2.759 -9.220 -13.794 1.00 44.51 H new ATOM 0 HA2 GLY A 14 2.932 -8.631 -16.545 1.00 71.45 H new ATOM 0 HA3 GLY A 14 1.543 -9.259 -15.680 1.00 71.45 H new ATOM 218 N CYS A 15 1.105 -6.567 -14.746 1.00 31.54 N ATOM 219 CA CYS A 15 0.405 -5.288 -14.774 1.00 30.03 C ATOM 220 C CYS A 15 1.354 -4.157 -15.156 1.00 24.22 C ATOM 221 O CYS A 15 1.036 -3.326 -16.007 1.00 64.15 O ATOM 222 CB CYS A 15 -0.229 -5.000 -13.412 1.00 41.11 C ATOM 223 SG CYS A 15 -1.174 -6.383 -12.730 1.00 42.52 S ATOM 0 H CYS A 15 1.194 -6.979 -13.817 1.00 31.54 H new ATOM 0 HA CYS A 15 -0.381 -5.348 -15.527 1.00 30.03 H new ATOM 0 HB2 CYS A 15 0.557 -4.729 -12.707 1.00 41.11 H new ATOM 0 HB3 CYS A 15 -0.886 -4.135 -13.505 1.00 41.11 H new ATOM 0 HG CYS A 15 -0.382 -7.396 -12.536 1.00 42.52 H new ATOM 229 N LEU A 16 2.520 -4.131 -14.520 1.00 4.41 N ATOM 230 CA LEU A 16 3.517 -3.100 -14.792 1.00 32.33 C ATOM 231 C LEU A 16 4.005 -3.182 -16.235 1.00 13.24 C ATOM 232 O LEU A 16 4.188 -2.161 -16.898 1.00 12.22 O ATOM 233 CB LEU A 16 4.700 -3.242 -13.832 1.00 50.55 C ATOM 234 CG LEU A 16 5.979 -2.504 -14.231 1.00 31.20 C ATOM 235 CD1 LEU A 16 6.560 -1.760 -13.039 1.00 33.24 C ATOM 236 CD2 LEU A 16 6.999 -3.477 -14.803 1.00 62.34 C ATOM 0 H LEU A 16 2.799 -4.811 -13.813 1.00 4.41 H new ATOM 0 HA LEU A 16 3.049 -2.127 -14.641 1.00 32.33 H new ATOM 0 HB2 LEU A 16 4.390 -2.886 -12.850 1.00 50.55 H new ATOM 0 HB3 LEU A 16 4.933 -4.302 -13.728 1.00 50.55 H new ATOM 0 HG LEU A 16 5.730 -1.775 -15.002 1.00 31.20 H new ATOM 0 HD11 LEU A 16 7.469 -1.241 -13.342 1.00 33.24 H new ATOM 0 HD12 LEU A 16 5.833 -1.035 -12.673 1.00 33.24 H new ATOM 0 HD13 LEU A 16 6.795 -2.470 -12.246 1.00 33.24 H new ATOM 0 HD21 LEU A 16 7.903 -2.935 -15.082 1.00 62.34 H new ATOM 0 HD22 LEU A 16 7.244 -4.230 -14.054 1.00 62.34 H new ATOM 0 HD23 LEU A 16 6.582 -3.965 -15.684 1.00 62.34 H new ATOM 248 N VAL A 17 4.212 -4.403 -16.716 1.00 32.52 N ATOM 249 CA VAL A 17 4.675 -4.619 -18.081 1.00 41.13 C ATOM 250 C VAL A 17 3.608 -4.218 -19.093 1.00 74.54 C ATOM 251 O VAL A 17 3.915 -3.670 -20.152 1.00 10.42 O ATOM 252 CB VAL A 17 5.064 -6.091 -18.317 1.00 14.34 C ATOM 253 CG1 VAL A 17 5.437 -6.318 -19.773 1.00 64.14 C ATOM 254 CG2 VAL A 17 6.205 -6.494 -17.396 1.00 2.45 C ATOM 0 H VAL A 17 4.066 -5.259 -16.180 1.00 32.52 H new ATOM 0 HA VAL A 17 5.556 -3.992 -18.219 1.00 41.13 H new ATOM 0 HB VAL A 17 4.203 -6.718 -18.086 1.00 14.34 H new ATOM 0 HG11 VAL A 17 5.709 -7.363 -19.920 1.00 64.14 H new ATOM 0 HG12 VAL A 17 4.587 -6.071 -20.409 1.00 64.14 H new ATOM 0 HG13 VAL A 17 6.283 -5.683 -20.035 1.00 64.14 H new ATOM 0 HG21 VAL A 17 6.467 -7.537 -17.576 1.00 2.45 H new ATOM 0 HG22 VAL A 17 7.072 -5.863 -17.593 1.00 2.45 H new ATOM 0 HG23 VAL A 17 5.895 -6.372 -16.358 1.00 2.45 H new ATOM 264 N PHE A 18 2.351 -4.496 -18.761 1.00 62.32 N ATOM 265 CA PHE A 18 1.237 -4.165 -19.641 1.00 73.55 C ATOM 266 C PHE A 18 1.103 -2.654 -19.806 1.00 25.31 C ATOM 267 O PHE A 18 1.108 -2.137 -20.923 1.00 72.21 O ATOM 268 CB PHE A 18 -0.067 -4.747 -19.090 1.00 3.45 C ATOM 269 CG PHE A 18 -1.282 -4.350 -19.879 1.00 5.35 C ATOM 270 CD1 PHE A 18 -1.972 -3.188 -19.574 1.00 52.33 C ATOM 271 CD2 PHE A 18 -1.733 -5.138 -20.925 1.00 25.23 C ATOM 272 CE1 PHE A 18 -3.091 -2.821 -20.298 1.00 42.32 C ATOM 273 CE2 PHE A 18 -2.850 -4.776 -21.653 1.00 34.04 C ATOM 274 CZ PHE A 18 -3.530 -3.615 -21.339 1.00 63.14 C ATOM 0 H PHE A 18 2.079 -4.950 -17.889 1.00 62.32 H new ATOM 0 HA PHE A 18 1.438 -4.603 -20.619 1.00 73.55 H new ATOM 0 HB2 PHE A 18 0.007 -5.834 -19.076 1.00 3.45 H new ATOM 0 HB3 PHE A 18 -0.192 -4.422 -18.057 1.00 3.45 H new ATOM 0 HD1 PHE A 18 -1.632 -2.562 -18.762 1.00 52.33 H new ATOM 0 HD2 PHE A 18 -1.205 -6.047 -21.175 1.00 25.23 H new ATOM 0 HE1 PHE A 18 -3.622 -1.914 -20.050 1.00 42.32 H new ATOM 0 HE2 PHE A 18 -3.191 -5.400 -22.466 1.00 34.04 H new ATOM 0 HZ PHE A 18 -4.403 -3.329 -21.907 1.00 63.14 H new ATOM 284 N VAL A 19 0.984 -1.951 -18.684 1.00 64.20 N ATOM 285 CA VAL A 19 0.850 -0.499 -18.702 1.00 63.52 C ATOM 286 C VAL A 19 2.078 0.158 -19.322 1.00 3.12 C ATOM 287 O VAL A 19 1.966 1.142 -20.053 1.00 72.10 O ATOM 288 CB VAL A 19 0.641 0.063 -17.284 1.00 22.34 C ATOM 289 CG1 VAL A 19 -0.688 -0.408 -16.713 1.00 41.00 C ATOM 290 CG2 VAL A 19 1.793 -0.341 -16.376 1.00 3.01 C ATOM 0 H VAL A 19 0.978 -2.364 -17.751 1.00 64.20 H new ATOM 0 HA VAL A 19 -0.026 -0.269 -19.308 1.00 63.52 H new ATOM 0 HB VAL A 19 0.619 1.151 -17.343 1.00 22.34 H new ATOM 0 HG11 VAL A 19 -0.818 -0.001 -15.710 1.00 41.00 H new ATOM 0 HG12 VAL A 19 -1.501 -0.064 -17.353 1.00 41.00 H new ATOM 0 HG13 VAL A 19 -0.699 -1.497 -16.666 1.00 41.00 H new ATOM 0 HG21 VAL A 19 1.629 0.065 -15.378 1.00 3.01 H new ATOM 0 HG22 VAL A 19 1.849 -1.428 -16.321 1.00 3.01 H new ATOM 0 HG23 VAL A 19 2.728 0.051 -16.778 1.00 3.01 H new ATOM 300 N SER A 20 3.251 -0.392 -19.025 1.00 30.45 N ATOM 301 CA SER A 20 4.502 0.143 -19.550 1.00 33.43 C ATOM 302 C SER A 20 4.537 0.045 -21.072 1.00 5.31 C ATOM 303 O SER A 20 4.831 1.023 -21.761 1.00 34.34 O ATOM 304 CB SER A 20 5.693 -0.608 -18.951 1.00 41.42 C ATOM 305 OG SER A 20 6.038 -0.086 -17.680 1.00 12.33 O ATOM 0 H SER A 20 3.361 -1.208 -18.423 1.00 30.45 H new ATOM 0 HA SER A 20 4.566 1.194 -19.269 1.00 33.43 H new ATOM 0 HB2 SER A 20 5.450 -1.667 -18.859 1.00 41.42 H new ATOM 0 HB3 SER A 20 6.548 -0.534 -19.622 1.00 41.42 H new ATOM 0 HG SER A 20 5.556 -0.577 -16.983 1.00 12.33 H new ATOM 311 N ARG A 21 4.237 -1.141 -21.590 1.00 20.22 N ATOM 312 CA ARG A 21 4.236 -1.368 -23.030 1.00 12.10 C ATOM 313 C ARG A 21 3.085 -0.621 -23.697 1.00 14.30 C ATOM 314 O ARG A 21 3.233 -0.082 -24.795 1.00 30.31 O ATOM 315 CB ARG A 21 4.130 -2.864 -23.332 1.00 50.21 C ATOM 316 CG ARG A 21 5.477 -3.549 -23.494 1.00 31.34 C ATOM 317 CD ARG A 21 6.357 -3.344 -22.270 1.00 75.42 C ATOM 318 NE ARG A 21 7.343 -2.288 -22.476 1.00 42.43 N ATOM 319 CZ ARG A 21 8.218 -1.908 -21.551 1.00 71.33 C ATOM 320 NH1 ARG A 21 8.229 -2.497 -20.363 1.00 55.22 N ATOM 321 NH2 ARG A 21 9.085 -0.939 -21.814 1.00 51.21 N ATOM 0 H ARG A 21 3.991 -1.960 -21.034 1.00 20.22 H new ATOM 0 HA ARG A 21 5.175 -0.989 -23.433 1.00 12.10 H new ATOM 0 HB2 ARG A 21 3.579 -3.350 -22.527 1.00 50.21 H new ATOM 0 HB3 ARG A 21 3.550 -3.002 -24.244 1.00 50.21 H new ATOM 0 HG2 ARG A 21 5.326 -4.616 -23.661 1.00 31.34 H new ATOM 0 HG3 ARG A 21 5.982 -3.157 -24.377 1.00 31.34 H new ATOM 0 HD2 ARG A 21 5.732 -3.094 -21.412 1.00 75.42 H new ATOM 0 HD3 ARG A 21 6.869 -4.276 -22.031 1.00 75.42 H new ATOM 0 HE ARG A 21 7.361 -1.816 -23.380 1.00 42.43 H new ATOM 0 HH11 ARG A 21 7.565 -3.243 -20.158 1.00 55.22 H new ATOM 0 HH12 ARG A 21 8.902 -2.204 -19.655 1.00 55.22 H new ATOM 0 HH21 ARG A 21 9.080 -0.485 -22.727 1.00 51.21 H new ATOM 0 HH22 ARG A 21 9.756 -0.648 -21.103 1.00 51.21 H new ATOM 335 N LEU A 22 1.938 -0.592 -23.027 1.00 73.42 N ATOM 336 CA LEU A 22 0.760 0.088 -23.555 1.00 2.33 C ATOM 337 C LEU A 22 1.043 1.570 -23.779 1.00 12.30 C ATOM 338 O LEU A 22 0.670 2.135 -24.807 1.00 73.44 O ATOM 339 CB LEU A 22 -0.421 -0.078 -22.597 1.00 71.23 C ATOM 340 CG LEU A 22 -1.439 1.062 -22.583 1.00 54.41 C ATOM 341 CD1 LEU A 22 -2.839 0.526 -22.324 1.00 25.42 C ATOM 342 CD2 LEU A 22 -1.062 2.101 -21.537 1.00 13.11 C ATOM 0 H LEU A 22 1.799 -1.031 -22.117 1.00 73.42 H new ATOM 0 HA LEU A 22 0.508 -0.365 -24.514 1.00 2.33 H new ATOM 0 HB2 LEU A 22 -0.942 -1.001 -22.851 1.00 71.23 H new ATOM 0 HB3 LEU A 22 -0.029 -0.201 -21.587 1.00 71.23 H new ATOM 0 HG LEU A 22 -1.432 1.541 -23.562 1.00 54.41 H new ATOM 0 HD11 LEU A 22 -3.550 1.352 -22.318 1.00 25.42 H new ATOM 0 HD12 LEU A 22 -3.110 -0.179 -23.110 1.00 25.42 H new ATOM 0 HD13 LEU A 22 -2.862 0.020 -21.359 1.00 25.42 H new ATOM 0 HD21 LEU A 22 -1.798 2.905 -21.541 1.00 13.11 H new ATOM 0 HD22 LEU A 22 -1.040 1.634 -20.552 1.00 13.11 H new ATOM 0 HD23 LEU A 22 -0.078 2.509 -21.767 1.00 13.11 H new ATOM 354 N TRP A 23 1.705 2.194 -22.811 1.00 63.34 N ATOM 355 CA TRP A 23 2.040 3.610 -22.904 1.00 41.25 C ATOM 356 C TRP A 23 2.925 3.882 -24.116 1.00 55.13 C ATOM 357 O TRP A 23 2.800 4.920 -24.767 1.00 31.21 O ATOM 358 CB TRP A 23 2.745 4.074 -21.629 1.00 22.43 C ATOM 359 CG TRP A 23 1.807 4.309 -20.484 1.00 2.43 C ATOM 360 CD1 TRP A 23 0.519 4.757 -20.558 1.00 43.53 C ATOM 361 CD2 TRP A 23 2.085 4.111 -19.093 1.00 43.13 C ATOM 362 NE1 TRP A 23 -0.020 4.850 -19.298 1.00 31.31 N ATOM 363 CE2 TRP A 23 0.920 4.458 -18.382 1.00 30.01 C ATOM 364 CE3 TRP A 23 3.204 3.672 -18.380 1.00 41.43 C ATOM 365 CZ2 TRP A 23 0.845 4.380 -16.994 1.00 11.22 C ATOM 366 CZ3 TRP A 23 3.128 3.596 -17.003 1.00 10.04 C ATOM 367 CH2 TRP A 23 1.955 3.948 -16.321 1.00 62.41 C ATOM 0 H TRP A 23 2.020 1.742 -21.953 1.00 63.34 H new ATOM 0 HA TRP A 23 1.112 4.170 -23.022 1.00 41.25 H new ATOM 0 HB2 TRP A 23 3.483 3.326 -21.338 1.00 22.43 H new ATOM 0 HB3 TRP A 23 3.290 4.995 -21.838 1.00 22.43 H new ATOM 0 HD1 TRP A 23 0.000 5.002 -21.473 1.00 43.53 H new ATOM 0 HE1 TRP A 23 -0.967 5.161 -19.080 1.00 31.31 H new ATOM 0 HE3 TRP A 23 4.112 3.397 -18.896 1.00 41.43 H new ATOM 0 HZ2 TRP A 23 -0.058 4.651 -16.467 1.00 11.22 H new ATOM 0 HZ3 TRP A 23 3.987 3.260 -16.442 1.00 10.04 H new ATOM 0 HH2 TRP A 23 1.927 3.877 -15.244 1.00 62.41 H new ATOM 378 N ASP A 24 3.817 2.944 -24.414 1.00 40.31 N ATOM 379 CA ASP A 24 4.722 3.083 -25.550 1.00 33.25 C ATOM 380 C ASP A 24 3.961 2.970 -26.867 1.00 63.42 C ATOM 381 O ASP A 24 4.011 3.871 -27.705 1.00 4.43 O ATOM 382 CB ASP A 24 5.820 2.020 -25.487 1.00 35.22 C ATOM 383 CG ASP A 24 7.181 2.611 -25.179 1.00 42.13 C ATOM 384 OD1 ASP A 24 7.295 3.350 -24.178 1.00 64.54 O ATOM 385 OD2 ASP A 24 8.133 2.335 -25.939 1.00 32.21 O ATOM 0 H ASP A 24 3.933 2.079 -23.885 1.00 40.31 H new ATOM 0 HA ASP A 24 5.181 4.071 -25.500 1.00 33.25 H new ATOM 0 HB2 ASP A 24 5.566 1.284 -24.724 1.00 35.22 H new ATOM 0 HB3 ASP A 24 5.864 1.491 -26.439 1.00 35.22 H new ATOM 390 N LEU A 25 3.259 1.856 -27.045 1.00 12.21 N ATOM 391 CA LEU A 25 2.488 1.624 -28.262 1.00 22.14 C ATOM 392 C LEU A 25 1.457 2.728 -28.472 1.00 34.41 C ATOM 393 O LEU A 25 1.047 3.001 -29.600 1.00 41.52 O ATOM 394 CB LEU A 25 1.791 0.264 -28.195 1.00 53.12 C ATOM 395 CG LEU A 25 0.348 0.274 -27.689 1.00 73.14 C ATOM 396 CD1 LEU A 25 -0.621 0.488 -28.842 1.00 64.33 C ATOM 397 CD2 LEU A 25 0.030 -1.022 -26.957 1.00 44.22 C ATOM 0 H LEU A 25 3.208 1.100 -26.363 1.00 12.21 H new ATOM 0 HA LEU A 25 3.177 1.631 -29.107 1.00 22.14 H new ATOM 0 HB2 LEU A 25 1.802 -0.177 -29.192 1.00 53.12 H new ATOM 0 HB3 LEU A 25 2.377 -0.391 -27.550 1.00 53.12 H new ATOM 0 HG LEU A 25 0.235 1.101 -26.988 1.00 73.14 H new ATOM 0 HD11 LEU A 25 -1.643 0.492 -28.463 1.00 64.33 H new ATOM 0 HD12 LEU A 25 -0.409 1.443 -29.323 1.00 64.33 H new ATOM 0 HD13 LEU A 25 -0.507 -0.317 -29.568 1.00 64.33 H new ATOM 0 HD21 LEU A 25 -1.001 -0.997 -26.604 1.00 44.22 H new ATOM 0 HD22 LEU A 25 0.161 -1.865 -27.636 1.00 44.22 H new ATOM 0 HD23 LEU A 25 0.702 -1.134 -26.106 1.00 44.22 H new ATOM 409 N ASP A 26 1.042 3.359 -27.379 1.00 63.10 N ATOM 410 CA ASP A 26 0.061 4.436 -27.444 1.00 31.44 C ATOM 411 C ASP A 26 0.687 5.709 -28.003 1.00 5.11 C ATOM 412 O ASP A 26 0.964 