USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 927 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 85 TYR OH : rot 0:sc= 0.0998 USER MOD Set 1.2: A 101 LYS NZ :NH3+ -154:sc= 0.106 (180deg=0) USER MOD Set 2.1: A 48 GLN :FLIP amide:sc= -0.146 X(o=-0.69,f=-0.21) USER MOD Set 2.2: A 76 ASN :FLIP amide:sc= -0.0675 F(o=-1.3,f=-0.21) USER MOD Set 3.1: A 18 MET CE :methyl 145:sc= -0.336 (180deg=-1.29!) USER MOD Set 3.2: A 60 SER OG : rot -159:sc= 0 USER MOD Set 4.1: A 17 GLN : amide:sc= -0.0613 K(o=0.07,f=-2.3) USER MOD Set 4.2: A 21 LYS NZ :NH3+ 166:sc= 0.131 (180deg=-0.24) USER MOD Set 5.1: A 6 HIS : no HD1:sc= 0.731 K(o=1.6,f=-2) USER MOD Set 5.2: A 9 SER OG : rot 159:sc= 0.86 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 1.25 (180deg=1.04) USER MOD Single : A 3 HIS : no HD1:sc= -0.155 X(o=-0.16,f=-0.32) USER MOD Single : A 4 HIS : no HD1:sc= 0.04 X(o=0.04,f=-0.25) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 7 HIS : no HD1:sc= -0.0253 X(o=-0.025,f=-0.025) USER MOD Single : A 8 HIS : no HD1:sc= -0.0888 X(o=-0.089,f=0.0053) USER MOD Single : A 10 HIS : no HD1:sc=-0.00786 X(o=-0.0079,f=-0.022) USER MOD Single : A 11 MET CE :methyl -155:sc= 0 (180deg=-0.13) USER MOD Single : A 13 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0311) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 29 TYR OH : rot 15:sc= 1 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.19 USER MOD Single : A 46 HIS : no HD1:sc= -2.13 K(o=-2.1,f=-5.3!) USER MOD Single : A 47 HIS : no HD1:sc= -0.486 X(o=-0.49,f=-0.51) USER MOD Single : A 56 CYS SG : rot -22:sc= -0.155 USER MOD Single : A 58 THR OG1 : rot -79:sc= 0.577 USER MOD Single : A 59 LYS NZ :NH3+ -136:sc= 0.599 (180deg=-0.00299) USER MOD Single : A 66 THR OG1 : rot 36:sc= 0.0373 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 150:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -0.111 F(o=-3.6!,f=-0.11) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.57) USER MOD Single : A 88 SER OG : rot -140:sc= -1.42! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 73:sc= 0.233 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.439 40.768 11.610 1.00 33.15 N ATOM 2 CA MET A 1 19.494 39.932 12.228 1.00 31.43 C ATOM 3 C MET A 1 18.877 38.837 13.100 1.00 13.14 C ATOM 4 O MET A 1 17.745 38.970 13.587 1.00 51.34 O ATOM 5 CB MET A 1 20.480 40.803 13.062 1.00 71.33 C ATOM 6 CG MET A 1 21.466 41.629 12.223 1.00 30.44 C ATOM 7 SD MET A 1 20.644 42.726 11.046 1.00 42.02 S ATOM 8 CE MET A 1 22.051 43.460 10.205 1.00 22.12 C ATOM 0 H1 MET A 1 18.810 41.724 11.437 1.00 33.15 H new ATOM 0 H2 MET A 1 18.143 40.343 10.708 1.00 33.15 H new ATOM 0 H3 MET A 1 17.621 40.825 12.250 1.00 33.15 H new ATOM 0 HA MET A 1 20.057 39.456 11.425 1.00 31.43 H new ATOM 0 HB2 MET A 1 19.903 41.480 13.692 1.00 71.33 H new ATOM 0 HB3 MET A 1 21.046 40.152 13.728 1.00 71.33 H new ATOM 0 HG2 MET A 1 22.092 42.223 12.889 1.00 30.44 H new ATOM 0 HG3 MET A 1 22.128 40.954 11.681 1.00 30.44 H new ATOM 0 HE1 MET A 1 21.698 44.161 9.448 1.00 22.12 H new ATOM 0 HE2 MET A 1 22.672 43.989 10.928 1.00 22.12 H new ATOM 0 HE3 MET A 1 22.639 42.676 9.727 1.00 22.12 H new ATOM 20 N GLY A 2 19.647 37.749 13.285 1.00 52.42 N ATOM 21 CA GLY A 2 19.281 36.654 14.177 1.00 4.41 C ATOM 22 C GLY A 2 18.874 35.391 13.436 1.00 2.20 C ATOM 23 O GLY A 2 18.576 35.426 12.238 1.00 2.00 O ATOM 0 H GLY A 2 20.542 37.612 12.815 1.00 52.42 H new ATOM 0 HA2 GLY A 2 20.124 36.429 14.831 1.00 4.41 H new ATOM 0 HA3 GLY A 2 18.458 36.974 14.816 1.00 4.41 H new ATOM 27 N HIS A 3 18.868 34.266 14.162 1.00 11.20 N ATOM 28 CA HIS A 3 18.341 32.983 13.658 1.00 43.51 C ATOM 29 