6.654 -27.264 1.00 42.31 O ATOM 413 CB ASP A 26 -0.523 4.706 -26.056 1.00 42.41 C ATOM 414 CG ASP A 26 -1.482 5.881 -26.051 1.00 22.55 C ATOM 415 OD1 ASP A 26 -1.926 6.288 -27.144 1.00 14.12 O ATOM 416 OD2 ASP A 26 -1.787 6.392 -24.953 1.00 13.41 O ATOM 0 H ASP A 26 1.370 3.143 -26.437 1.00 63.10 H new ATOM 0 HA ASP A 26 -0.741 4.124 -28.113 1.00 31.44 H new ATOM 0 HB2 ASP A 26 -1.043 3.815 -25.704 1.00 42.41 H new ATOM 0 HB3 ASP A 26 0.289 4.900 -25.355 1.00 42.41 H new ATOM 421 N LYS A 27 0.910 5.727 -29.313 1.00 11.03 N ATOM 422 CA LYS A 27 1.504 6.884 -29.973 1.00 33.43 C ATOM 423 C LYS A 27 0.515 8.044 -30.031 1.00 61.31 C ATOM 424 O LYS A 27 0.908 9.210 -29.992 1.00 43.45 O ATOM 425 CB LYS A 27 1.956 6.513 -31.387 1.00 52.21 C ATOM 426 CG LYS A 27 3.224 5.677 -31.421 1.00 54.51 C ATOM 427 CD LYS A 27 4.045 5.961 -32.667 1.00 43.24 C ATOM 428 CE LYS A 27 5.514 6.168 -32.331 1.00 63.23 C ATOM 429 NZ LYS A 27 5.881 7.611 -32.313 1.00 65.11 N ATOM 0 H LYS A 27 0.688 4.953 -29.939 1.00 11.03 H new ATOM 0 HA LYS A 27 2.371 7.198 -29.392 1.00 33.43 H new ATOM 0 HB2 LYS A 27 1.156 5.964 -31.883 1.00 52.21 H new ATOM 0 HB3 LYS A 27 2.118 7.427 -31.959 1.00 52.21 H new ATOM 0 HG2 LYS A 27 3.823 5.886 -30.534 1.00 54.51 H new ATOM 0 HG3 LYS A 27 2.964 4.619 -31.388 1.00 54.51 H new ATOM 0 HD2 LYS A 27 3.944 5.132 -33.367 1.00 43.24 H new ATOM 0 HD3 LYS A 27 3.656 6.849 -33.166 1.00 43.24 H new ATOM 0 HE2 LYS A 27 5.730 5.726 -31.358 1.00 63.23 H new ATOM 0 HE3 LYS A 27 6.131 5.646 -33.062 1.00 63.23 H new ATOM 0 HZ1 LYS A 27 6.890 7.710 -32.080 1.00 65.11 H new ATOM 0 HZ2 LYS A 27 5.699 8.027 -33.249 1.00 65.11 H new ATOM 0 HZ3 LYS A 27 5.311 8.105 -31.598 1.00 65.11 H new ATOM 443 N LEU A 28 -0.769 7.716 -30.123 1.00 11.50 N ATOM 444 CA LEU A 28 -1.815 8.732 -30.185 1.00 22.21 C ATOM 445 C LEU A 28 -1.672 9.731 -29.041 1.00 73.22 C ATOM 446 O LEU A 28 -2.020 10.903 -29.180 1.00 62.31 O ATOM 447 CB LEU A 28 -3.195 8.074 -30.134 1.00 10.21 C ATOM 448 CG LEU A 28 -4.365 8.996 -29.790 1.00 14.21 C ATOM 449 CD1 LEU A 28 -5.486 8.839 -30.806 1.00 64.34 C ATOM 450 CD2 LEU A 28 -4.874 8.711 -28.384 1.00 71.34 C ATOM 0 H LEU A 28 -1.111 6.756 -30.156 1.00 11.50 H new ATOM 0 HA LEU A 28 -1.710 9.270 -31.127 1.00 22.21 H new ATOM 0 HB2 LEU A 28 -3.393 7.615 -31.103 1.00 10.21 H new ATOM 0 HB3 LEU A 28 -3.165 7.269 -29.400 1.00 10.21 H new ATOM 0 HG LEU A 28 -4.012 10.027 -29.825 1.00 14.21 H new ATOM 0 HD11 LEU A 28 -6.310 9.503 -30.544 1.00 64.34 H new ATOM 0 HD12 LEU A 28 -5.116 9.094 -31.799 1.00 64.34 H new ATOM 0 HD13 LEU A 28 -5.837 7.807 -30.804 1.00 64.34 H new ATOM 0 HD21 LEU A 28 -5.707 9.377 -28.157 1.00 71.34 H new ATOM 0 HD22 LEU A 28 -5.209 7.676 -28.321 1.00 71.34 H new ATOM 0 HD23 LEU A 28 -4.071 8.876 -27.666 1.00 71.34 H new ATOM 462 N GLY A 29 -1.156 9.259 -27.910 1.00 72.43 N ATOM 463 CA GLY A 29 -0.975 10.124 -26.760 1.00 24.04 C ATOM 464 C GLY A 29 -1.833 9.709 -25.581 1.00 24.01 C ATOM 465 O GLY A 29 -1.315 9.367 -24.518 1.00 51.01 O ATOM 0 H GLY A 29 -0.860 8.293 -27.770 1.00 72.43 H new ATOM 0 HA2 GLY A 29 0.074 10.114 -26.463 1.00 24.04 H new ATOM 0 HA3 GLY A 29 -1.218 11.149 -27.039 1.00 24.04 H new ATOM 469 N MET A 30 -3.148 9.740 -25.768 1.00 41.54 N ATOM 470 CA MET A 30 -4.079 9.365 -24.711 1.00 33.11 C ATOM 471 C MET A 30 -5.057 8.301 -25.200 1.00 52.33 C ATOM 472 O MET A 30 -6.248 8.567 -25.365 1.00 41.41 O ATOM 473 CB MET A 30 -4.848 10.593 -24.219 1.00 24.12 C ATOM 474 CG MET A 30 -4.055 11.459 -23.253 1.00 41.04 C ATOM 475 SD MET A 30 -5.067 12.107 -21.909 1.00 75.24 S ATOM 476 CE MET A 30 -3.905 13.213 -21.113 1.00 34.33 C ATOM 0 H MET A 30 -3.593 10.021 -26.642 1.00 41.54 H new ATOM 0 HA MET A 30 -3.502 8.951 -23.884 1.00 33.11 H new ATOM 0 HB2 MET A 30 -5.141 11.196 -25.078 1.00 24.12 H new ATOM 0 HB3 MET A 30 -5.766 10.265 -23.731 1.00 24.12 H new ATOM 0 HG2 MET A 30 -3.235 10.874 -22.836 1.00 41.04 H new ATOM 0 HG3 MET A 30 -3.608 12.290 -23.799 1.00 41.04 H new ATOM 0 HE1 MET A 30 -4.385 13.692 -20.259 1.00 34.33 H new ATOM 0 HE2 MET A 30 -3.039 12.646 -20.772 1.00 34.33 H new ATOM 0 HE3 MET A 30 -3.584 13.975 -21.823 1.00 34.33 H new ATOM 486 N PHE A 31 -4.547 7.096 -25.431 1.00 41.22 N ATOM 487 CA PHE A 31 -5.375 5.993 -25.903 1.00 74.20 C ATOM 488 C PHE A 31 -5.560 4.945 -24.809 1.00 53.02 C ATOM 489 O PHE A 31 -4.593 4.348 -24.335 1.00 42.34 O ATOM 490 CB PHE A 31 -4.748 5.349 -27.141 1.00 24.21 C ATOM 491 CG PHE A 31 -5.694 4.465 -27.902 1.00 22.32 C ATOM 492 CD1 PHE A 31 -5.848 3.132 -27.555 1.00 14.21 C ATOM 493 CD2 PHE A 31 -6.428 4.966 -28.964 1.00 73.04 C ATOM 494 CE1 PHE A 31 -6.719 2.316 -28.253 1.00 24.13 C ATOM 495 CE2 PHE A 31 -7.300 4.155 -29.666 1.00 32.34 C ATOM 496 CZ PHE A 31 -7.445 2.828 -29.310 1.00 64.22 C ATOM 0 H PHE A 31 -3.564 6.859 -25.299 1.00 41.22 H new ATOM 0 HA PHE A 31 -6.354 6.394 -26.167 1.00 74.20 H new ATOM 0 HB2 PHE A 31 -4.384 6.134 -27.804 1.00 24.21 H new ATOM 0 HB3 PHE A 31 -3.881 4.762 -26.836 1.00 24.21 H new ATOM 0 HD1 PHE A 31 -5.281 2.726 -26.730 1.00 14.21 H new ATOM 0 HD2 PHE A 31 -6.318 6.002 -29.247 1.00 73.04 H new ATOM 0 HE1 PHE A 31 -6.831 1.279 -27.972 1.00 24.13 H new ATOM 0 HE2 PHE A 31 -7.867 4.558 -30.492 1.00 32.34 H new ATOM 0 HZ PHE A 31 -8.125 2.192 -29.858 1.00 64.22 H new ATOM 506 N HIS A 32 -6.810 4.727 -24.412 1.00 70.12 N ATOM 507 CA HIS A 32 -7.123 3.751 -23.374 1.00 50.30 C ATOM 508 C HIS A 32 -8.628 3.680 -23.131 1.00 44.22 C ATOM 509 O HIS A 32 -9.098 3.900 -22.014 1.00 43.04 O ATOM 510 CB HIS A 32 -6.401 4.109 -22.074 1.00 73.34 C ATOM 511 CG HIS A 32 -6.450 5.569 -21.744 1.00 62.24 C ATOM 512 ND1 HIS A 32 -7.624 6.242 -21.480 1.00 3.03 N ATOM 513 CD2 HIS A 32 -5.460 6.485 -21.635 1.00 45.23 C ATOM 514 CE1 HIS A 32 -7.354 7.510 -21.224 1.00 23.42 C ATOM 515 NE2 HIS A 32 -6.047 7.683 -21.311 1.00 52.22 N ATOM 0 H HIS A 32 -7.622 5.213 -24.793 1.00 70.12 H new ATOM 0 HA HIS A 32 -6.781 2.773 -23.714 1.00 50.30 H new ATOM 0 HB2 HIS A 32 -6.845 3.545 -21.254 1.00 73.34 H new ATOM 0 HB3 HIS A 32 -5.359 3.797 -22.149 1.00 73.34 H new ATOM 0 HD1 HIS A 32 -8.555 5.826 -21.482 1.00 3.03 H new ATOM 0 HD2 HIS A 32 -4.404 6.307 -21.777 1.00 45.23 H new ATOM 0 HE1 HIS A 32 -8.078 8.275 -20.984 1.00 23.42 H new ATOM 523 N HIS A 33 -9.378 3.372 -24.184 1.00 53.52 N ATOM 524 CA HIS A 33 -10.830 3.273 -24.085 1.00 71.32 C ATOM 525 C HIS A 33 -11.383 2.326 -25.146 1.00 32.32 C ATOM 526 O HIS A 33 -10.738 2.040 -26.155 1.00 54.31 O ATOM 527 CB HIS A 33 -11.469 4.654 -24.235 1.00 62.20 C ATOM 528 CG HIS A 33 -11.717 5.344 -22.929 1.00 64.01 C ATOM 529 ND1 HIS A 33 -11.595 6.708 -22.764 1.00 32.54 N ATOM 530 CD2 HIS A 33 -12.083 4.851 -21.723 1.00 4.23 C ATOM 531 CE1 HIS A 33 -11.874 7.023 -21.512 1.00 12.45 C ATOM 532 NE2 HIS A 33 -12.174 5.915 -20.859 1.00 25.21 N ATOM 0 H HIS A 33 -9.005 3.187 -25.115 1.00 53.52 H new ATOM 0 HA HIS A 33 -11.076 2.873 -23.101 1.00 71.32 H new ATOM 0 HB2 HIS A 33 -10.822 5.280 -24.850 1.00 62.20 H new ATOM 0 HB3 HIS A 33 -12.414 4.552 -24.768 1.00 62.20 H new ATOM 0 HD2 HIS A 33 -12.269 3.814 -21.484 1.00 4.23 H new ATOM 0 HE1 HIS A 33 -11.859 8.018 -21.093 1.00 12.45 H new ATOM 0 HE2 HIS A 33 -12.431 5.859 -19.874 1.00 25.21 H new ATOM 540 N PRO A 34 -12.606 1.825 -24.914 1.00 1.44 N ATOM 541 CA PRO A 34 -13.272 0.903 -25.838 1.00 33.14 C ATOM 542 C PRO A 34 -13.691 1.584 -27.136 1.00 44.30 C ATOM 543 O PRO A 34 -14.012 2.773 -27.150 1.00 25.22 O ATOM 544 CB PRO A 34 -14.504 0.444 -25.054 1.00 33.14 C ATOM 545 CG PRO A 34 -14.775 1.549 -24.092 1.00 42.21 C ATOM 546 CD PRO A 34 -13.432 2.122 -23.731 1.00 52.35 C ATOM 0 HA PRO A 34 -12.616 0.088 -26.144 1.00 33.14 H new ATOM 0 HB2 PRO A 34 -15.354 0.277 -25.715 1.00 33.14 H new ATOM 0 HB3 PRO A 34 -14.315 -0.496 -24.535 1.00 33.14 H new ATOM 0 HG2 PRO A 34 -15.416 2.308 -24.540 1.00 42.21 H new ATOM 0 HG3 PRO A 34 -15.292 1.178 -23.207 1.00 42.21 H new ATOM 0 HD2 PRO A 34 -13.490 3.194 -23.540 1.00 52.35 H new ATOM 0 HD3 PRO A 34 -13.026 1.660 -22.831 1.00 52.35 H new ATOM 554 N VAL A 35 -13.685 0.824 -28.226 1.00 54.04 N ATOM 555 CA VAL A 35 -14.066 1.354 -29.530 1.00 51.51 C ATOM 556 C VAL A 35 -15.566 1.620 -29.599 1.00 3.12 C ATOM 557 O VAL A 35 -16.364 0.881 -29.023 1.00 54.30 O ATOM 558 CB VAL A 35 -13.674 0.389 -30.665 1.00 12.52 C ATOM 559 CG1 VAL A 35 -12.190 0.064 -30.600 1.00 42.04 C ATOM 560 CG2 VAL A 35 -14.510 -0.880 -30.597 1.00 12.42 C ATOM 0 H VAL A 35 -13.420 -0.161 -28.232 1.00 54.04 H new ATOM 0 HA VAL A 35 -13.527 2.293 -29.659 1.00 51.51 H new ATOM 0 HB VAL A 35 -13.873 0.877 -31.619 1.00 12.52 H new ATOM 0 HG11 VAL A 35 -11.931 -0.619 -31.409 1.00 42.04 H new ATOM 0 HG12 VAL A 35 -11.612 0.982 -30.701 1.00 42.04 H new ATOM 0 HG13 VAL A 35 -11.962 -0.405 -29.643 1.00 42.04 H new ATOM 0 HG21 VAL A 35 -14.220 -1.551 -31.406 1.00 12.42 H new ATOM 0 HG22 VAL A 35 -14.345 -1.374 -29.639 1.00 12.42 H new ATOM 0 HG23 VAL A 35 -15.565 -0.626 -30.697 1.00 12.42 H new ATOM 570 N SER A 36 -15.942 2.680 -30.308 1.00 24.15 N ATOM 571 CA SER A 36 -17.346 3.046 -30.449 1.00 70.43 C ATOM 572 C SER A 36 -18.033 2.170 -31.493 1.00 22.10 C ATOM 573 O SER A 36 -17.450 1.846 -32.527 1.00 74.34 O ATOM 574 CB SER A 36 -17.474 4.519 -30.839 1.00 52.45 C ATOM 575 OG SER A 36 -18.777 5.007 -30.568 1.00 4.41 O ATOM 0 H SER A 36 -15.294 3.300 -30.793 1.00 24.15 H new ATOM 0 HA SER A 36 -17.836 2.888 -29.488 1.00 70.43 H new ATOM 0 HB2 SER A 36 -16.740 5.109 -30.290 1.00 52.45 H new ATOM 0 HB3 SER A 36 -17.251 4.639 -31.899 1.00 52.45 H new ATOM 0 HG SER A 36 -18.790 5.981 -30.672 1.00 4.41 H new ATOM 581 N ALA A 37 -19.275 1.791 -31.213 1.00 33.42 N ATOM 582 CA ALA A 37 -20.043 0.954 -32.127 1.00 52.40 C ATOM 583 C ALA A 37 -20.259 1.657 -33.463 1.00 72.32 C ATOM 584 O ALA A 37 -20.283 1.017 -34.514 1.00 24.31 O ATOM 585 CB ALA A 37 -21.379 0.580 -31.503 1.00 75.23 C ATOM 0 H ALA A 37 -19.771 2.050 -30.360 1.00 33.42 H new ATOM 0 HA ALA A 37 -19.474 0.043 -32.313 1.00 52.40 H new ATOM 0 HB1 ALA A 37 -21.942 -0.045 -32.196 1.00 75.23 H new ATOM 0 HB2 ALA A 37 -21.207 0.031 -30.577 1.00 75.23 H new ATOM 0 HB3 ALA A 37 -21.946 1.486 -31.288 1.00 75.23 H new ATOM 591 N GLU A 38 -20.417 2.976 -33.415 1.00 34.24 N ATOM 592 CA GLU A 38 -20.633 3.764 -34.623 1.00 32.45 C ATOM 593 C GLU A 38 -19.566 3.458 -35.669 1.00 43.13 C ATOM 594 O GLU A 38 -19.859 3.368 -36.861 1.00 2.40 O ATOM 595 CB GLU A 38 -20.626 5.258 -34.292 1.00 31.52 C ATOM 596 CG GLU A 38 -19.326 5.736 -33.667 1.00 53.54 C ATOM 597 CD GLU A 38 -19.424 7.151 -33.129 1.00 71.30 C ATOM 598 OE1 GLU A 38 -20.303 7.403 -32.279 1.00 11.01 O ATOM 599 OE2 GLU A 38 -18.621 8.005 -33.558 1.00 44.13 O ATOM 0 H GLU A 38 -20.400 3.521 -32.553 1.00 34.24 H new ATOM 0 HA GLU A 38 -21.607 3.495 -35.033 1.00 32.45 H new ATOM 0 HB2 GLU A 38 -20.811 5.825 -35.205 1.00 31.52 H new ATOM 0 HB3 GLU A 38 -21.448 5.475 -33.610 1.00 31.52 H new ATOM 0 HG2 GLU A 38 -19.047 5.062 -32.857 1.00 53.54 H new ATOM 0 HG3 GLU A 38 -18.530 5.688 -34.410 1.00 53.54 H new ATOM 606 N GLU A 39 -18.327 3.300 -35.214 1.00 3.20 N ATOM 607 CA GLU A 39 -17.215 3.006 -36.111 1.00 55.42 C ATOM 