C HIS A 3 16.823 32.905 13.887 1.00 72.31 C ATOM 30 O HIS A 3 16.116 32.270 13.097 1.00 55.30 O ATOM 31 CB HIS A 3 19.073 31.771 14.309 1.00 52.14 C ATOM 32 CG HIS A 3 19.179 31.813 15.813 1.00 22.23 C ATOM 33 ND1 HIS A 3 20.282 32.324 16.462 1.00 33.11 N ATOM 34 CD2 HIS A 3 18.331 31.407 16.792 1.00 34.11 C ATOM 35 CE1 HIS A 3 20.112 32.231 17.764 1.00 22.31 C ATOM 36 NE2 HIS A 3 18.937 31.681 17.992 1.00 64.34 N ATOM 0 H HIS A 3 19.227 34.215 15.115 1.00 11.20 H new ATOM 0 HA HIS A 3 18.531 32.935 12.586 1.00 43.51 H new ATOM 0 HB2 HIS A 3 18.552 30.857 14.024 1.00 52.14 H new ATOM 0 HB3 HIS A 3 20.078 31.708 13.892 1.00 52.14 H new ATOM 0 HD2 HIS A 3 17.361 30.953 16.652 1.00 34.11 H new ATOM 0 HE1 HIS A 3 20.816 32.551 18.517 1.00 22.31 H new ATOM 0 HE2 HIS A 3 18.541 31.490 18.912 1.00 64.34 H new ATOM 45 N HIS A 4 16.344 33.576 14.975 1.00 43.32 N ATOM 46 CA HIS A 4 14.916 33.580 15.412 1.00 11.33 C ATOM 47 C HIS A 4 14.461 32.164 15.845 1.00 23.50 C ATOM 48 O HIS A 4 15.167 31.172 15.610 1.00 61.55 O ATOM 49 CB HIS A 4 13.972 34.172 14.313 1.00 24.34 C ATOM 50 CG HIS A 4 14.253 35.618 13.953 1.00 12.23 C ATOM 51 ND1 HIS A 4 13.351 36.641 14.159 1.00 63.33 N ATOM 52 CD2 HIS A 4 15.340 36.202 13.386 1.00 42.11 C ATOM 53 CE1 HIS A 4 13.872 37.780 13.738 1.00 42.21 C ATOM 54 NE2 HIS A 4 15.075 37.540 13.269 1.00 32.35 N ATOM 0 H HIS A 4 16.946 34.135 15.579 1.00 43.32 H new ATOM 0 HA HIS A 4 14.844 34.234 16.281 1.00 11.33 H new ATOM 0 HB2 HIS A 4 14.058 33.564 13.413 1.00 24.34 H new ATOM 0 HB3 HIS A 4 12.941 34.090 14.656 1.00 24.34 H new ATOM 0 HD2 HIS A 4 16.248 35.702 13.083 1.00 42.11 H new ATOM 0 HE1 HIS A 4 13.390 38.746 13.774 1.00 42.21 H new ATOM 0 HE2 HIS A 4 15.709 38.238 12.880 1.00 32.35 H new ATOM 63 N HIS A 5 13.285 32.070 16.501 1.00 24.41 N ATOM 64 CA HIS A 5 12.744 30.773 16.955 1.00 31.33 C ATOM 65 C HIS A 5 11.234 30.858 17.276 1.00 62.30 C ATOM 66 O HIS A 5 10.810 31.641 18.136 1.00 42.12 O ATOM 67 CB HIS A 5 13.546 30.207 18.171 1.00 13.13 C ATOM 68 CG HIS A 5 13.582 31.078 19.405 1.00 64.10 C ATOM 69 ND1 HIS A 5 12.954 30.737 20.578 1.00 32.44 N ATOM 70 CD2 HIS A 5 14.210 32.254 19.652 1.00 61.15 C ATOM 71 CE1 HIS A 5 13.189 31.655 21.492 1.00 52.04 C ATOM 72 NE2 HIS A 5 13.951 32.583 20.957 1.00 14.40 N ATOM 0 H HIS A 5 12.696 32.872 16.727 1.00 24.41 H new ATOM 0 HA HIS A 5 12.863 30.075 16.126 1.00 31.33 H new ATOM 0 HB2 HIS A 5 13.120 29.242 18.444 1.00 13.13 H new ATOM 0 HB3 HIS A 5 14.571 30.023 17.850 1.00 13.13 H new ATOM 0 HD2 HIS A 5 14.803 32.824 18.952 1.00 61.15 H new ATOM 0 HE1 HIS A 5 12.819 31.647 22.507 1.00 52.04 H new ATOM 0 HE2 HIS A 5 14.295 33.415 21.437 1.00 14.40 H new ATOM 81 N HIS A 6 10.440 30.070 16.523 1.00 3.30 N ATOM 82 CA HIS A 6 9.055 29.708 16.869 1.00 73.12 C ATOM 83 C HIS A 6 8.692 28.433 16.076 1.00 54.20 C ATOM 84 O HIS A 6 8.869 28.379 14.851 1.00 13.15 O ATOM 85 CB HIS A 6 8.035 30.866 16.636 1.00 64.45 C ATOM 86 CG HIS A 6 7.713 31.206 15.201 1.00 42.01 C ATOM 87 ND1 HIS A 6 6.494 30.916 14.624 1.00 52.32 N ATOM 88 CD2 HIS A 6 8.430 31.849 14.247 1.00 20.11 C ATOM 89 CE1 HIS A 6 6.473 31.366 13.389 1.00 3.03 C ATOM 90 NE2 HIS A 6 7.634 31.937 13.133 1.00 71.35 N ATOM 0 H HIS A 6 10.751 29.661 15.642 1.00 3.30 H new ATOM 0 HA HIS A 6 8.993 29.514 17.940 1.00 73.12 H new ATOM 0 HB2 HIS A 6 7.105 30.607 17.142 1.00 64.45 H new ATOM 0 HB3 HIS A 6 8.422 31.763 17.120 1.00 64.45 H new ATOM 0 HD2 HIS A 6 9.439 32.222 14.345 1.00 20.11 H new ATOM 0 HE1 HIS A 6 5.645 31.282 12.701 1.00 3.03 H new ATOM 0 HE2 HIS A 6 7.898 32.373 12.250 1.00 71.35 H new ATOM 99 N HIS A 7 8.217 27.404 16.790 1.00 22.15 N ATOM 100 CA HIS A 7 8.070 26.032 16.258 1.00 34.21 C ATOM 101 C HIS A 7 6.598 25.644 16.071 1.00 3.33 C ATOM 102 O HIS A 7 5.720 26.180 16.758 1.00 33.21 O ATOM 103 CB HIS A 7 8.765 25.022 17.220 1.00 74.30 C ATOM 104 CG HIS A 7 8.301 25.108 18.664 1.00 51.14 C ATOM 105 ND1 HIS A 7 9.028 25.743 19.644 1.00 10.21 N ATOM 106 CD2 HIS A 7 7.180 24.653 19.284 1.00 31.22 C ATOM 107 CE1 HIS A 7 8.384 25.679 20.788 1.00 20.33 C ATOM 108 NE2 HIS A 7 7.262 25.024 20.598 1.00 44.14 N ATOM 0 H HIS A 7 7.920 27.495 17.762 1.00 22.15 H new ATOM 0 HA HIS A 7 8.545 26.001 15.277 1.00 34.21 H new ATOM 0 HB2 HIS A 7 8.588 24.011 16.854 1.00 74.30 H new ATOM 0 HB3 HIS A 7 9.842 25.190 17.187 1.00 74.30 H new ATOM 0 HD2 HIS A 7 6.374 24.101 18.824 1.00 31.22 H new ATOM 0 HE1 HIS A 7 8.721 26.095 21.726 1.00 20.33 H new ATOM 0 HE2 HIS A 7 6.564 24.824 21.315 1.00 44.14 H new ATOM 117 N HIS A 8 6.363 24.726 15.103 1.00 41.42 N ATOM 118 CA HIS A 8 5.108 23.936 14.960 1.00 31.20 C ATOM 119 C HIS A 8 3.852 24.830 14.742 1.00 3.40 C ATOM 120 O HIS A 8 2.713 24.371 14.906 1.00 64.24 O ATOM 121 CB HIS A 8 4.957 22.989 16.206 1.00 64.52 C ATOM 122 CG HIS A 8 4.116 21.748 15.997 1.00 31.12 C ATOM 123 ND1 HIS A 8 3.493 21.087 17.033 1.00 14.10 N ATOM 124 CD2 HIS A 8 3.858 21.012 14.885 1.00 41.04 C ATOM 125 CE1 HIS A 8 2.894 20.006 16.572 1.00 24.21 C ATOM 126 NE2 HIS A 8 3.100 19.935 15.270 1.00 12.34 N ATOM 0 H HIS A 8 7.052 24.507 14.383 1.00 41.42 H new ATOM 0 HA HIS A 8 5.181 23.330 14.057 1.00 31.20 H new ATOM 0 HB2 HIS A 8 5.952 22.680 16.525 1.00 64.52 H new ATOM 0 HB3 HIS A 8 4.524 23.564 17.024 1.00 64.52 H new ATOM 0 HD2 HIS A 8 4.189 21.234 13.881 1.00 41.04 H new ATOM 0 HE1 HIS A 8 2.330 19.298 17.161 1.00 24.21 H new ATOM 0 HE2 HIS A 8 2.753 19.201 14.652 1.00 12.34 H new ATOM 135 N SER A 9 4.085 26.092 14.321 1.00 23.44 N ATOM 136 CA SER A 9 3.036 27.116 14.187 1.00 11.05 C ATOM 137 C SER A 9 2.192 26.880 12.918 1.00 74.31 C ATOM 138 O SER A 9 0.957 26.960 12.955 1.00 64.54 O ATOM 139 CB SER A 9 3.689 28.516 14.170 1.00 11.34 C ATOM 140 OG SER A 9 4.530 28.709 15.305 1.00 64.53 O ATOM 0 H SER A 9 5.013 26.427 14.064 1.00 23.44 H new ATOM 0 HA SER A 9 2.361 27.050 15.040 1.00 11.05 H new ATOM 0 HB2 SER A 9 4.273 28.636 13.257 1.00 11.34 H new ATOM 0 HB3 SER A 9 2.913 29.281 14.155 1.00 11.34 H new ATOM 0 HG SER A 9 5.169 29.429 15.120 1.00 64.53 H new ATOM 146 N HIS A 10 2.876 26.587 11.795 1.00 71.41 N ATOM 147 CA HIS A 10 2.223 26.244 10.519 1.00 72.51 C ATOM 148 C HIS A 10 3.063 25.189 9.784 1.00 34.21 C ATOM 149 O HIS A 10 4.266 25.376 9.565 1.00 44.02 O ATOM 150 CB HIS A 10 1.981 27.502 9.629 1.00 54.25 C ATOM 151 CG HIS A 10 3.217 28.221 9.134 1.00 44.53 C ATOM 152 ND1 HIS A 10 3.611 28.214 7.812 1.00 1.22 N ATOM 153 CD2 HIS A 10 4.117 29.001 9.779 1.00 71.24 C ATOM 154 CE1 HIS A 10 4.687 28.951 7.668 1.00 42.31 C ATOM 155 NE2 HIS A 10 5.017 29.442 8.843 1.00 35.30 N ATOM 0 H HIS A 10 3.895 26.582 11.748 1.00 71.41 H new ATOM 0 HA HIS A 10 1.239 25.829 10.735 1.00 72.51 H new ATOM 0 HB2 HIS A 10 1.391 27.200 8.764 1.00 54.25 H new ATOM 0 HB3 HIS A 10 1.377 28.211 10.195 1.00 54.25 H new ATOM 0 HD2 HIS A 10 4.124 29.233 10.834 1.00 71.24 H new ATOM 0 HE1 HIS A 10 5.213 29.125 6.741 1.00 42.31 H new ATOM 0 HE2 HIS A 10 5.813 30.052 9.028 1.00 35.30 H new ATOM 164 N MET A 11 2.427 24.054 9.468 1.00 2.32 N ATOM 165 CA MET A 11 3.032 22.956 8.693 1.00 74.21 C ATOM 166 C MET A 11 2.032 22.505 7.614 1.00 11.21 C ATOM 167 O MET A 11 0.819 22.625 7.831 1.00 33.44 O ATOM 168 CB MET A 11 3.403 21.752 9.617 1.00 45.33 C ATOM 169 CG MET A 11 4.558 22.017 10.596 1.00 55.24 C ATOM 170 SD MET A 11 