608 C GLU A 39 -17.007 1.501 -36.245 1.00 33.45 C ATOM 609 O GLU A 39 -16.511 1.019 -37.264 1.00 23.34 O ATOM 610 CB GLU A 39 -15.932 3.667 -35.603 1.00 32.31 C ATOM 611 CG GLU A 39 -14.728 3.425 -36.497 1.00 62.31 C ATOM 612 CD GLU A 39 -13.845 4.650 -36.631 1.00 51.42 C ATOM 613 OE1 GLU A 39 -12.950 4.832 -35.780 1.00 23.24 O ATOM 614 OE2 GLU A 39 -14.049 5.428 -37.587 1.00 34.23 O ATOM 0 H GLU A 39 -18.068 3.371 -34.230 1.00 3.20 H new ATOM 0 HA GLU A 39 -17.458 3.410 -37.094 1.00 55.42 H new ATOM 0 HB2 GLU A 39 -16.097 4.741 -35.513 1.00 32.31 H new ATOM 0 HB3 GLU A 39 -15.712 3.294 -34.603 1.00 32.31 H new ATOM 0 HG2 GLU A 39 -14.140 2.601 -36.093 1.00 62.31 H new ATOM 0 HG3 GLU A 39 -15.070 3.118 -37.486 1.00 62.31 H new ATOM 621 N LEU A 40 -17.390 0.763 -35.208 1.00 62.43 N ATOM 622 CA LEU A 40 -17.245 -0.689 -35.208 1.00 32.11 C ATOM 623 C LEU A 40 -18.523 -1.363 -34.718 1.00 24.42 C ATOM 624 O LEU A 40 -18.626 -1.791 -33.568 1.00 13.52 O ATOM 625 CB LEU A 40 -16.066 -1.104 -34.327 1.00 3.43 C ATOM 626 CG LEU A 40 -15.437 -2.461 -34.642 1.00 22.30 C ATOM 627 CD1 LEU A 40 -14.935 -2.497 -36.077 1.00 43.40 C ATOM 628 CD2 LEU A 40 -14.304 -2.763 -33.671 1.00 55.12 C ATOM 0 H LEU A 40 -17.803 1.146 -34.357 1.00 62.43 H new ATOM 0 HA LEU A 40 -17.056 -1.011 -36.232 1.00 32.11 H new ATOM 0 HB2 LEU A 40 -15.292 -0.340 -34.407 1.00 3.43 H new ATOM 0 HB3 LEU A 40 -16.399 -1.113 -33.289 1.00 3.43 H new ATOM 0 HG LEU A 40 -16.202 -3.229 -34.527 1.00 22.30 H new ATOM 0 HD11 LEU A 40 -14.491 -3.471 -36.283 1.00 43.40 H new ATOM 0 HD12 LEU A 40 -15.769 -2.327 -36.758 1.00 43.40 H new ATOM 0 HD13 LEU A 40 -14.185 -1.719 -36.220 1.00 43.40 H new ATOM 0 HD21 LEU A 40 -13.868 -3.733 -33.911 1.00 55.12 H new ATOM 0 HD22 LEU A 40 -13.539 -1.991 -33.753 1.00 55.12 H new ATOM 0 HD23 LEU A 40 -14.693 -2.781 -32.653 1.00 55.12 H new ATOM 640 N PRO A 41 -19.519 -1.464 -35.610 1.00 62.12 N ATOM 641 CA PRO A 41 -20.806 -2.088 -35.292 1.00 75.31 C ATOM 642 C PRO A 41 -20.689 -3.597 -35.106 1.00 71.23 C ATOM 643 O PRO A 41 -21.586 -4.236 -34.556 1.00 31.00 O ATOM 644 CB PRO A 41 -21.669 -1.766 -36.515 1.00 42.40 C ATOM 645 CG PRO A 41 -20.694 -1.573 -37.626 1.00 35.45 C ATOM 646 CD PRO A 41 -19.465 -0.977 -36.999 1.00 3.22 C ATOM 0 HA PRO A 41 -21.217 -1.717 -34.353 1.00 75.31 H new ATOM 0 HB2 PRO A 41 -22.364 -2.577 -36.734 1.00 42.40 H new ATOM 0 HB3 PRO A 41 -22.267 -0.869 -36.353 1.00 42.40 H new ATOM 0 HG2 PRO A 41 -20.464 -2.521 -38.112 1.00 35.45 H new ATOM 0 HG3 PRO A 41 -21.101 -0.913 -38.392 1.00 35.45 H new ATOM 0 HD2 PRO A 41 -18.557 -1.305 -37.505 1.00 3.22 H new ATOM 0 HD3 PRO A 41 -19.479 0.112 -37.044 1.00 3.22 H new ATOM 654 N ASP A 42 -19.578 -4.161 -35.568 1.00 12.31 N ATOM 655 CA ASP A 42 -19.343 -5.595 -35.451 1.00 21.10 C ATOM 656 C ASP A 42 -18.212 -5.882 -34.468 1.00 50.11 C ATOM 657 O ASP A 42 -17.658 -6.981 -34.448 1.00 25.04 O ATOM 658 CB ASP A 42 -19.010 -6.192 -36.819 1.00 62.11 C ATOM 659 CG ASP A 42 -17.548 -6.024 -37.184 1.00 50.50 C ATOM 660 OD1 ASP A 42 -16.961 -4.984 -36.817 1.00 34.31 O ATOM 661 OD2 ASP A 42 -16.991 -6.931 -37.838 1.00 2.55 O ATOM 0 H ASP A 42 -18.826 -3.647 -36.027 1.00 12.31 H new ATOM 0 HA ASP A 42 -20.255 -6.058 -35.073 1.00 21.10 H new ATOM 0 HB2 ASP A 42 -19.262 -7.252 -36.820 1.00 62.11 H new ATOM 0 HB3 ASP A 42 -19.628 -5.716 -37.580 1.00 62.11 H new ATOM 666 N TYR A 43 -17.875 -4.886 -33.656 1.00 25.51 N ATOM 667 CA TYR A 43 -16.807 -5.030 -32.673 1.00 33.51 C ATOM 668 C TYR A 43 -17.045 -6.248 -31.785 1.00 61.43 C ATOM 669 O TYR A 43 -16.101 -6.917 -31.363 1.00 70.42 O ATOM 670 CB TYR A 43 -16.705 -3.770 -31.812 1.00 61.30 C ATOM 671 CG TYR A 43 -17.789 -3.663 -30.764 1.00 33.22 C ATOM 672 CD1 TYR A 43 -19.121 -3.503 -31.127 1.00 23.41 C ATOM 673 CD2 TYR A 43 -17.482 -3.723 -29.410 1.00 31.01 C ATOM 674 CE1 TYR A 43 -20.114 -3.404 -30.172 1.00 75.44 C ATOM 675 CE2 TYR A 43 -18.470 -3.626 -28.449 1.00 25.45 C ATOM 676 CZ TYR A 43 -19.784 -3.467 -28.835 1.00 0.33 C ATOM 677 OH TYR A 43 -20.771 -3.370 -27.881 1.00 11.11 O ATOM 0 H TYR A 43 -18.325 -3.971 -33.659 1.00 25.51 H new ATOM 0 HA TYR A 43 -15.869 -5.172 -33.210 1.00 33.51 H new ATOM 0 HB2 TYR A 43 -15.733 -3.754 -31.320 1.00 61.30 H new ATOM 0 HB3 TYR A 43 -16.749 -2.894 -32.459 1.00 61.30 H new ATOM 0 HD1 TYR A 43 -19.384 -3.455 -32.173 1.00 23.41 H new ATOM 0 HD2 TYR A 43 -16.454 -3.848 -29.104 1.00 31.01 H new ATOM 0 HE1 TYR A 43 -21.144 -3.278 -30.471 1.00 75.44 H new ATOM 0 HE2 TYR A 43 -18.214 -3.674 -27.401 1.00 25.45 H new ATOM 0 HH TYR A 43 -20.371 -3.434 -26.989 1.00 11.11 H new ATOM 687 N HIS A 44 -18.314 -6.531 -31.506 1.00 45.33 N ATOM 688 CA HIS A 44 -18.677 -7.669 -30.670 1.00 13.12 C ATOM 689 C HIS A 44 -18.277 -8.982 -31.335 1.00 65.11 C ATOM 690 O HIS A 44 -17.863 -9.929 -30.665 1.00 60.34 O ATOM 691 CB HIS A 44 -20.180 -7.663 -30.390 1.00 75.31 C ATOM 692 CG HIS A 44 -20.534 -8.113 -29.006 1.00 22.31 C ATOM 693 ND1 HIS A 44 -20.953 -9.394 -28.715 1.00 24.41 N ATOM 694 CD2 HIS A 44 -20.527 -7.445 -27.829 1.00 11.21 C ATOM 695 CE1 HIS A 44 -21.190 -9.494 -27.419 1.00 60.12 C ATOM 696 NE2 HIS A 44 -20.939 -8.325 -26.859 1.00 0.25 N ATOM 0 H HIS A 44 -19.107 -5.988 -31.847 1.00 45.33 H new ATOM 0 HA HIS A 44 -18.138 -7.582 -29.726 1.00 13.12 H new ATOM 0 HB2 HIS A 44 -20.566 -6.656 -30.545 1.00 75.31 H new ATOM 0 HB3 HIS A 44 -20.678 -8.310 -31.112 1.00 75.31 H new ATOM 0 HD2 HIS A 44 -20.249 -6.412 -27.680 1.00 11.21 H new ATOM 0 HE1 HIS A 44 -21.531 -10.381 -26.905 1.00 60.12 H new ATOM 0 HE2 HIS A 44 -21.036 -8.110 -25.867 1.00 0.25 H new ATOM 704 N THR A 45 -18.402 -9.033 -32.658 1.00 14.34 N ATOM 705 CA THR A 45 -18.056 -10.230 -33.413 1.00 45.42 C ATOM 706 C THR A 45 -16.573 -10.246 -33.768 1.00 10.33 C ATOM 707 O THR A 45 -16.022 -11.285 -34.131 1.00 74.10 O ATOM 708 CB THR A 45 -18.883 -10.336 -34.708 1.00 44.24 C ATOM 709 OG1 THR A 45 -20.021 -9.471 -34.635 1.00 13.23 O ATOM 710 CG2 THR A 45 -19.341 -11.767 -34.942 1.00 30.41 C ATOM 0 H THR A 45 -18.741 -8.258 -33.228 1.00 14.34 H new ATOM 0 HA THR A 45 -18.284 -11.084 -32.774 1.00 45.42 H new ATOM 0 HB THR A 45 -18.251 -10.033 -35.542 1.00 44.24 H new ATOM 0 HG1 THR A 45 -20.540 -9.543 -35.463 1.00 13.23 H new ATOM 0 HG21 THR A 45 -19.923 -11.817 -35.862 1.00 30.41 H new ATOM 0 HG22 THR A 45 -18.471 -12.418 -35.027 1.00 30.41 H new ATOM 0 HG23 THR A 45 -19.958 -12.093 -34.104 1.00 30.41 H new ATOM 718 N VAL A 46 -15.931 -9.087 -33.659 1.00 43.12 N ATOM 719 CA VAL A 46 -14.510 -8.968 -33.967 1.00 34.43 C ATOM 720 C VAL A 46 -13.656 -9.279 -32.743 1.00 45.12 C ATOM 721 O VAL A 46 -12.752 -10.114 -32.801 1.00 12.35 O ATOM 722 CB VAL A 46 -14.163 -7.558 -34.478 1.00 3.43 C ATOM 723 CG1 VAL A 46 -12.668 -7.435 -34.731 1.00 1.42 C ATOM 724 CG2 VAL A 46 -14.953 -7.238 -35.738 1.00 11.15 C ATOM 0 H VAL A 46 -16.372 -8.217 -33.360 1.00 43.12 H new ATOM 0 HA VAL A 46 -14.293 -9.693 -34.751 1.00 34.43 H new ATOM 0 HB VAL A 46 -14.439 -6.835 -33.711 1.00 3.43 H new ATOM 0 HG11 VAL A 46 -12.441 -6.432 -35.092 1.00 1.42 H new ATOM 0 HG12 VAL A 46 -12.126 -7.618 -33.803 1.00 1.42 H new ATOM 0 HG13 VAL A 46 -12.364 -8.167 -35.479 1.00 1.42 H new ATOM 0 HG21 VAL A 46 -14.695 -6.237 -36.085 1.00 11.15 H new ATOM 0 HG22 VAL A 46 -14.711 -7.965 -36.514 1.00 11.15 H new ATOM 0 HG23 VAL A 46 -16.020 -7.282 -35.520 1.00 11.15 H new ATOM 734 N ILE A 47 -13.947 -8.602 -31.638 1.00 21.15 N ATOM 735 CA ILE A 47 -13.206 -8.807 -30.399 1.00 63.13 C ATOM 736 C ILE A 47 -14.096 -9.411 -29.319 1.00 15.31 C ATOM 737 O ILE A 47 -13.667 -10.277 -28.556 1.00 51.15 O ATOM 738 CB ILE A 47 -12.606 -7.488 -29.877 1.00 73.10 C ATOM 739 CG1 ILE A 47 -12.094 -7.667 -28.446 1.00 42.44 C ATOM 740 CG2 ILE A 47 -13.641 -6.375 -29.940 1.00 12.34 C ATOM 741 CD1 ILE A 47 -11.101 -8.798 -28.297 1.00 72.30 C ATOM 0 H ILE A 47 -14.691 -7.907 -31.575 1.00 21.15 H new ATOM 0 HA ILE A 47 -12.396 -9.500 -30.627 1.00 63.13 H new ATOM 0 HB ILE A 47 -11.764 -7.211 -30.512 1.00 73.10 H new ATOM 0 HG12 ILE A 47 -11.627 -6.739 -28.117 1.00 42.44 H new ATOM 0 HG13 ILE A 47 -12.942 -7.849 -27.785 1.00 42.44 H new ATOM 0 HG21 ILE A 47 -13.203 -5.449 -29.568 1.00 12.34 H new ATOM 0 HG22 ILE A 47 -13.963 -6.235 -30.972 1.00 12.34 H new ATOM 0 HG23 ILE A 47 -14.501 -6.642 -29.325 1.00 12.34 H new ATOM 0 HD11 ILE A 47 -10.781 -8.867 -27.257 1.00 72.30 H new ATOM 0 HD12 ILE A 47 -11.570 -9.736 -28.595 1.00 72.30 H new ATOM 0 HD13 ILE A 47 -10.235 -8.608 -28.931 1.00 72.30 H new ATOM 753 N LYS A 48 -15.341 -8.949 -29.260 1.00 1.34 N ATOM 754 CA LYS A 48 -16.295 -9.444 -28.275 1.00 34.20 C ATOM 755 C LYS A 48 -16.013 -8.853 -26.898 1.00 1.33 C ATOM 756 O LYS A 48 -16.899 -8.279 -26.264 1.00 74.44 O ATOM 757 CB LYS A 48 -16.242 -10.972 -28.206 1.00 62.13 C ATOM 758 CG LYS A 48 -17.608 -11.624 -28.080 1.00 11.51 C ATOM 759 CD LYS A 48 -17.838 -12.654 -29.173 1.00 0.40 C ATOM 760 CE LYS A 48 -16.766 -13.733 -29.156 1.00 51.45 C ATOM 761 NZ LYS A 48 -17.137 -14.896 -30.008 1.00 72.24 N ATOM 0 H LYS A 48 -15.713 -8.232 -29.883 1.00 1.34 H new ATOM 0 HA LYS A 48 -17.293 -9.134 -28.586 1.00 34.20 H new ATOM 0 HB2 LYS A 48 -15.749 -11.351 -29.102 1.00 62.13 H new ATOM 0 HB3 LYS A 48 -15.628 -11.268 -27.355 1.00 62.13 H new ATOM 0 HG2 LYS A 48 -17.695 -12.102 -27.104 1.00 11.51 H new ATOM 0 HG3 LYS A 48 -18.383 -10.859 -28.131 1.00 11.51 H new ATOM 0 HD2 LYS A 48 -18.819 -13.112 -29.043 1.00 0.40 H new ATOM 0 HD3 LYS A 48 -17.843 -12.160 -30.145 1.00 0.40 H new ATOM 0 HE2 LYS A 48 -15.823 -13.313 -29.505 1.00 51.45 H new ATOM 0 HE3 LYS A 48 -16.606 -14.070 -28.132 1.00 51.45 H new ATOM 0 HZ1 LYS A 48 -16.381 -15.609 -29.970 1.00 72.24 H new ATOM 0 HZ2 LYS A 48 -18.024 -15.312 -29.660 1.00 72.24 H new ATOM 0 HZ3 LYS A 48 -17.265 -14.580 -30.990 1.00 72.24 H new ATOM 775 N ARG A 49 -14.773 -8.994 -26.441 1.00 20.52 N ATOM 776 CA ARG A 49 -14.374 -8.474 -25.139 1.00 13.33 C ATOM 777 C ARG A 49 -13.524 -7.216 -25.293 1.00 63.33 C ATOM 778 O ARG A 49 -12.309 -7.279 -25.486 1.00 13.52 O ATOM 779 CB ARG A 49 -13.598 -9.535 -24.357 1.00 44.13 C ATOM 780 CG ARG A 49 -14.246 -10.909 -24.387 1.00 61.41 C ATOM 781 CD ARG A 49 -13.539 -11.838 -25.362 1.00 50.44 C ATOM 782 NE ARG A 49 -13.690 -13.241 -24.989 1.00 72.53 N ATOM 783 CZ ARG A 49 -13.127 -13.781 -23.914 1.00 43.02 C ATOM 784 NH1 ARG A 49 -12.379 -13.038 -23.110 1.00 41.11 N ATOM 785 NH2 ARG A 49 -13.311 -15.066 -23.641 1.00 71.33 N ATOM 0 H ARG A 49 -14.027 -9.464 -26.954 1.00 20.52 H new ATOM 0 HA ARG A 49 -15.278 -8.216 -24.587 1.00 13.33 H new ATOM 0 HB2 ARG A 49 -12.590 -9.609 -24.764 1.00 44.13 H new ATOM 0 HB3 ARG A 49 -13.500 -9.211 -23.321 1.00 44.13 H new ATOM 0 HG2 ARG A 49 -14.225 -11.344 -23.388 1.00 61.41 H new ATOM 0 HG3 ARG A 49 -15.294 -10.812 -24.670 1.00 61.41 H new ATOM 0 HD2 ARG A 49 -13.939 -11.684 -26.364 1.00 50.44 H new ATOM 0 HD3 ARG A 49 -12.479 -11.585 -25.400 1.00 50.44 H new ATOM 0 HE ARG A 49 -14.259 -13.840 -25.587 1.00 72.53 H new ATOM 0 HH11 ARG A 49 -12.235 -12.050 -23.316 1.00 41.11 H new ATOM 0 HH12 ARG A 49 -11.948 -13.455 -22.285 1.00 41.11 H new ATOM 0 HH21 ARG A 49 -13.886 -15.641 -24.257 1.00 71.33 H new ATOM 0 HH22 ARG A 49 -12.878 -15.479 -22.815 1.00 71.33 H new ATOM 799 N PRO A 50 -14.175 -6.047 -25.208 1.00 0.11 N ATOM 800 CA PRO A 50 -13.498 -4.753 -25.335 1.00 52.24 C ATOM 801 C PRO A 50 -12.597 -4.450 -24.143 1.00 40.12 C ATOM 802 O PRO A 50 -12.732 -5.056 -23.080 1.00 61.23 O ATOM 803 CB PRO A 50 -14.655 -3.752 -25.399 1.00 61.31 C ATOM 804 CG PRO A 50 -15.781 -4.430 -24.696 1.00 44.55 C ATOM 805 CD PRO A 50 -15.622 -5.898 -24.980 1.00 11.23 C ATOM 0 HA PRO A 50 -12.840 -4.721 -26.203 1.00 52.24 H new ATOM 0 HB2 PRO A 50 -14.393 -2.812 -24.913 1.00 61.31 H new ATOM 0 HB3 PRO A 50 -14.917 -3.515 -26.430 1.00 61.31 H new ATOM 0 HG2 PRO A 50 -15.747 -4.234 -23.624 1.00 44.55 H new ATOM 0 HG3 PRO A 50 -16.743 -4.065 -25.056 1.00 44.55 H new ATOM 0 HD2 PRO A 50 -15.962 -6.508 -24.143 1.00 11.23 H new ATOM 0 HD3 PRO A 50 -16.200 -6.203 -25.852 1.00 11.23 H new ATOM 813 N VAL A 51 -11.677 -3.508 -24.327 1.00 13.24 N ATOM 814 CA VAL A 51 -10.755 -3.123 -23.265 1.00 64.33 C ATOM 815 C VAL A 51 -10.911 -1.650 -22.908 1.00 14.51 C ATOM 816 O VAL A 51 -10.899 -0.783 -23.783 1.00 33.43 O ATOM 817 CB VAL A 51 -9.292 -3.389 -23.669 1.00 73.52 C ATOM 818 CG1 VAL A 51 -8.980 -2.736 -25.007 1.00 11.23 C ATOM 819 CG2 VAL A 51 -8.343 -2.893 -22.589 1.00 41.13 C ATOM 0 H VAL A 51 -11.551 -2.998 -25.201 1.00 13.24 H new ATOM 0 HA VAL A 51 -11.002 -3.732 -22.396 1.00 64.33 H new ATOM 0 HB VAL A 51 -9.152 -4.465 -23.776 1.00 73.52 H new ATOM 0 HG11 VAL A 51 -7.942 -2.935 -25.276 1.00 11.23 H new ATOM 0 HG12 VAL A 51 -9.638 -3.145 -25.774 1.00 11.23 H new ATOM 0 HG13 VAL A 51 -9.136 -1.660 -24.932 1.00 11.23 H new ATOM 0 HG21 VAL A 51 -7.314 -3.089 -22.891 1.00 41.13 H new ATOM 0 HG22 VAL A 51 -8.482 -1.821 -22.447 1.00 41.13 H new ATOM 0 HG23 VAL A 51 -8.552 -3.413 -21.654 1.00 41.13 H new ATOM 829 N ASP A 52 -11.058 -1.372 -21.617 1.00 51.01 N ATOM 830 CA ASP A 52 -11.216 -0.002 -21.143 1.00 22.03 C ATOM 831 C ASP A 52 -10.259 0.288 -19.991 1.00 22.44 C ATOM 832 O ASP A 52 -9.828 -0.624 -19.283 1.00 63.13 O ATOM 833 CB ASP A 52 -12.658 0.243 -20.698 1.00 14.41 C ATOM 834 CG ASP A 52 -13.105 -0.726 -19.621 1.00 71.23 C ATOM 835 OD1 ASP A 52 -13.096 -1.948 -19.882 1.00 2.24 O ATOM 836 OD2 ASP A 52 -13.463 -0.263 -18.518 1.00 72.43 O ATOM 0 H ASP A 52 -11.071 -2.077 -20.880 1.00 51.01 H new ATOM 0 HA ASP A 52 -10.979 0.671 -21.967 1.00 22.03 H new ATOM 0 HB2 ASP A 52 -12.752 1.263 -20.326 1.00 14.41 H new ATOM 0 HB3 ASP A 52 -13.321 0.155 -21.559 1.00 14.41 H new ATOM 841 N LEU A 53 -9.929 1.562 -19.808 1.00 35.50 N ATOM 842 CA LEU A 53 -9.022 1.972 -18.742 1.00 31.01 C ATOM 843 C LEU A 53 -9.630 1.692 -17.371 1.00 72.14 C ATOM 844 O LEU A 53 -8.917 1.393 -16.414 1.00 4.21 O ATOM 845 CB LEU A 53 -8.692 3.460 -18.871 1.00 64.14 C ATOM 846 CG LEU A 53 -7.697 4.018 -17.852 1.00 73.34 C ATOM 847 CD1 LEU A 53 -6.303 3.469 -18.112 1.00 2.31 C ATOM 848 CD2 LEU A 53 -7.690 5.539 -17.892 1.00 31.10 C ATOM 0 H LEU A 53 -10.276 2.329 -20.384 1.00 35.50 H new ATOM 0 HA LEU A 53 -8.104 1.392 -18.837 1.00 31.01 H new ATOM 0 HB2 LEU A 53 -8.296 3.638 -19.871 1.00 64.14 H new ATOM 0 HB3 LEU A 53 -9.620 4.026 -18.790 1.00 64.14 H new ATOM 0 HG LEU A 53 -8.009 3.702 -16.857 1.00 73.34 H new ATOM 0 HD11 LEU A 53 -5.609 3.877 -17.378 1.00 2.31 H new ATOM 0 HD12 LEU A 53 -6.319 2.382 -18.032 1.00 2.31 H new ATOM 0 HD13 LEU A 53 -5.981 3.754 -19.113 1.00 2.31 H new ATOM 0 HD21 LEU A 53 -6.977 5.919 -17.161 1.00 31.10 H new ATOM 0 HD22 LEU A 53 -7.403 5.875 -18.888 1.00 31.10 H new ATOM 0 HD23 LEU A 53 -8.686 5.914 -17.656 1.00 31.10 H new ATOM 860 N SER A 54 -10.953 1.788 -17.286 1.00 11.54 N ATOM 861 CA SER A 54 -11.658 1.547 -16.032 1.00 5.11 C ATOM 862 C SER A 54 -11.542 0.084 -15.617 1.00 22.52 C ATOM 863 O SER A 54 -11.420 -0.230 -14.433 1.00 13.44 O ATOM 864 CB SER A 54 -13.131 1.936 -16.167 1.00 70.43 C ATOM 865 OG SER A 54 -13.323 2.840 -17.241 1.00 75.55 O ATOM 0 H SER A 54 -11.558 2.031 -18.070 1.00 11.54 H new ATOM 0 HA SER A 54 -11.197 2.163 -15.260 1.00 5.11 H new ATOM 0 HB2 SER A 54 -13.733 1.042 -16.328 1.00 70.43 H new ATOM 0 HB3 SER A 54 -13.477 2.390 -15.239 1.00 70.43 H new ATOM 0 HG SER A 54 -14.273 3.072 -17.308 1.00 75.55 H new ATOM 871 N SER A 55 -11.581 -0.809 -16.601 1.00 44.01 N ATOM 872 CA SER A 55 -11.484 -2.240 -16.339 1.00 71.33 C ATOM 873 C SER A 55 -10.170 -2.578 -15.642 1.00 2.42 C ATOM 874 O SER A 55 -10.117 -3.466 -14.791 1.00 5.23 O ATOM 875 CB SER A 55 -11.598 -3.028 -17.646 1.00 1.11 C ATOM 876 OG SER A 55 -10.828 -4.217 -17.593 1.00 54.24 O ATOM 0 H SER A 55 -11.679 -0.567 -17.587 1.00 44.01 H new ATOM 0 HA SER A 55 -12.306 -2.520 -15.681 1.00 71.33 H new ATOM 0 HB2 SER A 55 -12.643 -3.275 -17.835 1.00 1.11 H new ATOM 0 HB3 SER A 55 -11.261 -2.409 -18.478 1.00 1.11 H new ATOM 0 HG SER A 55 -10.919 -4.703 -18.439 1.00 54.24 H new ATOM 882 N ILE A 56 -9.112 -1.862 -16.009 1.00 20.21 N ATOM 883 CA ILE A 56 -7.798 -2.084 -15.418 1.00 60.34 C ATOM 884 C ILE A 56 -7.813 -1.800 -13.920 1.00 74.23 C ATOM 885 O ILE A 56 -7.313 -2.593 -13.123 1.00 22.14 O ATOM 886 CB ILE A 56 -6.725 -1.204 -16.085 1.00 41.45 C ATOM 887 CG1 ILE A 56 -6.602 -1.549 -17.571 1.00 2.00 C ATOM 888 CG2 ILE A 56 -5.386 -1.376 -15.383 1.00 74.42 C ATOM 889 CD1 ILE A 56 -6.144 -2.968 -17.825 1.00 74.25 C ATOM 0 H ILE A 56 -9.139 -1.124 -16.712 1.00 20.21 H new ATOM 0 HA ILE A 56 -7.551 -3.133 -15.584 1.00 60.34 H new ATOM 0 HB ILE A 56 -7.027 -0.160 -15.997 1.00 41.45 H new ATOM 0 HG12 ILE A 56 -7.568 -1.396 -18.053 1.00 2.00 H new ATOM 0 HG13 ILE A 56 -5.899 -0.860 -18.039 1.00 2.00 H new ATOM 0 HG21 ILE A 56 -4.638 -0.747 -15.867 1.00 74.42 H new ATOM 0 HG22 ILE A 56 -5.483 -1.085 -14.337 1.00 74.42 H new ATOM 0 HG23 ILE A 56 -5.076 -2.419 -15.442 1.00 74.42 H new ATOM 0 HD11 ILE A 56 -6.079 -3.143 -18.899 1.00 74.25 H new ATOM 0 HD12 ILE A 56 -5.164 -3.121 -17.373 1.00 74.25 H new ATOM 0 HD13 ILE A 56 -6.858 -3.665 -17.387 1.00 74.25 H new ATOM 901 N ARG A 57 -8.393 -0.665 -13.545 1.00 1.41 N ATOM 902 CA ARG A 57 -8.474 -0.276 -12.142 1.00 55.11 C ATOM 903 C ARG A 57 -9.181 -1.350 -11.320 1.00 60.25 C ATOM 904 O ARG A 57 -8.784 -1.644 -10.193 1.00 32.43 O ATOM 905 CB ARG A 57 -9.213 1.056 -12.002 1.00 52.42 C ATOM 906 CG ARG A 57 -9.255 1.583 -10.577 1.00 31.20 C ATOM 907 CD ARG A 57 -10.517 1.136 -9.855 1.00 42.20 C ATOM 908 NE ARG A 57 -11.451 2.240 -9.652 1.00 54.05 N ATOM 909 CZ ARG A 57 -12.642 2.099 -9.081 1.00 11.22 C ATOM 910 NH1 ARG A 57 -13.041 0.908 -8.657 1.00 30.01 N ATOM 911 NH2 ARG A 57 -13.436 3.152 -8.932 1.00 34.43 N ATOM 0 H ARG A 57 -8.814 0.001 -14.193 1.00 1.41 H new ATOM 0 HA ARG A 57 -7.458 -0.162 -11.763 1.00 55.11 H new ATOM 0 HB2 ARG A 57 -8.732 1.797 -12.640 1.00 52.42 H new ATOM 0 HB3 ARG A 57 -10.233 0.936 -12.366 1.00 52.42 H new ATOM 0 HG2 ARG A 57 -8.379 1.232 -10.032 1.00 31.20 H new ATOM 0 HG3 ARG A 57 -9.208 2.672 -10.589 1.00 31.20 H new ATOM 0 HD2 ARG A 57 -11.005 0.350 -10.431 1.00 42.20 H new ATOM 0 HD3 ARG A 57 -10.249 0.705 -8.890 1.00 42.20 H new ATOM 0 HE ARG A 57 -11.174 3.170 -9.966 1.00 54.05 H new ATOM 0 HH11 ARG A 57 -12.433 0.097 -8.769 1.00 30.01 H new ATOM 0 HH12 ARG A 57 -13.956 0.803 -8.219 1.00 30.01 H new ATOM 0 HH21 ARG A 57 -13.132 4.070 -9.256 1.00 34.43 H new ATOM 0 HH22 ARG A 57 -14.350 3.043 -8.493 1.00 34.43 H new ATOM 925 N ASP A 58 -10.229 -1.931 -11.893 1.00 73.50 N ATOM 926 CA ASP A 58 -10.991 -2.973 -11.214 1.00 70.43 C ATOM 927 C ASP A 58 -10.197 -4.275 -11.154 1.00 13.23 C ATOM 928 O ASP A 58 -10.212 -4.976 -10.143 1.00 74.53 O ATOM 929 CB ASP A 58 -12.324 -3.207 -11.928 1.00 23.25 C ATOM 930 CG ASP A 58 -13.235 -4.145 -11.160 1.00 3.44 C ATOM 931 OD1 ASP A 58 -13.922 -3.674 -10.229 1.00 33.10 O ATOM 932 OD2 ASP A 58 -13.261 -5.348 -11.490 1.00 22.54 O ATOM 0 H ASP A 58 -10.570 -1.698 -12.826 1.00 73.50 H new ATOM 0 HA ASP A 58 -11.187 -2.640 -10.195 1.00 70.43 H new ATOM 0 HB2 ASP A 58 -12.829 -2.252 -12.072 1.00 23.25 H new ATOM 0 HB3 ASP A 58 -12.135 -3.619 -12.919 1.00 23.25 H new ATOM 937 N GLY A 59 -9.505 -4.591 -12.244 1.00 22.32 N ATOM 938 CA GLY A 59 -8.716 -5.808 -12.294 1.00 62.21 C ATOM 939 C GLY A 59 -7.630 -5.839 -11.237 1.00 31.43 C ATOM 940 O GLY A 59 -7.371 -6.882 -10.634 1.00 53.42 O ATOM 0 H GLY A 59 -9.477 -4.026 -13.093 1.00 22.32 H new ATOM 0 HA2 GLY A 59 -9.372 -6.668 -12.162 1.00 62.21 H new ATOM 0 HA3 GLY A 59 -8.262 -5.902 -13.280 1.00 62.21 H new ATOM 944 N ILE A 60 -6.993 -4.696 -11.012 1.00 5.42 N ATOM 945 CA ILE A 60 -5.929 -4.597 -10.020 1.00 45.25 C ATOM 946 C ILE A 60 -6.473 -4.789 -8.609 1.00 63.20 C ATOM 947 O ILE A 60 -5.904 -5.533 -7.810 1.00 42.35 O ATOM 948 CB ILE A 60 -5.209 -3.237 -10.100 1.00 70.44 C ATOM 949 CG1 ILE A 60 -4.540 -3.070 -11.466 1.00 5.41 C ATOM 950 CG2 ILE A 60 -4.184 -3.114 -8.983 1.00 61.30 C ATOM 951 CD1 ILE A 60 -3.427 -4.063 -11.719 1.00 41.44 C ATOM 0 H ILE A 60 -7.195 -3.825 -11.503 1.00 5.42 H new ATOM 0 HA ILE A 60 -5.216 -5.390 -10.243 1.00 45.25 H new ATOM 0 HB ILE A 60 -5.946 -2.444 -9.978 1.00 70.44 H new ATOM 0 HG12 ILE A 60 -5.294 -3.175 -12.246 1.00 5.41 H new ATOM 0 HG13 ILE A 60 -4.139 -2.059 -11.544 1.00 5.41 H new ATOM 0 HG21 ILE A 60 -3.684 -2.148 -9.053 1.00 61.30 H new ATOM 0 HG22 ILE A 60 -4.686 -3.194 -8.019 1.00 61.30 H new ATOM 0 HG23 ILE A 60 -3.447 -3.912 -9.076 1.00 61.30 H new ATOM 0 HD11 ILE A 60 -2.999 -3.886 -12.705 1.00 41.44 H new ATOM 0 HD12 ILE A 60 -2.653 -3.943 -10.961 1.00 41.44 H new ATOM 0 HD13 ILE A 60 -3.826 -5.076 -11.673 1.00 41.44 H new ATOM 963 N GLU A 61 -7.579 -4.115 -8.310 1.00 3.11 N ATOM 964 CA GLU A 61 -8.200 -4.213 -6.994 1.00 71.15 C ATOM 965 C GLU A 61 -8.754 -5.615 -6.758 1.00 23.25 C ATOM 966 O GLU A 61 -8.901 -6.053 -5.616 1.00 43.31 O ATOM 967 CB GLU A 61 -9.321 -3.180 -6.857 1.00 61.41 C ATOM 968 CG GLU A 61 -8.819 -1.766 -6.619 1.00 34.15 C ATOM 969 CD GLU A 61 -9.078 -1.286 -5.204 1.00 33.24 C ATOM 970 OE1 GLU A 61 -8.666 -1.985 -4.255 1.00 3.04 O ATOM 971 OE2 GLU A 61 -9.694 -0.211 -5.046 1.00 3.12 O ATOM 0 H GLU A 61 -8.063 -3.496 -8.960 1.00 3.11 H new ATOM 0 HA GLU A 61 -7.436 -4.011 -6.243 1.00 71.15 H new ATOM 0 HB2 GLU A 61 -9.929 -3.193 -7.762 1.00 61.41 H new ATOM 0 HB3 GLU A 61 -9.972 -3.469 -6.032 1.00 61.41 H new ATOM 0 HG2 GLU A 61 -7.749 -1.725 -6.822 1.00 34.15 H new ATOM 0 HG3 GLU A 61 -9.303 -1.089 -7.323 1.00 34.15 H new ATOM 978 N LYS A 62 -9.060 -6.315 -7.844 1.00 61.44 N ATOM 979 CA LYS A 62 -9.597 -7.668 -7.758 1.00 22.35 C ATOM 980 C LYS A 62 -8.498 -8.669 -7.415 1.00 3.12 C ATOM 981 O LYS A 62 -8.761 -9.856 -7.230 1.00 74.33 O ATOM 982 CB LYS A 62 -10.264 -8.060 -9.078 1.00 12.02 C ATOM 983 CG LYS A 62 -11.594 -7.366 -9.316 1.00 71.15 C ATOM 984 CD LYS A 62 -12.741 -8.119 -8.663 1.00 1.55 C ATOM 985 CE LYS A 62 -13.933 -7.208 -8.411 1.00 20.15 C ATOM 986 NZ LYS A 62 -15.160 -7.982 -8.074 1.00 53.45 N ATOM 0 H LYS A 62 -8.945 -5.967 -8.796 1.00 61.44 H new ATOM 0 HA LYS A 62 -10.342 -7.686 -6.963 1.00 22.35 H new ATOM 0 HB2 LYS A 62 -9.589 -7.825 -9.901 1.00 12.02 H new ATOM 0 HB3 LYS A 62 -10.419 -9.139 -9.091 1.00 12.02 H new ATOM 0 HG2 LYS A 62 -11.552 -6.351 -8.920 1.00 71.15 H new ATOM 0 HG3 LYS A 62 -11.775 -7.283 -10.388 1.00 71.15 H new ATOM 0 HD2 LYS A 62 -13.044 -8.948 -9.302 1.00 1.55 H new ATOM 0 HD3 LYS A 62 -12.405 -8.550 -7.720 1.00 1.55 H new ATOM 0 HE2 LYS A 62 -13.701 -6.523 -7.596 1.00 20.15 H new ATOM 0 HE3 LYS A 62 -14.119 -6.600 -9.296 1.00 20.15 H new ATOM 0 HZ1 LYS A 62 -15.950 -7.326 -7.909 1.00 53.45 H new ATOM 0 HZ2 LYS A 62 -15.397 -8.618 -8.862 1.00 53.45 H new ATOM 0 HZ3 LYS A 62 -14.991 -8.543 -7.215 1.00 53.45 H new ATOM 1000 N GLY A 63 -7.264 -8.180 -7.330 1.00 20.21 N ATOM 1001 CA GLY A 63 -6.144 -9.045 -7.008 1.00 30.20 C ATOM 1002 C GLY A 63 -5.436 -9.561 -8.245 1.00 4.11 C ATOM 1003 O GLY A 63 -4.847 -10.643 -8.228 1.00 13.33 O ATOM 0 H GLY A 63 -7.020 -7.201 -7.478 1.00 20.21 H new ATOM 0 HA2 GLY A 63 -5.433 -8.499 -6.388 1.00 30.20 H new ATOM 0 HA3 GLY A 63 -6.499 -9.890 -6.417 1.00 30.20 H new ATOM 1007 N THR A 64 -5.492 -8.786 -9.324 1.00 32.22 N ATOM 1008 CA THR A 64 -4.854 -9.172 -10.576 1.00 2.21 C ATOM 1009 C THR A 64 -5.571 -10.354 -11.217 1.00 64.42 C ATOM 1010 O THR A 64 -4.955 -11.379 -11.514 1.00 54.24 O ATOM 1011 CB THR A 64 -3.373 -9.538 -10.362 1.00 30.21 C ATOM 1012 OG1 THR A 64 -2.756 -8.590 -9.484 1.00 23.31 O ATOM 1013 CG2 THR A 64 -2.627 -9.571 -11.687 1.00 44.51 C ATOM 0 H THR A 64 -5.973 -7.887 -9.355 1.00 32.22 H new ATOM 0 HA THR A 64 -4.915 -8.310 -11.241 1.00 2.21 H new ATOM 0 HB THR A 64 -3.328 -10.530 -9.913 1.00 30.21 H new ATOM 0 HG1 THR A 64 -1.787 -8.733 -9.477 1.00 23.31 H new ATOM 0 HG21 THR A 64 -1.583 -9.832 -11.511 1.00 44.51 H new ATOM 0 HG22 THR A 64 -3.081 -10.315 -12.342 1.00 44.51 H new ATOM 0 HG23 THR A 64 -2.681 -8.590 -12.160 1.00 44.51 H new ATOM 1021 N TYR A 65 -6.874 -10.206 -11.429 1.00 24.32 N ATOM 1022 CA TYR A 65 -7.675 -11.264 -12.034 1.00 3.32 C ATOM 1023 C TYR A 65 -7.805 -12.456 -11.091 1.00 14.45 C ATOM 1024 O TYR A 65 -8.835 -12.638 -10.443 1.00 35.45 O ATOM 1025 CB TYR A 65 -7.050 -11.712 -13.356 1.00 55.14 C ATOM 1026 CG TYR A 65 -7.899 -11.391 -14.566 1.00 41.40 C ATOM 1027 CD1 TYR A 65 -9.074 -12.086 -14.820 1.00 34.35 C ATOM 1028 CD2 TYR A 65 -7.525 -10.390 -15.455 1.00 31.10 C ATOM 1029 CE1 TYR A 65 -9.852 -11.797 -15.924 1.00 0.52 C ATOM 1030 CE2 TYR A 65 -8.297 -10.092 -16.561 1.00 74.52 C ATOM 1031 CZ TYR A 65 -9.459 -10.799 -16.792 1.00 15.35 C ATOM 1032 OH TYR A 65 -10.232 -10.506 -17.892 1.00 31.00 O ATOM 0 H TYR A 65 -7.398 -9.364 -11.191 1.00 24.32 H new ATOM 0 HA TYR A 65 -8.671 -10.866 -12.226 1.00 3.32 H new ATOM 0 HB2 TYR A 65 -6.077 -11.235 -13.468 1.00 55.14 H new ATOM 0 HB3 TYR A 65 -6.875 -12.787 -13.320 1.00 55.14 H new ATOM 0 HD1 TYR A 65 -9.385 -12.867 -14.142 1.00 34.35 H new ATOM 0 HD2 TYR A 65 -6.615 -9.836 -15.278 1.00 31.10 H new ATOM 0 HE1 TYR A 65 -10.762 -12.349 -16.107 1.00 0.52 H new ATOM 0 HE2 TYR A 65 -7.993 -9.310 -17.241 1.00 74.52 H new ATOM 0 HH TYR A 65 -9.816 -9.778 -18.400 1.00 31.00 H new ATOM 1042 N ALA A 66 -6.753 -13.264 -11.019 1.00 43.42 N ATOM 1043 CA ALA A 66 -6.747 -14.437 -10.154 1.00 12.41 C ATOM 1044 C ALA A 66 -5.351 -15.041 -10.058 1.00 24.33 C ATOM 1045 O ALA A 66 -4.889 -15.395 -8.972 1.00 61.42 O ATOM 1046 CB ALA A 66 -7.739 -15.472 -10.663 1.00 30.24 C ATOM 0 H ALA A 66 -5.893 -13.128 -11.550 1.00 43.42 H new ATOM 0 HA ALA A 66 -7.047 -14.123 -9.154 1.00 12.41 H new ATOM 0 HB1 ALA A 66 -7.724 -16.343 -10.008 1.00 30.24 H new ATOM 0 HB2 ALA A 66 -8.741 -15.042 -10.673 1.00 30.24 H new ATOM 0 HB3 ALA A 66 -7.464 -15.774 -11.674 1.00 30.24 H new ATOM 1052 N THR A 67 -4.681 -15.158 -11.200 1.00 72.03 N ATOM 1053 CA THR A 67 -3.338 -15.722 -11.245 1.00 40.20 C ATOM 1054 C THR A 67 -2.653 -15.405 -12.569 1.00 64.34 C ATOM 1055 O THR A 67 -3.204 -14.695 -13.411 1.00 31.35 O ATOM 1056 CB THR A 67 -3.363 -17.249 -11.045 1.00 3.11 C ATOM 1057 OG1 THR A 67 -4.715 -17.709 -10.950 1.00 14.43 O ATOM 1058 CG2 THR A 67 -2.598 -17.643 -9.790 1.00 14.42 C ATOM 0 H THR A 67 -5.047 -14.869 -12.107 1.00 72.03 H new ATOM 0 HA THR A 67 -2.776 -15.266 -10.430 1.00 40.20 H new ATOM 0 HB THR A 67 -2.882 -17.714 -11.906 1.00 3.11 H new ATOM 0 HG1 THR A 67 -4.722 -18.681 -10.825 1.00 14.43 H new ATOM 0 HG21 THR A 67 -2.630 -18.726 -9.670 1.00 14.42 H new ATOM 0 HG22 THR A 67 -1.561 -17.318 -9.879 1.00 14.42 H new ATOM 0 HG23 THR A 67 -3.054 -17.168 -8.922 1.00 14.42 H new ATOM 1066 N ASP A 68 -1.448 -15.937 -12.749 1.00 14.43 N ATOM 1067 CA ASP A 68 -0.688 -15.712 -13.973 1.00 31.04 C ATOM 1068 C ASP A 68 -1.446 -16.238 -15.188 1.00 12.25 C ATOM 1069 O ASP A 68 -1.227 -15.787 -16.312 1.00 32.00 O ATOM 1070 CB ASP A 68 0.681 -16.387 -13.879 1.00 21.20 C ATOM 1071 CG ASP A 68 0.619 -17.868 -14.197 1.00 22.33 C ATOM 1072 OD1 ASP A 68 0.683 -18.222 -15.393 1.00 24.11 O ATOM 1073 OD2 ASP A 68 0.508 -18.674 -13.249 1.00 55.32 O ATOM 0 H ASP A 68 -0.977 -16.527 -12.063 1.00 14.43 H new ATOM 0 HA ASP A 68 -0.548 -14.638 -14.092 1.00 31.04 H new ATOM 0 HB2 ASP A 68 1.371 -15.899 -14.567 1.00 21.20 H new ATOM 0 HB3 ASP A 68 1.082 -16.250 -12.875 1.00 21.20 H new ATOM 1078 N VAL A 69 -2.338 -17.195 -14.953 1.00 73.03 N ATOM 1079 CA VAL A 69 -3.129 -17.783 -16.028 1.00 52.41 C ATOM 1080 C VAL A 69 -4.165 -16.794 -16.552 1.00 45.13 C ATOM 1081 O VAL A 69 -4.253 -16.552 -17.756 1.00 74.32 O ATOM 1082 CB VAL A 69 -3.848 -19.062 -15.561 1.00 61.31 C ATOM 1083 CG1 VAL A 69 -4.749 -19.601 -16.662 1.00 1.12 C ATOM 1084 CG2 VAL A 69 -2.837 -20.113 -15.127 1.00 44.40 C ATOM 0 H VAL A 69 -2.531 -17.580 -14.028 1.00 73.03 H new ATOM 0 HA VAL A 69 -2.435 -18.037 -16.829 1.00 52.41 H new ATOM 0 HB VAL A 69 -4.472 -18.814 -14.702 1.00 61.31 H new ATOM 0 HG11 VAL A 69 -5.249 -20.505 -16.313 1.00 1.12 H new ATOM 0 HG12 VAL A 69 -5.496 -18.851 -16.921 1.00 1.12 H new ATOM 0 HG13 VAL A 69 -4.149 -19.834 -17.542 1.00 1.12 H new ATOM 0 HG21 VAL A 69 -3.363 -21.010 -14.800 1.00 44.40 H new ATOM 0 HG22 VAL A 69 -2.186 -20.359 -15.965 1.00 44.40 H new ATOM 0 HG23 VAL A 69 -2.238 -19.723 -14.304 1.00 44.40 H new ATOM 1094 N ASP A 70 -4.945 -16.225 -15.641 1.00 12.43 N ATOM 1095 CA ASP A 70 -5.974 -15.260 -16.010 1.00 54.14 C ATOM 1096 C ASP A 70 -5.350 -13.996 -16.594 1.00 33.11 C ATOM 1097 O ASP A 70 -5.856 -13.433 -17.565 1.00 3.32 O ATOM 1098 CB ASP A 70 -6.832 -14.906 -14.794 1.00 41.44 C ATOM 1099 CG ASP A 70 -7.969 -15.885 -14.583 1.00 32.43 C ATOM 1100 OD1 ASP A 70 -7.833 -17.053 -15.004 1.00 71.24 O ATOM 1101 OD2 ASP A 70 -8.995 -15.485 -13.995 1.00 12.44 O ATOM 0 H ASP A 70 -4.885 -16.415 -14.641 1.00 12.43 H new ATOM 0 HA ASP A 70 -6.608 -15.715 -16.771 1.00 54.14 H new ATOM 0 HB2 ASP A 70 -6.204 -14.886 -13.903 1.00 41.44 H new ATOM 0 HB3 ASP A 70 -7.239 -13.903 -14.920 1.00 41.44 H new ATOM 1106 N VAL A 71 -4.249 -13.555 -15.994 1.00 41.03 N ATOM 1107 CA VAL A 71 -3.555 -12.358 -16.454 1.00 54.32 C ATOM 1108 C VAL A 71 -2.947 -12.571 -17.836 1.00 31.53 C ATOM 1109 O VAL A 71 -3.016 -11.695 -18.697 1.00 32.12 O ATOM 1110 CB VAL A 71 -2.442 -11.942 -15.474 1.00 34.41 C ATOM 1111 CG1 VAL A 71 -1.654 -10.765 -16.028 1.00 35.21 C ATOM 1112 CG2 VAL A 71 -3.031 -11.607 -14.112 1.00 23.03 C ATOM 0 H VAL A 71 -3.818 -14.009 -15.188 1.00 41.03 H new ATOM 0 HA VAL A 71 -4.298 -11.563 -16.506 1.00 54.32 H new ATOM 0 HB VAL A 71 -1.757 -12.781 -15.352 1.00 34.41 H new ATOM 0 HG11 VAL A 71 -0.872 -10.486 -15.322 1.00 35.21 H new ATOM 0 HG12 VAL A 71 -1.201 -11.046 -16.979 1.00 35.21 H new ATOM 0 HG13 VAL A 71 -2.324 -9.919 -16.181 1.00 35.21 H new ATOM 0 HG21 VAL A 71 -2.231 -11.315 -13.432 1.00 23.03 H new ATOM 0 HG22 VAL A 71 -3.739 -10.784 -14.214 1.00 23.03 H new ATOM 0 HG23 VAL A 71 -3.546 -12.481 -13.713 1.00 23.03 H new ATOM 1122 N GLN A 72 -2.352 -13.742 -18.039 1.00 61.34 N ATOM 1123 CA GLN A 72 -1.731 -14.071 -19.317 1.00 40.11 C ATOM 1124 C GLN A 72 -2.767 -14.095 -20.436 1.00 13.02 C ATOM 1125 O GLN A 72 -2.561 -13.511 -21.499 1.00 21.13 O ATOM 1126 CB GLN A 72 -1.024 -15.425 -19.231 1.00 52.24 C ATOM 1127 CG GLN A 72 -0.536 -15.942 -20.575 1.00 23.23 C ATOM 1128 CD GLN A 72 -1.353 -17.114 -21.081 1.00 20.42 C ATOM 1129 OE1 GLN A 72 -1.877 -17.905 -20.296 1.00 74.32 O ATOM 1130 NE2 GLN A 72 -1.466 -17.233 -22.399 1.00 11.44 N ATOM 0 H GLN A 72 -2.287 -14.478 -17.336 1.00 61.34 H new ATOM 0 HA GLN A 72 -0.996 -13.299 -19.544 1.00 40.11 H new ATOM 0 HB2 GLN A 72 -0.174 -15.340 -18.553 1.00 52.24 H new ATOM 0 HB3 GLN A 72 -1.707 -16.155 -18.796 1.00 52.24 H new ATOM 0 HG2 GLN A 72 -0.574 -15.135 -21.306 1.00 23.23 H new ATOM 0 HG3 GLN A 72 0.508 -16.243 -20.487 1.00 23.23 H new ATOM 0 HE21 GLN A 72 -1.015 -16.555 -23.013 1.00 11.44 H new ATOM 0 HE22 GLN A 72 -2.004 -18.003 -22.797 1.00 11.44 H new ATOM 1139 N ASN A 73 -3.882 -14.775 -20.188 1.00 53.24 N ATOM 1140 CA ASN A 73 -4.951 -14.876 -21.176 1.00 1.33 C ATOM 1141 C ASN A 73 -5.532 -13.501 -21.491 1.00 12.24 C ATOM 1142 O ASN A 73 -5.745 -13.157 -22.653 1.00 72.04 O ATOM 1143 CB ASN A 73 -6.056 -15.805 -20.669 1.00 23.02 C ATOM 1144 CG ASN A 73 -6.291 -16.982 -21.595 1.00 70.42 C ATOM 1145 OD1 ASN A 73 -6.078 -16.888 -22.804 1.00 52.40 O ATOM 1146 ND2 ASN A 73 -6.733 -18.100 -21.031 1.00 22.25 N ATOM 0 H ASN A 73 -4.069 -15.264 -19.312 1.00 53.24 H new ATOM 0 HA ASN A 73 -4.528 -15.291 -22.091 1.00 1.33 H new ATOM 0 HB2 ASN A 73 -5.791 -16.173 -19.678 1.00 23.02 H new ATOM 0 HB3 ASN A 73 -6.982 -15.240 -20.562 1.00 23.02 H new ATOM 0 HD21 ASN A 73 -6.909 -18.925 -21.604 1.00 22.25 H new ATOM 0 HD22 ASN A 73 -6.896 -18.134 -20.025 1.00 22.25 H new ATOM 1153 N ASP A 74 -5.786 -12.719 -20.447 1.00 42.21 N ATOM 1154 CA ASP A 74 -6.341 -11.380 -20.612 1.00 22.33 C ATOM 1155 C ASP A 74 -5.435 -10.520 -21.487 1.00 61.33 C ATOM 1156 O ASP A 74 -5.890 -9.899 -22.448 1.00 30.30 O ATOM 1157 CB ASP A 74 -6.535 -10.714 -19.249 1.00 30.45 C ATOM 1158 CG ASP A 74 -6.669 -9.208 -19.354 1.00 1.01 C ATOM 1159 OD1 ASP A 74 -7.397 -8.738 -20.254 1.00 24.12 O ATOM 1160 OD2 ASP A 74 -6.047 -8.499 -18.536 1.00 3.10 O ATOM 0 H ASP A 74 -5.617 -12.989 -19.478 1.00 42.21 H new ATOM 0 HA ASP A 74 -7.309 -11.473 -21.104 1.00 22.33 H new ATOM 0 HB2 ASP A 74 -7.426 -11.123 -18.772 1.00 30.45 H new ATOM 0 HB3 ASP A 74 -5.689 -10.957 -18.606 1.00 30.45 H new ATOM 1165 N VAL A 75 -4.150 -10.488 -21.148 1.00 40.24 N ATOM 1166 CA VAL A 75 -3.180 -9.704 -21.903 1.00 63.04 C ATOM 1167 C VAL A 75 -3.145 -10.133 -23.366 1.00 33.22 C ATOM 1168 O VAL A 75 -3.140 -9.297 -24.269 1.00 24.03 O ATOM 1169 CB VAL A 75 -1.766 -9.836 -21.307 1.00 64.44 C ATOM 1170 CG1 VAL A 75 -0.760 -9.057 -22.141 1.00 24.50 C ATOM 1171 CG2 VAL A 75 -1.751 -9.365 -19.861 1.00 51.22 C ATOM 0 H VAL A 75 -3.757 -10.996 -20.356 1.00 40.24 H new ATOM 0 HA VAL A 75 -3.497 -8.663 -21.840 1.00 63.04 H new ATOM 0 HB VAL A 75 -1.480 -10.888 -21.325 1.00 64.44 H new ATOM 0 HG11 VAL A 75 0.233 -9.162 -21.705 1.00 24.50 H new ATOM 0 HG12 VAL A 75 -0.752 -9.446 -23.159 1.00 24.50 H new ATOM 0 HG13 VAL A 75 -1.039 -8.004 -22.158 1.00 24.50 H new ATOM 0 HG21 VAL A 75 -0.744 -9.465 -19.456 1.00 51.22 H new ATOM 0 HG22 VAL A 75 -2.058 -8.320 -19.815 1.00 51.22 H new ATOM 0 HG23 VAL A 75 -2.440 -9.971 -19.274 1.00 51.22 H new ATOM 1181 N