5.110 20.517 11.435 1.00 51.13 S ATOM 171 CE MET A 11 6.625 21.076 12.211 1.00 43.40 C ATOM 0 H MET A 11 1.464 23.867 9.746 1.00 2.32 H new ATOM 0 HA MET A 11 3.951 23.312 8.228 1.00 74.21 H new ATOM 0 HB2 MET A 11 2.520 21.467 10.189 1.00 45.33 H new ATOM 0 HB3 MET A 11 3.666 20.900 8.990 1.00 45.33 H new ATOM 0 HG2 MET A 11 5.396 22.456 10.054 1.00 55.24 H new ATOM 0 HG3 MET A 11 4.240 22.749 11.339 1.00 55.24 H new ATOM 0 HE1 MET A 11 7.286 20.225 12.374 1.00 43.40 H new ATOM 0 HE2 MET A 11 7.119 21.801 11.564 1.00 43.40 H new ATOM 0 HE3 MET A 11 6.393 21.543 13.168 1.00 43.40 H new ATOM 181 N PRO A 12 2.511 22.004 6.428 1.00 33.32 N ATOM 182 CA PRO A 12 1.621 21.465 5.377 1.00 2.11 C ATOM 183 C PRO A 12 0.871 20.206 5.863 1.00 5.41 C ATOM 184 O PRO A 12 1.387 19.081 5.779 1.00 60.50 O ATOM 185 CB PRO A 12 2.584 21.159 4.193 1.00 72.22 C ATOM 186 CG PRO A 12 3.938 21.005 4.828 1.00 43.05 C ATOM 187 CD PRO A 12 3.945 21.955 6.008 1.00 4.01 C ATOM 0 HA PRO A 12 0.832 22.161 5.093 1.00 2.11 H new ATOM 0 HB2 PRO A 12 2.288 20.251 3.667 1.00 72.22 H new ATOM 0 HB3 PRO A 12 2.580 21.967 3.461 1.00 72.22 H new ATOM 0 HG2 PRO A 12 4.105 19.977 5.151 1.00 43.05 H new ATOM 0 HG3 PRO A 12 4.732 21.250 4.123 1.00 43.05 H new ATOM 0 HD2 PRO A 12 4.586 21.592 6.811 1.00 4.01 H new ATOM 0 HD3 PRO A 12 4.314 22.941 5.727 1.00 4.01 H new ATOM 195 N LYS A 13 -0.339 20.419 6.420 1.00 62.25 N ATOM 196 CA LYS A 13 -1.218 19.315 6.852 1.00 54.42 C ATOM 197 C LYS A 13 -1.710 18.531 5.624 1.00 14.14 C ATOM 198 O LYS A 13 -1.562 19.003 4.485 1.00 52.23 O ATOM 199 CB LYS A 13 -2.428 19.825 7.670 1.00 23.13 C ATOM 200 CG LYS A 13 -2.076 20.733 8.870 1.00 32.25 C ATOM 201 CD LYS A 13 -3.263 20.914 9.854 1.00 63.02 C ATOM 202 CE LYS A 13 -4.608 21.226 9.159 1.00 14.45 C ATOM 203 NZ LYS A 13 -4.546 22.424 8.285 1.00 33.32 N ATOM 0 H LYS A 13 -0.729 21.348 6.581 1.00 62.25 H new ATOM 0 HA LYS A 13 -0.635 18.661 7.500 1.00 54.42 H new ATOM 0 HB2 LYS A 13 -3.092 20.374 7.002 1.00 23.13 H new ATOM 0 HB3 LYS A 13 -2.986 18.964 8.038 1.00 23.13 H new ATOM 0 HG2 LYS A 13 -1.227 20.307 9.406 1.00 32.25 H new ATOM 0 HG3 LYS A 13 -1.763 21.710 8.501 1.00 32.25 H new ATOM 0 HD2 LYS A 13 -3.373 20.006 10.447 1.00 63.02 H new ATOM 0 HD3 LYS A 13 -3.028 21.721 10.548 1.00 63.02 H new ATOM 0 HE2 LYS A 13 -4.911 20.365 8.564 1.00 14.45 H new ATOM 0 HE3 LYS A 13 -5.376 21.376 9.918 1.00 14.45 H new ATOM 0 HZ1 LYS A 13 -5.470 22.901 8.284 1.00 33.32 H new ATOM 0 HZ2 LYS A 13 -3.820 23.077 8.642 1.00 33.32 H new ATOM 0 HZ3 LYS A 13 -4.305 22.134 7.316 1.00 33.32 H new ATOM 217 N ALA A 14 -2.314 17.357 5.878 1.00 43.40 N ATOM 218 CA ALA A 14 -2.658 16.367 4.844 1.00 73.54 C ATOM 219 C ALA A 14 -1.377 15.736 4.260 1.00 71.12 C ATOM 220 O ALA A 14 -1.069 14.615 4.587 1.00 42.24 O ATOM 221 CB ALA A 14 -3.581 16.935 3.737 1.00 52.42 C ATOM 0 H ALA A 14 -2.580 17.066 6.819 1.00 43.40 H new ATOM 0 HA ALA A 14 -3.240 15.584 5.330 1.00 73.54 H new ATOM 0 HB1 ALA A 14 -3.796 16.155 3.007 1.00 52.42 H new ATOM 0 HB2 ALA A 14 -4.513 17.282 4.183 1.00 52.42 H new ATOM 0 HB3 ALA A 14 -3.084 17.769 3.241 1.00 52.42 H new ATOM 227 N THR A 15 -0.603 16.499 3.457 1.00 13.20 N ATOM 228 CA THR A 15 0.571 15.978 2.727 1.00 61.23 C ATOM 229 C THR A 15 1.661 15.419 3.682 1.00 51.11 C ATOM 230 O THR A 15 1.975 14.228 3.627 1.00 3.33 O ATOM 231 CB THR A 15 1.183 17.085 1.805 1.00 65.14 C ATOM 232 OG1 THR A 15 0.126 17.744 1.090 1.00 51.13 O ATOM 233 CG2 THR A 15 2.195 16.505 0.791 1.00 14.53 C ATOM 0 H THR A 15 -0.775 17.492 3.298 1.00 13.20 H new ATOM 0 HA THR A 15 0.218 15.150 2.112 1.00 61.23 H new ATOM 0 HB THR A 15 1.716 17.790 2.443 1.00 65.14 H new ATOM 0 HG1 THR A 15 0.505 18.439 0.513 1.00 51.13 H new ATOM 0 HG21 THR A 15 2.593 17.310 0.173 1.00 14.53 H new ATOM 0 HG22 THR A 15 3.011 16.022 1.328 1.00 14.53 H new ATOM 0 HG23 THR A 15 1.695 15.774 0.156 1.00 14.53 H new ATOM 241 N ALA A 16 2.197 16.286 4.579 1.00 72.35 N ATOM 242 CA ALA A 16 3.302 15.919 5.511 1.00 51.11 C ATOM 243 C ALA A 16 2.822 14.963 6.620 1.00 61.23 C ATOM 244 O ALA A 16 3.602 14.138 7.120 1.00 71.14 O ATOM 245 CB ALA A 16 3.934 17.181 6.131 1.00 25.23 C ATOM 0 H ALA A 16 1.881 17.251 4.679 1.00 72.35 H new ATOM 0 HA ALA A 16 4.058 15.396 4.926 1.00 51.11 H new ATOM 0 HB1 ALA A 16 4.738 16.891 6.808 1.00 25.23 H new ATOM 0 HB2 ALA A 16 4.337 17.813 5.339 1.00 25.23 H new ATOM 0 HB3 ALA A 16 3.175 17.733 6.685 1.00 25.23 H new ATOM 251 N GLN A 17 1.530 15.080 6.987 1.00 21.11 N ATOM 252 CA GLN A 17 0.914 14.246 8.037 1.00 30.31 C ATOM 253 C GLN A 17 0.790 12.796 7.513 1.00 43.12 C ATOM 254 O GLN A 17 1.274 11.845 8.138 1.00 73.44 O ATOM 255 CB GLN A 17 -0.485 14.840 8.437 1.00 41.15 C ATOM 256 CG GLN A 17 -0.944 14.540 9.887 1.00 21.14 C ATOM 257 CD GLN A 17 -1.232 13.063 10.198 1.00 64.31 C ATOM 258 OE1 GLN A 17 -1.755 12.313 9.369 1.00 65.12 O ATOM 259 NE2 GLN A 17 -0.842 12.625 11.383 1.00 73.33 N ATOM 0 H GLN A 17 0.888 15.752 6.566 1.00 21.11 H new ATOM 0 HA GLN A 17 1.536 14.240 8.932 1.00 30.31 H new ATOM 0 HB2 GLN A 17 -0.455 15.921 8.300 1.00 41.15 H new ATOM 0 HB3 GLN A 17 -1.236 14.452 7.749 1.00 41.15 H new ATOM 0 HG2 GLN A 17 -0.175 14.894 10.573 1.00 21.14 H new ATOM 0 HG3 GLN A 17 -1.845 15.119 10.091 1.00 21.14 H new ATOM 0 HE21 GLN A 17 -0.413 13.268 12.048 1.00 73.33 H new ATOM 0 HE22 GLN A 17 -0.971 11.644 11.632 1.00 73.33 H new ATOM 268 N MET A 18 0.136 12.679 6.348 1.00 33.44 N ATOM 269 CA MET A 18 -0.034 11.420 5.597 1.00 63.11 C ATOM 270 C MET A 18 1.322 10.805 5.211 1.00 52.31 C ATOM 271 O MET A 18 1.451 9.583 5.169 1.00 33.10 O ATOM 272 CB MET A 18 -0.848 11.711 4.321 1.00 34.24 C ATOM 273 CG MET A 18 -1.132 10.525 3.405 1.00 33.42 C ATOM 274 SD MET A 18 -1.729 11.061 1.787 1.00 2.32 S ATOM 275 CE MET A 18 -0.286 11.943 1.185 1.00 52.31 C ATOM 0 H MET A 18 -0.302 13.477 5.887 1.00 33.44 H new ATOM 0 HA MET A 18 -0.556 10.704 6.232 1.00 63.11 H new ATOM 0 HB2 MET A 18 -1.802 12.148 4.618 1.00 34.24 H new ATOM 0 HB3 MET A 18 -0.317 12.468 3.744 1.00 34.24 H new ATOM 0 HG2 MET A 18 -0.224 9.935 3.281 1.00 33.42 H new ATOM 0 HG3 MET A 18 -1.873 9.875 3.870 1.00 33.42 H new ATOM 0 HE1 MET A 18 -0.196 11.802 0.108 1.00 52.31 H new ATOM 0 HE2 MET A 18 -0.391 13.006 1.404 1.00 52.31 H new ATOM 0 HE3 MET A 18 0.607 11.558 1.677 1.00 52.31 H new ATOM 285 N GLU A 19 2.310 11.677 4.905 1.00 74.23 N ATOM 286 CA GLU A 19 3.695 11.263 4.638 1.00 72.24 C ATOM 287 C GLU A 19 4.254 10.538 5.862 1.00 5.21 C ATOM 288 O GLU A 19 4.723 9.423 5.736 1.00 62.40 O ATOM 289 CB GLU A 19 4.602 12.478 4.325 1.00 12.11 C ATOM 290 CG GLU A 19 6.098 12.120 4.111 1.00 75.01 C ATOM 291 CD GLU A 19 7.062 13.255 4.502 1.00 1.51 C ATOM 292 OE1 GLU A 19 7.377 13.388 5.706 1.00 44.54 O ATOM 293 OE2 GLU A 19 7.506 14.016 3.621 1.00 13.20 O ATOM 0 H GLU A 19 2.164 12.684 4.838 1.00 74.23 H new ATOM 0 HA GLU A 19 3.685 10.604 3.770 1.00 72.24 H new ATOM 0 HB2 GLU A 19 4.228 12.975 3.430 1.00 12.11 H new ATOM 0 HB3 GLU A 19 4.525 13.194 5.143 1.00 12.11 H new ATOM 0 HG2 GLU A 19 6.338 11.232 4.696 1.00 75.01 H new ATOM 0 HG3 GLU A 19 6.256 11.864 3.063 1.00 75.01 H new ATOM 300 N GLU A 20 4.180 11.201 7.039 1.00 23.03 N ATOM 301 CA GLU A 20 4.722 10.663 8.308 1.00 4.53 C ATOM 302 C GLU A 20 4.028 9.341 8.702 1.00 14.52 C ATOM 303 O GLU