ALA A 76 -3.123 -11.443 -23.592 1.00 43.42 N ATOM 1182 CA ALA A 76 -3.091 -11.983 -24.945 1.00 75.53 C ATOM 1183 C ALA A 76 -4.275 -11.480 -25.765 1.00 63.22 C ATOM 1184 O ALA A 76 -4.124 -11.118 -26.932 1.00 51.11 O ATOM 1185 CB ALA A 76 -3.083 -13.504 -24.906 1.00 32.54 C ATOM 0 H ALA A 76 -3.127 -12.149 -22.856 1.00 43.42 H new ATOM 0 HA ALA A 76 -2.176 -11.637 -25.426 1.00 75.53 H new ATOM 0 HB1 ALA A 76 -3.059 -13.894 -25.924 1.00 32.54 H new ATOM 0 HB2 ALA A 76 -2.203 -13.849 -24.364 1.00 32.54 H new ATOM 0 HB3 ALA A 76 -3.982 -13.860 -24.402 1.00 32.54 H new ATOM 1191 N ARG A 77 -5.451 -11.461 -25.147 1.00 73.25 N ATOM 1192 CA ARG A 77 -6.661 -11.004 -25.821 1.00 64.13 C ATOM 1193 C ARG A 77 -6.579 -9.512 -26.132 1.00 61.53 C ATOM 1194 O ARG A 77 -7.037 -9.061 -27.182 1.00 33.35 O ATOM 1195 CB ARG A 77 -7.890 -11.289 -24.957 1.00 73.21 C ATOM 1196 CG ARG A 77 -8.369 -12.730 -25.036 1.00 13.54 C ATOM 1197 CD ARG A 77 -9.749 -12.824 -25.668 1.00 61.10 C ATOM 1198 NE ARG A 77 -9.676 -13.016 -27.114 1.00 33.11 N ATOM 1199 CZ ARG A 77 -9.441 -14.190 -27.688 1.00 64.45 C ATOM 1200 NH1 ARG A 77 -9.256 -15.272 -26.943 1.00 52.55 N ATOM 1201 NH2 ARG A 77 -9.389 -14.285 -29.011 1.00 54.10 N ATOM 0 H ARG A 77 -5.592 -11.757 -24.181 1.00 73.25 H new ATOM 0 HA ARG A 77 -6.752 -11.549 -26.760 1.00 64.13 H new ATOM 0 HB2 ARG A 77 -7.658 -11.048 -23.919 1.00 73.21 H new ATOM 0 HB3 ARG A 77 -8.701 -10.628 -25.264 1.00 73.21 H new ATOM 0 HG2 ARG A 77 -7.660 -13.319 -25.618 1.00 13.54 H new ATOM 0 HG3 ARG A 77 -8.396 -13.161 -24.035 1.00 13.54 H new ATOM 0 HD2 ARG A 77 -10.298 -13.652 -25.219 1.00 61.10 H new ATOM 0 HD3 ARG A 77 -10.310 -11.915 -25.451 1.00 61.10 H new ATOM 0 HE ARG A 77 -9.813 -12.204 -27.716 1.00 33.11 H new ATOM 0 HH11 ARG A 77 -9.294 -15.204 -25.926 1.00 52.55 H new ATOM 0 HH12 ARG A 77 -9.076 -16.172 -27.387 1.00 52.55 H new ATOM 0 HH21 ARG A 77 -9.530 -13.456 -29.588 1.00 54.10 H new ATOM 0 HH22 ARG A 77 -9.208 -15.187 -29.451 1.00 54.10 H new ATOM 1215 N MET A 78 -5.993 -8.753 -25.213 1.00 3.22 N ATOM 1216 CA MET A 78 -5.851 -7.312 -25.390 1.00 23.24 C ATOM 1217 C MET A 78 -4.975 -6.997 -26.598 1.00 1.40 C ATOM 1218 O MET A 78 -5.319 -6.147 -27.420 1.00 43.30 O ATOM 1219 CB MET A 78 -5.252 -6.679 -24.132 1.00 72.10 C ATOM 1220 CG MET A 78 -5.993 -7.045 -22.856 1.00 41.01 C ATOM 1221 SD MET A 78 -6.441 -5.600 -21.874 1.00 63.43 S ATOM 1222 CE MET A 78 -5.732 -6.036 -20.288 1.00 62.12 C ATOM 0 H MET A 78 -5.609 -9.111 -24.338 1.00 3.22 H new ATOM 0 HA MET A 78 -6.842 -6.892 -25.563 1.00 23.24 H new ATOM 0 HB2 MET A 78 -4.211 -6.989 -24.040 1.00 72.10 H new ATOM 0 HB3 MET A 78 -5.253 -5.595 -24.245 1.00 72.10 H new ATOM 0 HG2 MET A 78 -6.896 -7.600 -23.111 1.00 41.01 H new ATOM 0 HG3 MET A 78 -5.370 -7.708 -22.256 1.00 41.01 H new ATOM 0 HE1 MET A 78 -5.219 -5.170 -19.868 1.00 62.12 H new ATOM 0 HE2 MET A 78 -6.525 -6.352 -19.610 1.00 62.12 H new ATOM 0 HE3 MET A 78 -5.020 -6.851 -20.419 1.00 62.12 H new ATOM 1232 N ILE A 79 -3.843 -7.685 -26.699 1.00 31.31 N ATOM 1233 CA ILE A 79 -2.920 -7.478 -27.807 1.00 64.14 C ATOM 1234 C ILE A 79 -3.527 -7.950 -29.124 1.00 42.53 C ATOM 1235 O ILE A 79 -3.344 -7.320 -30.167 1.00 2.44 O ATOM 1236 CB ILE A 79 -1.588 -8.216 -27.576 1.00 3.01 C ATOM 1237 CG1 ILE A 79 -0.967 -7.787 -26.245 1.00 24.21 C ATOM 1238 CG2 ILE A 79 -0.627 -7.949 -28.725 1.00 54.42 C ATOM 1239 CD1 ILE A 79 -0.824 -6.288 -26.100 1.00 22.43 C ATOM 0 H ILE A 79 -3.543 -8.391 -26.026 1.00 31.31 H new ATOM 0 HA ILE A 79 -2.728 -6.406 -27.861 1.00 64.14 H new ATOM 0 HB ILE A 79 -1.786 -9.287 -27.536 1.00 3.01 H new ATOM 0 HG12 ILE A 79 -1.581 -8.166 -25.428 1.00 24.21 H new ATOM 0 HG13 ILE A 79 0.015 -8.249 -26.146 1.00 24.21 H new ATOM 0 HG21 ILE A 79 0.309 -8.478 -28.546 1.00 54.42 H new ATOM 0 HG22 ILE A 79 -1.069 -8.299 -29.658 1.00 54.42 H new ATOM 0 HG23 ILE A 79 -0.432 -6.879 -28.795 1.00 54.42 H new ATOM 0 HD11 ILE A 79 -0.377 -6.057 -25.133 1.00 22.43 H new ATOM 0 HD12 ILE A 79 -0.185 -5.905 -26.896 1.00 22.43 H new ATOM 0 HD13 ILE A 79 -1.806 -5.821 -26.167 1.00 22.43 H new ATOM 1251 N THR A 80 -4.253 -9.062 -29.070 1.00 42.04 N ATOM 1252 CA THR A 80 -4.888 -9.618 -30.258 1.00 73.21 C ATOM 1253 C THR A 80 -5.915 -8.651 -30.836 1.00 34.40 C ATOM 1254 O THR A 80 -5.947 -8.413 -32.042 1.00 73.25 O ATOM 1255 CB THR A 80 -5.580 -10.960 -29.949 1.00 44.33 C ATOM 1256 OG1 THR A 80 -4.631 -11.887 -29.410 1.00 12.23 O ATOM 1257 CG2 THR A 80 -6.211 -11.545 -31.204 1.00 2.52 C ATOM 0 H THR A 80 -4.416 -9.595 -28.216 1.00 42.04 H new ATOM 0 HA THR A 80 -4.098 -9.785 -30.990 1.00 73.21 H new ATOM 0 HB THR A 80 -6.367 -10.778 -29.217 1.00 44.33 H new ATOM 0 HG1 THR A 80 -4.438 -11.653 -28.478 1.00 12.23 H new ATOM 0 HG21 THR A 80 -6.693 -12.492 -30.961 1.00 2.52 H new ATOM 0 HG22 THR A 80 -6.953 -10.850 -31.596 1.00 2.52 H new ATOM 0 HG23 THR A 80 -5.439 -11.713 -31.955 1.00 2.52 H new ATOM 1265 N ASN A 81 -6.754 -8.096 -29.967 1.00 23.55 N ATOM 1266 CA ASN A 81 -7.783 -7.154 -30.392 1.00 22.55 C ATOM 1267 C ASN A 81 -7.162 -5.828 -30.821 1.00 35.33 C ATOM 1268 O ASN A 81 -7.643 -5.178 -31.749 1.00 22.24 O ATOM 1269 CB ASN A 81 -8.786 -6.919 -29.261 1.00 11.22 C ATOM 1270 CG ASN A 81 -8.505 -5.640 -28.495 1.00 62.33 C ATOM 1271 OD1 ASN A 81 -7.816 -5.653 -27.475 1.00 64.22 O ATOM 1272 ND2 ASN A 81 -9.039 -4.528 -28.986 1.00 1.35 N ATOM 0 H ASN A 81 -6.741 -8.282 -28.964 1.00 23.55 H new ATOM 0 HA ASN A 81 -8.304 -7.584 -31.247 1.00 22.55 H new ATOM 0 HB2 ASN A 81 -9.793 -6.877 -29.675 1.00 11.22 H new ATOM 0 HB3 ASN A 81 -8.759 -7.764 -28.574 1.00 11.22 H new ATOM 0 HD21 ASN A 81 -8.885 -3.637 -28.515 1.00 1.35 H new ATOM 0 HD22 ASN A 81 -9.604 -4.565 -29.835 1.00 1.35 H new ATOM 1279 N ALA A 82 -6.092 -5.434 -30.139 1.00 11.12 N ATOM 1280 CA ALA A 82 -5.404 -4.187 -30.451 1.00 33.21 C ATOM 1281 C ALA A 82 -4.829 -4.216 -31.863 1.00 13.01 C ATOM 1282 O ALA A 82 -4.963 -3.252 -32.619 1.00 30.44 O ATOM 1283 CB ALA A 82 -4.302 -3.924 -29.435 1.00 72.04 C ATOM 0 H ALA A 82 -5.683 -5.960 -29.367 1.00 11.12 H new ATOM 0 HA ALA A 82 -6.131 -3.377 -30.400 1.00 33.21 H new ATOM 0 HB1 ALA A 82 -3.797 -2.990 -29.680 1.00 72.04 H new ATOM 0 HB2 ALA A 82 -4.736 -3.851 -28.438 1.00 72.04 H new ATOM 0 HB3 ALA A 82 -3.583 -4.743 -29.458 1.00 72.04 H new ATOM 1289 N LEU A 83 -4.189 -5.326 -32.213 1.00 44.32 N ATOM 1290 CA LEU A 83 -3.592 -5.480 -33.535 1.00 50.25 C ATOM 1291 C LEU A 83 -4.656 -5.811 -34.577 1.00 65.34 C ATOM 1292 O LEU A 83 -4.509 -5.481 -35.754 1.00 31.23 O ATOM 1293 CB LEU A 83 -2.526 -6.577 -33.511 1.00 52.31 C ATOM 1294 CG LEU A 83 -2.157 -7.184 -34.865 1.00 3.20 C ATOM 1295 CD1 LEU A 83 -0.688 -7.576 -34.891 1.00 24.20 C ATOM 1296 CD2 LEU A 83 -3.037 -8.387 -35.168 1.00 75.21 C ATOM 0 H LEU A 83 -4.070 -6.133 -31.600 1.00 44.32 H new ATOM 0 HA LEU A 83 -3.124 -4.534 -33.808 1.00 50.25 H new ATOM 0 HB2 LEU A 83 -1.622 -6.167 -33.060 1.00 52.31 H new ATOM 0 HB3 LEU A 83 -2.873 -7.378 -32.858 1.00 52.31 H new ATOM 0 HG LEU A 83 -2.325 -6.433 -35.636 1.00 3.20 H new ATOM 0 HD11 LEU A 83 -0.443 -8.006 -35.862 1.00 24.20 H new ATOM 0 HD12 LEU A 83 -0.073 -6.693 -34.720 1.00 24.20 H new ATOM 0 HD13 LEU A 83 -0.494 -8.311 -34.109 1.00 24.20 H new ATOM 0 HD21 LEU A 83 -2.760 -8.806 -36.135 1.00 75.21 H new ATOM 0 HD22 LEU A 83 -2.901 -9.142 -34.393 1.00 75.21 H new ATOM 0 HD23 LEU A 83 -4.082 -8.077 -35.193 1.00 75.21 H new ATOM 1308 N GLU A 84 -5.726 -6.464 -34.136 1.00 32.01 N ATOM 1309 CA GLU A 84 -6.815 -6.838 -35.031 1.00 63.50 C ATOM 1310 C GLU A 84 -7.631 -5.615 -35.436 1.00 52.32 C ATOM 1311 O GLU A 84 -7.883 -5.387 -36.620 1.00 2.22 O ATOM 1312 CB GLU A 84 -7.723 -7.872 -34.361 1.00 63.14 C ATOM 1313 CG GLU A 84 -9.055 -8.061 -35.068 1.00 3.33 C ATOM 1314 CD GLU A 84 -9.920 -9.116 -34.408 1.00 75.41 C ATOM 1315 OE1 GLU A 84 -9.883 -9.221 -33.164 1.00 61.11 O ATOM 1316 OE2 GLU A 84 -10.635 -9.838 -35.135 1.00 1.30 O ATOM 0 H GLU A 84 -5.862 -6.745 -33.165 1.00 32.01 H new ATOM 0 HA GLU A 84 -6.379 -7.275 -35.929 1.00 63.50 H new ATOM 0 HB2 GLU A 84 -7.203 -8.829 -34.322 1.00 63.14 H new ATOM 0 HB3 GLU A 84 -7.908 -7.568 -33.331 1.00 63.14 H new ATOM 0 HG2 GLU A 84 -9.592 -7.113 -35.082 1.00 3.33 H new ATOM 0 HG3 GLU A 84 -8.875 -8.341 -36.106 1.00 3.33 H new ATOM 1323 N TYR A 85 -8.043 -4.831 -34.446 1.00 25.03 N ATOM 1324 CA TYR A 85 -8.833 -3.632 -34.698 1.00 32.14 C ATOM 1325 C TYR A 85 -7.981 -2.542 -35.340 1.00 25.13 C ATOM 1326 O TYR A 85 -8.501 -1.620 -35.966 1.00 63.12 O ATOM 1327 CB TYR A 85 -9.444 -3.116 -33.394 1.00 12.41 C ATOM 1328 CG TYR A 85 -10.040 -1.731 -33.511 1.00 41.23 C ATOM 1329 CD1 TYR A 85 -11.137 -1.492 -34.330 1.00 1.14 C ATOM 1330 CD2 TYR A 85 -9.506 -0.661 -32.803 1.00 21.32 C ATOM 1331 CE1 TYR A 85 -11.684 -0.228 -34.440 1.00 63.24 C ATOM 1332 CE2 TYR A 85 -10.047 0.606 -32.906 1.00 71.53 C ATOM 1333 CZ TYR A 85 -11.136 0.817 -33.727 1.00 5.13 C ATOM 1334 OH TYR A 85 -11.678 2.077 -33.833 1.00 52.22 O ATOM 0 H TYR A 85 -7.843 -5.005 -33.461 1.00 25.03 H new ATOM 0 HA TYR A 85 -9.634 -3.894 -35.389 1.00 32.14 H new ATOM 0 HB2 TYR A 85 -10.219 -3.809 -33.066 1.00 12.41 H new ATOM 0 HB3 TYR A 85 -8.676 -3.108 -32.621 1.00 12.41 H new ATOM 0 HD1 TYR A 85 -11.569 -2.308 -34.890 1.00 1.14 H new ATOM 0 HD2 TYR A 85 -8.653 -0.823 -32.161 1.00 21.32 H new ATOM 0 HE1 TYR A 85 -12.537 -0.059 -35.081 1.00 63.24 H new ATOM 0 HE2 TYR A 85 -9.620 1.426 -32.348 1.00 71.53 H new ATOM 0 HH TYR A 85 -11.175 2.698 -33.266 1.00 52.22 H new ATOM 1344 N ASN A 86 -6.666 -2.656 -35.179 1.00 32.44 N ATOM 1345 CA ASN A 86 -5.739 -1.681 -35.742 1.00 74.41 C ATOM 1346 C ASN A 86 -5.057 -2.237 -36.989 1.00 13.43 C ATOM 1347 O ASN A 86 -4.222 -1.571 -37.600 1.00 54.14 O ATOM 1348 CB ASN A 86 -4.687 -1.288 -34.704 1.00 1.23 C ATOM 1349 CG ASN A 86 -3.877 -0.079 -35.131 1.00 11.11 C ATOM 1350 OD1 ASN A 86 -2.745 -0.209 -35.598 1.00 34.54 O ATOM 1351 ND2 ASN A 86 -4.455 1.106 -34.972 1.00 42.24 N ATOM 0 H ASN A 86 -6.219 -3.414 -34.663 1.00 32.44 H new ATOM 0 HA ASN A 86 -6.309 -0.796 -36.025 1.00 74.41 H new ATOM 0 HB2 ASN A 86 -5.179 -1.076 -33.755 1.00 1.23 H new ATOM 0 HB3 ASN A 86 -4.016 -2.130 -34.534 1.00 1.23 H new ATOM 0 HD21 ASN A 86 -3.959 1.956 -35.241 1.00 42.24 H new ATOM 0 HD22 ASN A 86 -5.395 1.167 -34.581 1.00 42.24 H new ATOM 1358 N ALA A 87 -5.420 -3.460 -37.360 1.00 24.35 N ATOM 1359 CA ALA A 87 -4.845 -4.104 -38.534 1.00 71.22 C ATOM 1360 C ALA A 87 -5.289 -3.406 -39.815 1.00 44.32 C ATOM 1361 O ALA A 87 -6.361 -3.689 -40.350 1.00 63.22 O ATOM 1362 CB ALA A 87 -5.232 -5.575 -38.572 1.00 24.31 C ATOM 0 H ALA A 87 -6.110 -4.025 -36.864 1.00 24.35 H new ATOM 0 HA ALA A 87 -3.760 -4.027 -38.465 1.00 71.22 H new ATOM 0 HB1 ALA A 87 -4.796 -6.043 -39.454 1.00 24.31 H new ATOM 0 HB2 ALA A 87 -4.861 -6.072 -37.676 1.00 24.31 H new ATOM 0 HB3 ALA A 87 -6.318 -5.665 -38.613 1.00 24.31 H new ATOM 1368 N LYS A 88 -4.458 -2.491 -40.303 1.00 2.43 N ATOM 1369 CA LYS A 88 -4.763 -1.751 -41.522 1.00 33.04 C ATOM 1370 C LYS A 88 -3.767 -2.088 -42.627 1.00 33.24 C ATOM 1371 O LYS A 88 -4.144 -2.597 -43.681 1.00 74.13 O ATOM 1372 CB LYS A 88 -4.746 -0.246 -41.247 1.00 52.40 C ATOM 1373 CG LYS A 88 -6.123 0.394 -41.279 1.00 14.20 C ATOM 1374 CD LYS A 88 -6.657 0.640 -39.878 1.00 5.45 C ATOM 1375 CE LYS A 88 -8.177 0.649 -39.853 1.00 53.54 C ATOM 1376 NZ LYS A 88 -8.715 1.889 -39.227 1.00 43.24 N ATOM 0 H LYS A 88 -3.567 -2.244 -39.872 1.00 2.43 H new ATOM 0 HA LYS A 88 -5.759 -2.042 -41.854 1.00 33.04 H new ATOM 0 HB2 LYS A 88 -4.295 -0.069 -40.271 1.00 52.40 H new ATOM 0 HB3 LYS A 88 -4.110 0.243 -41.985 1.00 52.40 H new ATOM 0 HG2 LYS A 88 -6.074 1.338 -41.821 1.00 14.20 H new ATOM 0 HG3 LYS A 88 -6.812 -0.251 -41.824 1.00 14.20 H new ATOM 0 HD2 LYS A 88 -6.286 -0.133 -39.205 1.00 5.45 H new ATOM 0 HD3 LYS A 88 -6.281 1.593 -39.506 1.00 5.45 H new ATOM 0 HE2 LYS A 88 -8.557 0.562 -40.871 1.00 53.54 H new ATOM 0 HE3 LYS A 88 -8.536 -0.221 -39.303 1.00 53.54 H new ATOM 0 HZ1 LYS A 88 -9.754 1.856 -39.229 1.00 43.24 H new ATOM 0 HZ2 LYS A 88 -8.373 1.960 -38.247 1.00 43.24 H new ATOM 0 HZ3 LYS A 88 -8.394 2.718 -39.767 1.00 43.24 H new ATOM 1390 N GLY A 89 -2.493 -1.802 -42.376 1.00 71.25 N ATOM 1391 CA GLY A 89 -1.463 -2.083 -43.359 1.00 60.42 C ATOM 1392 C GLY A 89 -0.437 -0.972 -43.458 1.00 22.12 C ATOM 1393 O GLY A 89 0.024 -0.638 -44.549 1.00 71.54 O ATOM 0 H GLY A 89 -2.156 -1.381 -41.510 1.00 71.25 H new ATOM 0 HA2 GLY A 89 -0.961 -3.015 -43.098 1.00 60.42 H new ATOM 0 HA3 GLY A 89 -1.927 -2.233 -44.334 1.00 60.42 H new ATOM 1397 N SER A 90 -0.079 -0.396 -42.315 1.00 21.14 N ATOM 1398 CA SER A 90 0.895 0.688 -42.277 1.00 43.32 C ATOM 1399 C SER A 90 1.947 0.437 -41.201 1.00 31.01 C ATOM 1400 O SER A 90 2.020 -0.651 -40.629 1.00 64.32 O ATOM 1401 CB SER A 90 0.194 2.023 -42.019 1.00 42.44 C ATOM 1402 OG SER A 90 -1.087 2.052 -42.624 1.00 60.13 O ATOM 0 H SER A 90 -0.449 -0.662 -41.403 1.00 21.14 H new ATOM 0 HA SER A 90 1.394 0.728 -43.245 1.00 43.32 H new ATOM 0 HB2 SER A 90 0.096 2.184 -40.945 1.00 42.44 H new ATOM 0 HB3 SER A 90 0.803 2.838 -42.410 1.00 42.44 H new ATOM 0 HG SER A 90 -1.515 2.915 -42.443 1.00 60.13 H new ATOM 1408 N THR A 91 2.761 1.452 -40.929 1.00 51.40 N ATOM 1409 CA THR A 91 3.810 1.343 -39.923 1.00 13.00 C ATOM 1410 C THR A 91 3.232 0.954 -38.567 1.00 2.22 C ATOM 1411 O THR A 91 3.909 0.329 -37.750 1.00 54.01 O ATOM 1412 CB THR A 91 4.588 2.664 -39.777 1.00 41.10 C ATOM 1413 OG1 THR A 91 4.611 3.360 -41.028 1.00 55.32 O ATOM 1414 CG2 THR A 91 6.012 2.404 -39.310 1.00 4.20 C ATOM 0 H THR A 91 2.714 2.360 -41.392 1.00 51.40 H new ATOM 0 HA THR A 91 4.493 0.564 -40.261 1.00 13.00 H new ATOM 0 HB THR A 91 4.083 3.277 -39.030 1.00 41.10 H new ATOM 0 HG1 THR A 91 5.106 4.200 -40.926 1.00 55.32 H new ATOM 0 HG21 THR A 91 6.542 3.352 -39.214 1.00 4.20 H new ATOM 0 HG22 THR A 91 5.992 1.900 -38.344 1.00 4.20 H new ATOM 0 HG23 THR A 91 6.524 1.774 -40.037 1.00 4.20 H new ATOM 1422 N TRP A 92 1.979 1.327 -38.334 1.00 2.31 N ATOM 1423 CA TRP A 92 1.311 1.016 -37.075 1.00 54.35 C ATOM 1424 C TRP A 92 1.108 -0.487 -36.924 1.00 25.34 C ATOM 1425 O TRP A 92 1.189 -1.025 -35.819 1.00 72.41 O ATOM 1426 CB TRP A 92 -0.037 1.735 -36.999 1.00 74.12 C ATOM 1427 CG TRP A 92 -0.050 2.873 -36.024 1.00 24.21 C ATOM 1428 CD1 TRP A 92 -0.943 3.074 -35.011 1.00 2.24 C ATOM 1429 CD2 TRP A 92 0.873 3.966 -35.971 1.00 40.44 C ATOM 1430 NE1 TRP A 92 -0.631 4.227 -34.331 1.00 40.23 N ATOM 1431 CE2 TRP A 92 0.479 4.793 -34.901 1.00 23.45 C ATOM 1432 CE3 TRP A 92 1.994 4.327 -36.723 1.00 64.01 C ATOM 1433 CZ2 TRP A 92 1.167 5.956 -34.566 1.00 65.23 C ATOM 1434 CZ3 TRP A 92 2.676 5.482 -36.390 1.00 62.02 C ATOM 1435 CH2 TRP A 92 2.262 6.285 -35.319 1.00 73.13 C ATOM 0 H TRP A 92 1.405 1.845 -39.000 1.00 2.31 H new ATOM 0 HA TRP A 92 1.946 1.362 -36.260 1.00 54.35 H new ATOM 0 HB2 TRP A 92 -0.296 2.111 -37.989 1.00 74.12 H new ATOM 0 HB3 TRP A 92 -0.808 1.017 -36.719 1.00 74.12 H new ATOM 0 HD1 TRP A 92 -1.773 2.423 -34.778 1.00 2.24 H new ATOM 0 HE1 TRP A 92 -1.143 4.601 -33.532 1.00 40.23 H new ATOM 0 HE3 TRP A 92 2.322 3.714 -37.550 1.00 64.01 H new ATOM 0 HZ2 TRP A 92 0.848 6.577 -33.742 1.00 65.23 H new ATOM 0 HZ3 TRP A 92 3.543 5.771 -36.965 1.00 62.02 H new ATOM 0 HH2 TRP A 92 2.817 7.181 -35.083 1.00 73.13 H new ATOM 1446 N TYR A 93 0.846 -1.160 -38.038 1.00 63.14 N ATOM 1447 CA TYR A 93 0.631 -2.602 -38.028 1.00 75.11 C ATOM 1448 C TYR A 93 1.903 -3.340 -37.624 1.00 30.50 C ATOM 1449 O TYR A 93 1.882 -4.197 -36.740 1.00 52.15 O ATOM 1450 CB TYR A 93 0.166 -3.079 -39.405 1.00 62.31 C ATOM 1451 CG TYR A 93 0.044 -4.582 -39.516 1.00 32.34 C ATOM 1452 CD1 TYR A 93 -0.775 -5.298 -38.651 1.00 23.13 C ATOM 1453 CD2 TYR A 93 0.746 -5.287 -40.486 1.00 2.41 C ATOM 1454 CE1 TYR A 93 -0.889 -6.671 -38.748 1.00 22.34 C ATOM 1455 CE2 TYR A 93 0.637 -6.660 -40.591 1.00 41.22 C ATOM 1456 CZ TYR A 93 -0.181 -7.348 -39.719 1.00 52.45 C ATOM 1457 OH TYR A 93 -0.293 -8.715 -39.820 1.00 72.42 O ATOM 0 H TYR A 93 0.777 -0.730 -38.960 1.00 63.14 H new ATOM 0 HA TYR A 93 -0.144 -2.823 -37.294 1.00 75.11 H new ATOM 0 HB2 TYR A 93 -0.800 -2.627 -39.630 1.00 62.31 H new ATOM 0 HB3 TYR A 93 0.868 -2.723 -40.159 1.00 62.31 H new ATOM 0 HD1 TYR A 93 -1.332 -4.772 -37.890 1.00 23.13 H new ATOM 0 HD2 TYR A 93 1.388 -4.752 -41.170 1.00 2.41 H new ATOM 0 HE1 TYR A 93 -1.529 -7.212 -38.067 1.00 22.34 H new ATOM 0 HE2 TYR A 93 1.189 -7.192 -41.352 1.00 41.22 H new ATOM 0 HH TYR A 93 0.281 -9.141 -39.149 1.00 72.42 H new ATOM 1467 N GLN A 94 3.009 -3.001 -38.278 1.00 3.24 N ATOM 1468 CA GLN A 94 4.292 -3.631 -37.987 1.00 34.00 C ATOM 1469 C GLN A 94 4.746 -3.311 -36.567 1.00 1.22 C ATOM 1470 O GLN A 94 5.277 -4.172 -35.866 1.00 75.24 O ATOM 1471 CB GLN A 94 5.350 -3.169 -38.990 1.00 51.02 C ATOM 1472 CG GLN A 94 5.841 -4.276 -39.910 1.00 12.53 C ATOM 1473 CD GLN A 94 7.237 -4.017 -40.441 1.00 11.42 C ATOM 1474 OE1 GLN A 94 8.132 -3.613 -39.697 1.00 74.31 O ATOM 1475 NE2 GLN A 94 7.431 -4.248 -41.734 1.00 11.31 N ATOM 0 H GLN A 94 3.043 -2.294 -39.013 1.00 3.24 H new ATOM 0 HA GLN A 94 4.166 -4.710 -38.074 1.00 34.00 H new ATOM 0 HB2 GLN A 94 4.937 -2.362 -39.595 1.00 51.02 H new ATOM 0 HB3 GLN A 94 6.200 -2.757 -38.445 1.00 51.02 H new ATOM 0 HG2 GLN A 94 5.832 -5.223 -39.370 1.00 12.53 H new ATOM 0 HG3 GLN A 94 5.151 -4.380 -40.748 1.00 12.53 H new ATOM 0 HE21 GLN A 94 6.661 -4.582 -42.313 1.00 11.31 H new ATOM 0 HE22 GLN A 94 8.350 -4.091 -42.148 1.00 11.31 H new ATOM 1484 N GLU A 95 4.535 -2.067 -36.149 1.00 54.53 N ATOM 1485 CA GLU A 95 4.924 -1.633 -34.813 1.00 23.44 C ATOM 1486 C GLU A 95 4.179 -2.429 -33.744 1.00 44.43 C ATOM 1487 O GLU A 95 4.777 -2.902 -32.778 1.00 40.13 O ATOM 1488 CB GLU A 95 4.649 -0.139 -34.636 1.00 52.42 C ATOM 1489 CG GLU A 95 4.819 0.347 -33.206 1.00 74.14 C ATOM 1490 CD GLU A 95 6.044 -0.239 -32.533 1.00 22.21 C ATOM 1491 OE1 GLU A 95 7.099 -0.332 -33.195 1.00 53.22 O ATOM 1492 OE2 GLU A 95 5.948 -0.605 -31.343 1.00 23.04 O ATOM 0 H GLU A 95 4.097 -1.342 -36.717 1.00 54.53 H new ATOM 0 HA GLU A 95 5.993 -1.813 -34.698 1.00 23.44 H new ATOM 0 HB2 GLU A 95 5.320 0.424 -35.284 1.00 52.42 H new ATOM 0 HB3 GLU A 95 3.632 0.076 -34.965 1.00 52.42 H new ATOM 0 HG2 GLU A 95 4.892 1.435 -33.202 1.00 74.14 H new ATOM 0 HG3 GLU A 95 3.932 0.085 -32.629 1.00 74.14 H new ATOM 1499 N ALA A 96 2.870 -2.570 -33.926 1.00 24.33 N ATOM 1500 CA ALA A 96 2.044 -3.309 -32.979 1.00 54.32 C ATOM 1501 C ALA A 96 2.432 -4.783 -32.944 1.00 44.21 C ATOM 1502 O ALA A 96 2.531 -5.383 -31.874 1.00 40.23 O ATOM 1503 CB ALA A 96 0.572 -3.157 -33.334 1.00 72.42 C ATOM 0 H ALA A 96 2.359 -2.183 -34.719 1.00 24.33 H new ATOM 0 HA ALA A 96 2.213 -2.893 -31.986 1.00 54.32 H new ATOM 0 HB1 ALA A 96 -0.034 -3.714 -32.619 1.00 72.42 H new ATOM 0 HB2 ALA A 96 0.297 -2.103 -33.300 1.00 72.42 H new ATOM 0 HB3 ALA A 96 0.398 -3.545 -34.337 1.00 72.42 H new ATOM 1509 N MET A 97 2.651 -5.360 -34.121 1.00 23.42 N ATOM 1510 CA MET A 97 3.030 -6.765 -34.224 1.00 11.04 C ATOM 1511 C MET A 97 4.421 -6.997 -33.643 1.00 44.21 C ATOM 1512 O MET A 97 4.682 -8.029 -33.024 1.00 40.44 O ATOM 1513 CB MET A 97 2.991 -7.220 -35.684 1.00 23.24 C ATOM 1514 CG MET A 97 2.741 -8.710 -35.849 1.00 63.41 C ATOM 1515 SD MET A 97 1.831 -9.099 -37.356 1.00 42.24 S ATOM 1516 CE MET A 97 2.969 -10.226 -38.158 1.00 41.01 C ATOM 0 H MET A 97 2.573 -4.877 -35.016 1.00 23.42 H new ATOM 0 HA MET A 97 2.314 -7.352 -33.649 1.00 11.04 H new ATOM 0 HB2 MET A 97 2.210 -6.669 -36.207 1.00 23.24 H new ATOM 0 HB3 MET A 97 3.937 -6.963 -36.161 1.00 23.24 H new ATOM 0 HG2 MET A 97 3.696 -9.236 -35.860 1.00 63.41 H new ATOM 0 HG3 MET A 97 2.184 -9.079 -34.988 1.00 63.41 H new ATOM 0 HE1 MET A 97 2.546 -10.556 -39.107 1.00 41.01 H new ATOM 0 HE2 MET A 97 3.916 -9.718 -38.340 1.00 41.01 H new ATOM 0 HE3 MET A 97 3.138 -11.090 -37.516 1.00 41.01 H new ATOM 1526 N SER A 98 5.311 -6.031 -33.847 1.00 44.11 N ATOM 1527 CA SER A 98 6.678 -6.132 -33.347 1.00 75.24 C ATOM 1528 C SER A 98 6.704 -6.079 -31.823 1.00 34.02 C ATOM 1529 O SER A 98 7.421 -6.842 -31.176 1.00 4.23 O ATOM 1530 CB SER A 98 7.538 -5.006 -33.923 1.00 65.21 C ATOM 1531 OG SER A 98 7.964 -5.312 -35.240 1.00 12.32 O ATOM 0 H SER A 98 5.110 -5.170 -34.355 1.00 44.11 H new ATOM 0 HA SER A 98 7.086 -7.091 -33.667 1.00 75.24 H new ATOM 0 HB2 SER A 98 6.969 -4.076 -33.928 1.00 65.21 H new ATOM 0 HB3 SER A 98 8.407 -4.845 -33.285 1.00 65.21 H new ATOM 0 HG SER A 98 7.264 -5.059 -35.877 1.00 12.32 H new ATOM 1537 N PHE A 99 5.915 -5.172 -31.255 1.00 63.32 N ATOM 1538 CA PHE A 99 5.848 -5.017 -29.807 1.00 34.42 C ATOM 1539 C PHE A 99 5.177 -6.227 -29.161 1.00 42.32 C ATOM 1540 O PHE A 99 5.590 -6.683 -28.095 1.00 11.22 O ATOM 1541 CB PHE A 99 5.083 -3.742 -29.444 1.00 64.40 C ATOM 1542 CG PHE A 99 5.891 -2.770 -28.633 1.00 11.05 C ATOM 1543 CD1 PHE A 99 7.101 -2.289 -29.106 1.00 70.22 C ATOM 1544 CD2 PHE A 99 5.440 -2.336 -27.396 1.00 74.35 C ATOM 1545 CE1 PHE A 99 7.846 -1.395 -28.361 1.00 42.01 C ATOM 1546 CE2 PHE A 99 6.180 -1.442 -26.647 1.00 3.20 C ATOM 1547 CZ PHE A 99 7.385 -0.970 -27.131 1.00 13.24 C ATOM 0 H PHE A 99 5.314 -4.534 -31.776 1.00 63.32 H new ATOM 0 HA PHE A 99 6.867 -4.942 -29.427 1.00 34.42 H new ATOM 0 HB2 PHE A 99 4.753 -3.252 -30.360 1.00 64.40 H new ATOM 0 HB3 PHE A 99 4.187 -4.012 -28.886 1.00 64.40 H new ATOM 0 HD1 PHE A 99 7.466 -2.617 -30.068 1.00 70.22 H new ATOM 0 HD2 PHE A 99 4.499 -2.701 -27.013 1.00 74.35 H new ATOM 0 HE1 PHE A 99 8.788 -1.029 -28.741 1.00 42.01 H new ATOM 0 HE2 PHE A 99 5.817 -1.112 -25.685 1.00 3.20 H new ATOM 0 HZ PHE A 99 7.965 -0.270 -26.548 1.00 13.24 H new ATOM 1557 N ARG A 100 4.141 -6.740 -29.815 1.00 74.34 N ATOM 1558 CA ARG A 100 3.411 -7.895 -29.305 1.00 63.02 C ATOM 1559 C ARG A 100 4.353 -9.072 -29.068 1.00 44.24 C ATOM 1560 O ARG A 100 4.076 -9.949 -28.250 1.00 11.52 O ATOM 1561 CB ARG A 100 2.307 -8.301 -30.283 1.00 43.45 C ATOM 1562 CG ARG A 100 1.723 -9.676 -30.006 1.00 13.12 C ATOM 1563 CD ARG A 100 2.422 -10.753 -30.819 1.00 65.34 C ATOM 1564 NE ARG A 100 1.595 -11.947 -30.973 1.00 41.14 N ATOM 1565 CZ ARG A 100 0.596 -12.041 -31.843 1.00 73.14 C ATOM 1566 NH1 ARG A 100 0.302 -11.018 -32.633 1.00 55.25 N ATOM 1567 NH2 ARG A 100 -0.111 -13.161 -31.925 1.00 15.14 N ATOM 0 H ARG