A 20 4.670 8.418 9.225 1.00 34.13 O ATOM 304 CB GLU A 20 4.592 11.712 9.446 1.00 12.12 C ATOM 305 CG GLU A 20 5.326 11.332 10.756 1.00 44.01 C ATOM 306 CD GLU A 20 6.861 11.251 10.591 1.00 62.45 C ATOM 307 OE1 GLU A 20 7.534 12.299 10.714 1.00 12.53 O ATOM 308 OE2 GLU A 20 7.402 10.150 10.346 1.00 54.02 O ATOM 0 H GLU A 20 3.745 12.119 7.136 1.00 23.03 H new ATOM 0 HA GLU A 20 5.779 10.448 8.154 1.00 4.53 H new ATOM 0 HB2 GLU A 20 4.981 12.666 9.090 1.00 12.12 H new ATOM 0 HB3 GLU A 20 3.535 11.861 9.667 1.00 12.12 H new ATOM 0 HG2 GLU A 20 5.088 12.067 11.525 1.00 44.01 H new ATOM 0 HG3 GLU A 20 4.953 10.370 11.108 1.00 44.01 H new ATOM 315 N LYS A 21 2.720 9.270 8.426 1.00 63.23 N ATOM 316 CA LYS A 21 1.918 8.047 8.593 1.00 10.21 C ATOM 317 C LYS A 21 2.437 6.926 7.675 1.00 22.21 C ATOM 318 O LYS A 21 2.606 5.789 8.113 1.00 24.21 O ATOM 319 CB LYS A 21 0.434 8.357 8.273 1.00 11.24 C ATOM 320 CG LYS A 21 -0.333 9.132 9.365 1.00 25.54 C ATOM 321 CD LYS A 21 -0.824 8.215 10.508 1.00 51.11 C ATOM 322 CE LYS A 21 -1.624 8.984 11.568 1.00 44.22 C ATOM 323 NZ LYS A 21 -2.778 9.723 10.977 1.00 31.34 N ATOM 0 H LYS A 21 2.183 10.064 8.078 1.00 63.23 H new ATOM 0 HA LYS A 21 2.003 7.706 9.625 1.00 10.21 H new ATOM 0 HB2 LYS A 21 0.392 8.931 7.347 1.00 11.24 H new ATOM 0 HB3 LYS A 21 -0.084 7.416 8.088 1.00 11.24 H new ATOM 0 HG2 LYS A 21 0.313 9.907 9.777 1.00 25.54 H new ATOM 0 HG3 LYS A 21 -1.188 9.636 8.915 1.00 25.54 H new ATOM 0 HD2 LYS A 21 -1.445 7.421 10.093 1.00 51.11 H new ATOM 0 HD3 LYS A 21 0.034 7.735 10.980 1.00 51.11 H new ATOM 0 HE2 LYS A 21 -1.989 8.287 12.322 1.00 44.22 H new ATOM 0 HE3 LYS A 21 -0.966 9.688 12.077 1.00 44.22 H new ATOM 0 HZ1 LYS A 21 -3.420 10.028 11.736 1.00 31.34 H new ATOM 0 HZ2 LYS A 21 -2.429 10.557 10.463 1.00 31.34 H new ATOM 0 HZ3 LYS A 21 -3.290 9.100 10.320 1.00 31.34 H new ATOM 337 N LEU A 22 2.685 7.281 6.399 1.00 3.23 N ATOM 338 CA LEU A 22 3.162 6.350 5.360 1.00 60.05 C ATOM 339 C LEU A 22 4.608 5.887 5.686 1.00 14.23 C ATOM 340 O LEU A 22 4.978 4.724 5.428 1.00 14.03 O ATOM 341 CB LEU A 22 3.060 7.050 3.957 1.00 71.12 C ATOM 342 CG LEU A 22 2.657 6.154 2.742 1.00 21.13 C ATOM 343 CD1 LEU A 22 2.395 7.008 1.478 1.00 14.31 C ATOM 344 CD2 LEU A 22 3.705 5.060 2.475 1.00 12.14 C ATOM 0 H LEU A 22 2.558 8.234 6.058 1.00 3.23 H new ATOM 0 HA LEU A 22 2.539 5.456 5.335 1.00 60.05 H new ATOM 0 HB2 LEU A 22 2.335 7.860 4.035 1.00 71.12 H new ATOM 0 HB3 LEU A 22 4.025 7.506 3.736 1.00 71.12 H new ATOM 0 HG LEU A 22 1.724 5.652 3.000 1.00 21.13 H new ATOM 0 HD11 LEU A 22 2.117 6.356 0.650 1.00 14.31 H new ATOM 0 HD12 LEU A 22 1.585 7.710 1.675 1.00 14.31 H new ATOM 0 HD13 LEU A 22 3.298 7.560 1.218 1.00 14.31 H new ATOM 0 HD21 LEU A 22 3.392 4.456 1.623 1.00 12.14 H new ATOM 0 HD22 LEU A 22 4.667 5.523 2.257 1.00 12.14 H new ATOM 0 HD23 LEU A 22 3.800 4.424 3.355 1.00 12.14 H new ATOM 356 N ARG A 23 5.394 6.804 6.301 1.00 73.22 N ATOM 357 CA ARG A 23 6.764 6.533 6.753 1.00 1.51 C ATOM 358 C ARG A 23 6.702 5.439 7.805 1.00 0.13 C ATOM 359 O ARG A 23 7.234 4.363 7.583 1.00 34.23 O ATOM 360 CB ARG A 23 7.451 7.813 7.329 1.00 24.24 C ATOM 361 CG ARG A 23 7.770 8.885 6.265 1.00 22.13 C ATOM 362 CD ARG A 23 8.179 10.253 6.844 1.00 0.55 C ATOM 363 NE ARG A 23 9.572 10.312 7.317 1.00 12.12 N ATOM 364 CZ ARG A 23 10.242 11.451 7.576 1.00 42.52 C ATOM 365 NH1 ARG A 23 9.657 12.641 7.407 1.00 34.43 N ATOM 366 NH2 ARG A 23 11.509 11.399 7.961 1.00 51.40 N ATOM 0 H ARG A 23 5.085 7.757 6.495 1.00 73.22 H new ATOM 0 HA ARG A 23 7.367 6.213 5.903 1.00 1.51 H new ATOM 0 HB2 ARG A 23 6.803 8.251 8.088 1.00 24.24 H new ATOM 0 HB3 ARG A 23 8.376 7.524 7.828 1.00 24.24 H new ATOM 0 HG2 ARG A 23 8.574 8.519 5.627 1.00 22.13 H new ATOM 0 HG3 ARG A 23 6.895 9.020 5.629 1.00 22.13 H new ATOM 0 HD2 ARG A 23 8.033 11.017 6.081 1.00 0.55 H new ATOM 0 HD3 ARG A 23 7.514 10.499 7.672 1.00 0.55 H new ATOM 0 HE ARG A 23 10.063 9.429 7.458 1.00 12.12 H new ATOM 0 HH11 ARG A 23 8.693 12.693 7.079 1.00 34.43 H new ATOM 0 HH12 ARG A 23 10.175 13.497 7.607 1.00 34.43 H new ATOM 0 HH21 ARG A 23 11.975 10.497 8.061 1.00 51.40 H new ATOM 0 HH22 ARG A 23 12.018 12.261 8.158 1.00 51.40 H new ATOM 380 N ASP A 24 5.938 5.711 8.886 1.00 54.32 N ATOM 381 CA ASP A 24 5.753 4.782 10.025 1.00 25.21 C ATOM 382 C ASP A 24 5.109 3.454 9.575 1.00 31.45 C ATOM 383 O ASP A 24 5.375 2.394 10.161 1.00 51.51 O ATOM 384 CB ASP A 24 4.887 5.461 11.118 1.00 33.02 C ATOM 385 CG ASP A 24 4.688 4.595 12.383 1.00 4.44 C ATOM 386 OD1 ASP A 24 5.658 4.421 13.150 1.00 11.12 O ATOM 387 OD2 ASP A 24 3.560 4.102 12.623 1.00 61.41 O ATOM 0 H ASP A 24 5.428 6.588 8.994 1.00 54.32 H new ATOM 0 HA ASP A 24 6.735 4.546 10.436 1.00 25.21 H new ATOM 0 HB2 ASP A 24 5.353 6.404 11.404 1.00 33.02 H new ATOM 0 HB3 ASP A 24 3.911 5.703 10.697 1.00 33.02 H new ATOM 392 N PHE A 25 4.281 3.536 8.517 1.00 45.23 N ATOM 393 CA PHE A 25 3.610 2.376 7.919 1.00 70.11 C ATOM 394 C PHE A 25 4.657 1.409 7.334 1.00 72.15 C ATOM 395 O PHE A 25 4.929 0.361 7.928 1.00 11.44 O ATOM 396 CB PHE A 25 2.607 2.871 6.828 1.00 64.44 C ATOM 397 CG PHE A 25 1.871 1.780 6.035 1.00 34.43 C ATOM 398 CD1 PHE A 25 0.740 1.156 6.557 1.00 71.42 C ATOM 399 CD2 PHE A 25 2.306 1.394 4.761 1.00 21.31 C ATOM 400 CE1 PHE A 25 0.079 0.181 5.839 1.00 45.34 C ATOM 401 CE2 PHE A 25 1.643 0.417 4.048 1.00 75.30 C ATOM 402 CZ PHE A 25 0.532 -0.186 4.588 1.00 75.35 C ATOM 0 H PHE A 25 4.060 4.417 8.053 1.00 45.23 H new ATOM 0 HA PHE A 25 3.049 1.832 8.679 1.00 70.11 H new ATOM 0 HB2 PHE A 25 1.863 3.505 7.310 1.00 64.44 H new ATOM 0 HB3 PHE A 25 3.151 3.499 6.122 1.00 64.44 H new ATOM 0 HD1 PHE A 25 0.377 1.439 7.534 1.00 71.42 H new ATOM 0 HD2 PHE A 25 3.175 1.869 4.330 1.00 21.31 H new ATOM 0 HE1 PHE A 25 -0.795 -0.296 6.257 1.00 45.34 H new ATOM 0 HE2 PHE A 25 1.995 0.127 3.069 1.00 75.30 H new ATOM 0 HZ PHE A 25 0.011 -0.951 4.031 1.00 75.35 H new ATOM 412 N THR A 26 5.334 1.828 6.246 1.00 32.41 N ATOM 413 CA THR A 26 6.175 0.911 5.438 1.00 54.33 C ATOM 414 C THR A 26 7.561 0.678 6.097 1.00 64.52 C ATOM 415 O THR A 26 8.315 -0.207 5.693 1.00 64.31 O ATOM 416 CB THR A 26 6.331 1.403 3.946 1.00 25.41 C ATOM 417 OG1 THR A 26 5.265 2.303 3.577 1.00 21.32 O ATOM 418 CG2 THR A 26 6.317 0.211 2.964 1.00 4.15 C ATOM 0 H THR A 26 5.318 2.789 5.905 1.00 32.41 H new ATOM 0 HA THR A 26 5.654 -0.046 5.408 1.00 54.33 H new ATOM 0 HB THR A 26 7.287 1.922 3.886 1.00 25.41 H new ATOM 0 HG1 THR A 26 5.388 2.593 2.649 1.00 21.32 H new ATOM 0 HG21 THR A 26 6.426 0.579 1.944 1.00 4.15 H new ATOM 0 HG22 THR A 26 7.142 -0.462 3.197 1.00 4.15 H new ATOM 0 HG23 THR A 26 5.373 -0.326 3.057 1.00 4.15 H new ATOM 426 N ARG A 27 7.886 1.542 7.068 1.00 12.30 N ATOM 427 CA ARG A 27 9.001 1.370 8.036 1.00 72.40 C ATOM 428 C ARG A 27 9.018 -0.041 8.657 1.00 2.43 C ATOM 429 O ARG A 27 10.063 -0.704 8.708 1.00 2.21 O ATOM 430 CB ARG A 27 8.764 2.417 9.147 1.00 23.34 C ATOM 431 CG ARG A 27 9.653 2.384 10.401 1.00 70.22 C ATOM 432 CD ARG A 27 9.092 3.349 11.465 1.00 1.12 C ATOM 433 NE ARG A 27 9.933 3.454 12.656 1.00 33.32 N ATOM 434 CZ ARG A 27 9.605 4.137 13.761 1.00 15.30 C ATOM 435 NH1 ARG A 27 8.438 4.778 13.856 1.00 30.25 N ATOM 436 NH2 ARG A 27 10.447 4.171 14.772 1.00 41.04 N ATOM 0 H ARG A 27 7.370 2.410 7.214 1.00 12.30 H new ATOM 0 HA ARG A 