A 100 3.788 -6.375 -30.699 1.00 74.34 H new ATOM 0 HA ARG A 100 2.959 -7.616 -28.353 1.00 63.02 H new ATOM 0 HB2 ARG A 100 1.507 -7.561 -30.243 1.00 43.45 H new ATOM 0 HB3 ARG A 100 2.707 -8.283 -31.297 1.00 43.45 H new ATOM 0 HG2 ARG A 100 1.814 -9.904 -28.944 1.00 13.12 H new ATOM 0 HG3 ARG A 100 0.659 -9.674 -30.241 1.00 13.12 H new ATOM 0 HD2 ARG A 100 2.674 -10.358 -31.803 1.00 65.34 H new ATOM 0 HD3 ARG A 100 3.360 -11.022 -30.333 1.00 65.34 H new ATOM 0 HE ARG A 100 1.796 -12.752 -30.380 1.00 41.14 H new ATOM 0 HH11 ARG A 100 0.844 -10.156 -32.574 1.00 55.25 H new ATOM 0 HH12 ARG A 100 -0.466 -11.093 -33.300 1.00 55.25 H new ATOM 0 HH21 ARG A 100 0.113 -13.951 -31.319 1.00 15.14 H new ATOM 0 HH22 ARG A 100 -0.878 -13.232 -32.594 1.00 15.14 H new ATOM 1581 N LYS A 101 5.469 -9.085 -29.791 1.00 15.12 N ATOM 1582 CA LYS A 101 6.453 -10.152 -29.660 1.00 71.50 C ATOM 1583 C LYS A 101 7.137 -10.098 -28.298 1.00 31.13 C ATOM 1584 O LYS A 101 7.657 -11.103 -27.811 1.00 53.03 O ATOM 1585 CB LYS A 101 7.499 -10.049 -30.772 1.00 40.32 C ATOM 1586 CG LYS A 101 7.520 -11.250 -31.702 1.00 11.24 C ATOM 1587 CD LYS A 101 6.591 -11.053 -32.888 1.00 32.32 C ATOM 1588 CE LYS A 101 6.613 -12.256 -33.818 1.00 74.32 C ATOM 1589 NZ LYS A 101 6.897 -11.863 -35.226 1.00 75.52 N ATOM 0 H LYS A 101 5.714 -8.368 -30.474 1.00 15.12 H new ATOM 0 HA LYS A 101 5.931 -11.105 -29.747 1.00 71.50 H new ATOM 0 HB2 LYS A 101 7.307 -9.150 -31.358 1.00 40.32 H new ATOM 0 HB3 LYS A 101 8.485 -9.931 -30.322 1.00 40.32 H new ATOM 0 HG2 LYS A 101 8.536 -11.417 -32.059 1.00 11.24 H new ATOM 0 HG3 LYS A 101 7.224 -12.143 -31.151 1.00 11.24 H new ATOM 0 HD2 LYS A 101 5.575 -10.886 -32.532 1.00 32.32 H new ATOM 0 HD3 LYS A 101 6.887 -10.160 -33.439 1.00 32.32 H new ATOM 0 HE2 LYS A 101 7.370 -12.964 -33.479 1.00 74.32 H new ATOM 0 HE3 LYS A 101 5.653 -12.769 -33.771 1.00 74.32 H new ATOM 0 HZ1 LYS A 101 6.904 -12.711 -35.828 1.00 75.52 H new ATOM 0 HZ2 LYS A 101 6.161 -11.207 -35.559 1.00 75.52 H new ATOM 0 HZ3 LYS A 101 7.825 -11.396 -35.276 1.00 75.52 H new ATOM 1603 N THR A 102 7.132 -8.918 -27.685 1.00 20.33 N ATOM 1604 CA THR A 102 7.751 -8.733 -26.379 1.00 24.25 C ATOM 1605 C THR A 102 6.712 -8.372 -25.323 1.00 61.34 C ATOM 1606 O THR A 102 7.009 -8.347 -24.129 1.00 20.13 O ATOM 1607 CB THR A 102 8.829 -7.633 -26.419 1.00 20.34 C ATOM 1608 OG1 THR A 102 9.479 -7.538 -25.146 1.00 64.14 O ATOM 1609 CG2 THR A 102 8.217 -6.289 -26.783 1.00 31.13 C ATOM 0 H THR A 102 6.706 -8.076 -28.073 1.00 20.33 H new ATOM 0 HA THR A 102 8.219 -9.681 -26.115 1.00 24.25 H new ATOM 0 HB THR A 102 9.561 -7.899 -27.181 1.00 20.34 H new ATOM 0 HG1 THR A 102 10.164 -6.838 -25.180 1.00 64.14 H new ATOM 0 HG21 THR A 102 8.997 -5.528 -26.805 1.00 31.13 H new ATOM 0 HG22 THR A 102 7.748 -6.357 -27.765 1.00 31.13 H new ATOM 0 HG23 THR A 102 7.467 -6.018 -26.040 1.00 31.13 H new ATOM 1617 N TYR A 103 5.493 -8.094 -25.772 1.00 30.35 N ATOM 1618 CA TYR A 103 4.409 -7.733 -24.865 1.00 44.02 C ATOM 1619 C TYR A 103 4.022 -8.915 -23.982 1.00 15.45 C ATOM 1620 O TYR A 103 4.000 -8.807 -22.755 1.00 14.14 O ATOM 1621 CB TYR A 103 3.192 -7.253 -25.658 1.00 22.24 C ATOM 1622 CG TYR A 103 2.348 -6.242 -24.916 1.00 54.44 C ATOM 1623 CD1 TYR A 103 1.843 -6.521 -23.653 1.00 32.14 C ATOM 1624 CD2 TYR A 103 2.055 -5.006 -25.480 1.00 2.50 C ATOM 1625 CE1 TYR A 103 1.070 -5.600 -22.972 1.00 70.14 C ATOM 1626 CE2 TYR A 103 1.284 -4.078 -24.806 1.00 44.33 C ATOM 1627 CZ TYR A 103 0.794 -4.380 -23.553 1.00 52.12 C ATOM 1628 OH TYR A 103 0.026 -3.459 -22.878 1.00 74.11 O ATOM 0 H TYR A 103 5.231 -8.112 -26.758 1.00 30.35 H new ATOM 0 HA TYR A 103 4.759 -6.924 -24.224 1.00 44.02 H new ATOM 0 HB2 TYR A 103 3.530 -6.813 -26.596 1.00 22.24 H new ATOM 0 HB3 TYR A 103 2.573 -8.113 -25.914 1.00 22.24 H new ATOM 0 HD1 TYR A 103 2.058 -7.475 -23.195 1.00 32.14 H new ATOM 0 HD2 TYR A 103 2.436 -4.767 -26.462 1.00 2.50 H new ATOM 0 HE1 TYR A 103 0.684 -5.834 -21.991 1.00 70.14 H new ATOM 0 HE2 TYR A 103 1.066 -3.122 -25.258 1.00 44.33 H new ATOM 0 HH TYR A 103 0.610 -2.810 -22.433 1.00 74.11 H new ATOM 1638 N LEU A 104 3.717 -10.042 -24.614 1.00 35.43 N ATOM 1639 CA LEU A 104 3.330 -11.246 -23.887 1.00 33.54 C ATOM 1640 C LEU A 104 4.526 -11.851 -23.158 1.00 50.32 C ATOM 1641 O LEU A 104 4.426 -12.237 -21.994 1.00 32.24 O ATOM 1642 CB LEU A 104 2.730 -12.275 -24.847 1.00 31.23 C ATOM 1643 CG LEU A 104 3.520 -12.537 -26.129 1.00 50.45 C ATOM 1644 CD1 LEU A 104 4.071 -13.954 -26.138 1.00 33.22 C ATOM 1645 CD2 LEU A 104 2.647 -12.295 -27.352 1.00 50.52 C ATOM 0 H LEU A 104 3.730 -10.148 -25.628 1.00 35.43 H new ATOM 0 HA LEU A 104 2.580 -10.968 -23.147 1.00 33.54 H new ATOM 0 HB2 LEU A 104 2.619 -13.219 -24.313 1.00 31.23 H new ATOM 0 HB3 LEU A 104 1.728 -11.945 -25.122 1.00 31.23 H new ATOM 0 HG LEU A 104 4.360 -11.843 -26.163 1.00 50.45 H new ATOM 0 HD11 LEU A 104 4.630 -14.121 -27.059 1.00 33.22 H new ATOM 0 HD12 LEU A 104 4.731 -14.093 -25.282 1.00 33.22 H new ATOM 0 HD13 LEU A 104 3.247 -14.665 -26.080 1.00 33.22 H new ATOM 0 HD21 LEU A 104 3.226 -12.486 -28.256 1.00 50.52 H new ATOM 0 HD22 LEU A 104 1.787 -12.964 -27.323 1.00 50.52 H new ATOM 0 HD23 LEU A 104 2.302 -11.261 -27.354 1.00 50.52 H new ATOM 1657 N ASP A 105 5.657 -11.927 -23.851 1.00 12.00 N ATOM 1658 CA ASP A 105 6.874 -12.481 -23.269 1.00 50.12 C ATOM 1659 C ASP A 105 7.242 -11.750 -21.982 1.00 20.55 C ATOM 1660 O ASP A 105 7.503 -12.376 -20.953 1.00 34.20 O ATOM 1661 CB ASP A 105 8.029 -12.392 -24.268 1.00 75.05 C ATOM 1662 CG ASP A 105 8.913 -13.623 -24.242 1.00 71.13 C ATOM 1663 OD1 ASP A 105 9.371 -14.001 -23.144 1.00 34.12 O ATOM 1664 OD2 ASP A 105 9.148 -14.208 -25.321 1.00 21.25 O ATOM 0 H ASP A 105 5.756 -11.612 -24.816 1.00 12.00 H new ATOM 0 HA ASP A 105 6.689 -13.529 -23.031 1.00 50.12 H new ATOM 0 HB2 ASP A 105 7.627 -12.258 -25.272 1.00 75.05 H new ATOM 0 HB3 ASP A 105 8.631 -11.511 -24.045 1.00 75.05 H new ATOM 1669 N LEU A 106 7.263 -10.424 -22.045 1.00 55.23 N ATOM 1670 CA LEU A 106 7.600 -9.607 -20.884 1.00 71.24 C ATOM 1671 C LEU A 106 6.520 -9.713 -19.812 1.00 41.42 C ATOM 1672 O LEU A 106 6.778 -9.478 -18.632 1.00 43.42 O ATOM 1673 CB LEU A 106 7.782 -8.146 -21.299 1.00 74.15 C ATOM 1674 CG LEU A 106 9.033 -7.832 -22.119 1.00 65.14 C ATOM 1675 CD1 LEU A 106 9.053 -6.366 -22.524 1.00 74.32 C ATOM 1676 CD2 LEU A 106 10.288 -8.187 -21.335 1.00 0.04 C ATOM 0 H LEU A 106 7.051 -9.891 -22.888 1.00 55.23 H new ATOM 0 HA LEU A 106 8.536 -9.979 -20.468 1.00 71.24 H new ATOM 0 HB2 LEU A 106 6.908 -7.841 -21.875 1.00 74.15 H new ATOM 0 HB3 LEU A 106 7.799 -7.533 -20.398 1.00 74.15 H new ATOM 0 HG LEU A 106 9.011 -8.438 -23.025 1.00 65.14 H new ATOM 0 HD11 LEU A 106 9.951 -6.162 -23.107 1.00 74.32 H new ATOM 0 HD12 LEU A 106 8.172 -6.143 -23.125 1.00 74.32 H new ATOM 0 HD13 LEU A 106 9.051 -5.742 -21.631 1.00 74.32 H new ATOM 0 HD21 LEU A 106 11.169 -7.957 -21.934 1.00 0.04 H new ATOM 0 HD22 LEU A 106 10.316 -7.608 -20.412 1.00 0.04 H new ATOM 0 HD23 LEU A 106 10.279 -9.251 -21.097 1.00 0.04 H new ATOM 1688 N ALA A 107 5.310 -10.069 -20.231 1.00 64.41 N ATOM 1689 CA ALA A 107 4.193 -10.210 -19.306 1.00 74.33 C ATOM 1690 C ALA A 107 3.841 -11.678 -19.090 1.00 33.21 C ATOM 1691 O ALA A 107 2.733 -12.114 -19.405 1.00 43.23 O ATOM 1692 CB ALA A 107 2.982 -9.446 -19.821 1.00 40.22 C ATOM 0 H ALA A 107 5.079 -10.265 -21.205 1.00 64.41 H new ATOM 0 HA ALA A 107 4.493 -9.790 -18.346 1.00 74.33 H new ATOM 0 HB1 ALA A 107 2.155 -9.560 -19.120 1.00 40.22 H new ATOM 0 HB2 ALA A 107 3.233 -8.390 -19.918 1.00 40.22 H new ATOM 0 HB3 ALA A 107 2.690 -9.840 -20.794 1.00 40.22 H new ATOM 1698 N ARG A 108 4.790 -12.436 -18.551 1.00 61.21 N ATOM 1699 CA ARG A 108 4.580 -13.856 -18.295 1.00 25.03 C ATOM 1700 C ARG A 108 5.823 -14.485 -17.672 1.00 64.43 C ATOM 1701 O ARG A 108 5.756 -15.085 -16.600 1.00 34.02 O ATOM 1702 CB ARG A 108 4.223 -14.583 -19.592 1.00 71.03 C ATOM 1703 CG ARG A 108 2.896 -15.322 -19.531 1.00 23.45 C ATOM 1704 CD ARG A 108 2.859 -16.304 -18.370 1.00 64.51 C ATOM 1705 NE ARG A 108 1.675 -17.157 -18.412 1.00 74.32 N ATOM 1706 CZ ARG A 108 1.572 -18.236 -19.181 1.00 43.42 C ATOM 1707 NH1 ARG A 108 2.579 -18.591 -19.968 1.00 31.15 N ATOM 1708 NH2 ARG A 108 0.461 -18.961 -19.164 1.00 64.11 N ATOM 0 H ARG A 108 5.712 -12.091 -18.283 1.00 61.21 H new ATOM 0 HA ARG A 108 3.752 -13.954 -17.592 1.00 25.03 H new ATOM 0 HB2 ARG A 108 4.189 -13.859 -20.407 1.00 71.03 H new ATOM 0 HB3 ARG A 108 5.014 -15.294 -19.830 1.00 71.03 H new ATOM 0 HG2 ARG A 108 2.083 -14.604 -19.428 1.00 23.45 H new ATOM 0 HG3 ARG A 108 2.732 -15.857 -20.467 1.00 23.45 H new ATOM 0 HD2 ARG A 108 3.754 -16.925 -18.392 1.00 64.51 H new ATOM 0 HD3 ARG A 108 2.876 -15.754 -17.429 1.00 64.51 H new ATOM 0 HE ARG A 108 0.883 -16.911 -17.818 1.00 74.32 H new ATOM 0 HH11 ARG A 108 3.434 -18.036 -19.984 1.00 31.15 H new ATOM 0 HH12 ARG A 108 2.498 -19.419 -20.557 1.00 31.15 H new ATOM 0 HH21 ARG A 108 -0.315 -18.690 -18.560 1.00 64.11 H new ATOM 0 HH22 ARG A 108 0.383 -19.789 -19.755 1.00 64.11 H new ATOM 1722 N GLN A 109 6.956 -14.345 -18.353 1.00 50.55 N ATOM 1723 CA GLN A 109 8.213 -14.901 -17.868 1.00 3.54 C ATOM 1724 C GLN A 109 8.719 -14.125 -16.656 1.00 4.31 C ATOM 1725 O GLN A 109 9.355 -14.690 -15.766 1.00 13.12 O ATOM 1726 CB GLN A 109 9.266 -14.881 -18.977 1.00 24.12 C ATOM 1727 CG GLN A 109 10.638 -15.352 -18.522 1.00 3.35 C ATOM 1728 CD GLN A 109 11.668 -15.312 -19.634 1.00 34.42 C ATOM 1729 OE1 GLN A 109 11.888 -14.272 -20.255 1.00 74.43 O ATOM 1730 NE2 GLN A 109 12.305 -16.448 -19.891 1.00 63.40 N ATOM 0 H GLN A 109 7.029 -13.851 -19.242 1.00 50.55 H new ATOM 0 HA GLN A 109 8.033 -15.933 -17.567 1.00 3.54 H new ATOM 0 HB2 GLN A 109 8.928 -15.513 -19.799 1.00 24.12 H new ATOM 0 HB3 GLN A 109 9.350 -13.867 -19.368 1.00 24.12 H new ATOM 0 HG2 GLN A 109 10.977 -14.727 -17.696 1.00 3.35 H new ATOM 0 HG3 GLN A 109 10.560 -16.370 -18.141 1.00 3.35 H new ATOM 0 HE21 GLN A 109 12.091 -17.286 -19.351 1.00 63.40 H new ATOM 0 HE22 GLN A 109 13.009 -16.482 -20.628 1.00 63.40 H new ATOM 1739 N SER A 110 8.434 -12.827 -16.629 1.00 11.10 N ATOM 1740 CA SER A 110 8.864 -11.972 -15.528 1.00 71.34 C ATOM 1741 C SER A 110 8.126 -12.331 -14.242 1.00 24.11 C ATOM 1742 O SER A 110 8.629 -12.106 -13.142 1.00 32.23 O ATOM 1743 CB SER A 110 8.625 -10.501 -15.874 1.00 34.25 C ATOM 1744 OG SER A 110 8.846 -9.670 -14.747 1.00 61.51 O ATOM 0 H SER A 110 7.907 -12.344 -17.357 1.00 11.10 H new ATOM 0 HA SER A 110 9.931 -12.132 -15.371 1.00 71.34 H new ATOM 0 HB2 SER A 110 9.288 -10.203 -16.686 1.00 34.25 H new ATOM 0 HB3 SER A 110 7.604 -10.370 -16.232 1.00 34.25 H new ATOM 0 HG SER A 110 8.688 -8.735 -14.994 1.00 61.51 H new ATOM 1750 N GLY A 111 6.930 -12.891 -14.390 1.00 35.24 N ATOM 1751 CA GLY A 111 6.141 -13.272 -13.233 1.00 30.45 C ATOM 1752 C GLY A 111 6.482 -14.662 -12.731 1.00 55.30 C ATOM 1753 O GLY A 111 5.728 -15.251 -11.956 1.00 61.24 O ATOM 0 H GLY A 111 6.493 -13.088 -15.290 1.00 35.24 H new ATOM 0 HA2 GLY A 111 6.303 -12.550 -12.433 1.00 30.45 H new ATOM 0 HA3 GLY A 111 5.082 -13.231 -13.489 1.00 30.45 H new TER 1757 GLY A 111