27 9.958 1.501 7.531 1.00 72.40 H new ATOM 0 HB2 ARG A 27 8.866 3.404 8.697 1.00 23.34 H new ATOM 0 HB3 ARG A 27 7.729 2.322 9.474 1.00 23.34 H new ATOM 0 HG2 ARG A 27 9.695 1.371 10.802 1.00 70.22 H new ATOM 0 HG3 ARG A 27 10.673 2.667 10.142 1.00 70.22 H new ATOM 0 HD2 ARG A 27 8.977 4.338 11.022 1.00 1.12 H new ATOM 0 HD3 ARG A 27 8.098 3.014 11.760 1.00 1.12 H new ATOM 0 HE ARG A 27 10.833 2.974 12.645 1.00 33.32 H new ATOM 0 HH11 ARG A 27 7.778 4.753 13.079 1.00 30.25 H new ATOM 0 HH12 ARG A 27 8.206 5.293 14.706 1.00 30.25 H new ATOM 0 HH21 ARG A 27 11.339 3.680 14.709 1.00 41.04 H new ATOM 0 HH22 ARG A 27 10.207 4.688 15.618 1.00 41.04 H new ATOM 450 N ALA A 28 7.824 -0.477 9.095 1.00 1.33 N ATOM 451 CA ALA A 28 7.642 -1.689 9.907 1.00 4.41 C ATOM 452 C ALA A 28 7.895 -2.987 9.118 1.00 62.13 C ATOM 453 O ALA A 28 8.333 -3.989 9.693 1.00 41.01 O ATOM 454 CB ALA A 28 6.225 -1.688 10.505 1.00 1.41 C ATOM 0 H ALA A 28 6.950 0.009 8.892 1.00 1.33 H new ATOM 0 HA ALA A 28 8.387 -1.668 10.702 1.00 4.41 H new ATOM 0 HB1 ALA A 28 6.084 -2.585 11.108 1.00 1.41 H new ATOM 0 HB2 ALA A 28 6.095 -0.805 11.131 1.00 1.41 H new ATOM 0 HB3 ALA A 28 5.490 -1.673 9.700 1.00 1.41 H new ATOM 460 N TYR A 29 7.626 -2.962 7.799 1.00 45.55 N ATOM 461 CA TYR A 29 7.655 -4.177 6.950 1.00 54.33 C ATOM 462 C TYR A 29 8.147 -3.870 5.530 1.00 74.45 C ATOM 463 O TYR A 29 7.887 -2.800 4.977 1.00 70.32 O ATOM 464 CB TYR A 29 6.246 -4.877 6.912 1.00 70.10 C ATOM 465 CG TYR A 29 5.059 -3.944 7.190 1.00 35.21 C ATOM 466 CD1 TYR A 29 4.730 -2.907 6.318 1.00 40.12 C ATOM 467 CD2 TYR A 29 4.289 -4.093 8.349 1.00 62.32 C ATOM 468 CE1 TYR A 29 3.685 -2.050 6.598 1.00 22.25 C ATOM 469 CE2 TYR A 29 3.242 -3.244 8.626 1.00 73.44 C ATOM 470 CZ TYR A 29 2.943 -2.225 7.751 1.00 43.33 C ATOM 471 OH TYR A 29 1.908 -1.371 8.038 1.00 43.54 O ATOM 0 H TYR A 29 7.384 -2.110 7.292 1.00 45.55 H new ATOM 0 HA TYR A 29 8.368 -4.867 7.402 1.00 54.33 H new ATOM 0 HB2 TYR A 29 6.109 -5.335 5.932 1.00 70.10 H new ATOM 0 HB3 TYR A 29 6.236 -5.684 7.645 1.00 70.10 H new ATOM 0 HD1 TYR A 29 5.301 -2.773 5.411 1.00 40.12 H new ATOM 0 HD2 TYR A 29 4.521 -4.890 9.040 1.00 62.32 H new ATOM 0 HE1 TYR A 29 3.448 -1.245 5.918 1.00 22.25 H new ATOM 0 HE2 TYR A 29 2.658 -3.377 9.525 1.00 73.44 H new ATOM 0 HH TYR A 29 1.675 -0.858 7.236 1.00 43.54 H new ATOM 481 N GLU A 30 8.835 -4.864 4.963 1.00 22.55 N ATOM 482 CA GLU A 30 9.386 -4.835 3.602 1.00 3.24 C ATOM 483 C GLU A 30 9.590 -6.305 3.133 1.00 44.33 C ATOM 484 O GLU A 30 9.401 -7.214 3.947 1.00 75.33 O ATOM 485 CB GLU A 30 10.710 -4.010 3.590 1.00 0.53 C ATOM 486 CG GLU A 30 11.825 -4.595 4.459 1.00 43.43 C ATOM 487 CD GLU A 30 13.109 -3.759 4.559 1.00 63.23 C ATOM 488 OE1 GLU A 30 13.382 -2.919 3.676 1.00 43.15 O ATOM 489 OE2 GLU A 30 13.866 -3.964 5.529 1.00 4.15 O ATOM 0 H GLU A 30 9.031 -5.738 5.451 1.00 22.55 H new ATOM 0 HA GLU A 30 8.705 -4.345 2.906 1.00 3.24 H new ATOM 0 HB2 GLU A 30 11.068 -3.934 2.563 1.00 0.53 H new ATOM 0 HB3 GLU A 30 10.496 -2.996 3.928 1.00 0.53 H new ATOM 0 HG2 GLU A 30 11.434 -4.745 5.465 1.00 43.43 H new ATOM 0 HG3 GLU A 30 12.085 -5.579 4.068 1.00 43.43 H new ATOM 496 N PRO A 31 9.951 -6.595 1.827 1.00 35.33 N ATOM 497 CA PRO A 31 10.224 -7.994 1.362 1.00 53.25 C ATOM 498 C PRO A 31 11.364 -8.683 2.146 1.00 23.30 C ATOM 499 O PRO A 31 11.402 -9.911 2.272 1.00 42.34 O ATOM 500 CB PRO A 31 10.595 -7.812 -0.142 1.00 44.30 C ATOM 501 CG PRO A 31 9.999 -6.489 -0.530 1.00 44.54 C ATOM 502 CD PRO A 31 10.107 -5.628 0.702 1.00 3.31 C ATOM 0 HA PRO A 31 9.366 -8.647 1.521 1.00 53.25 H new ATOM 0 HB2 PRO A 31 11.675 -7.816 -0.286 1.00 44.30 H new ATOM 0 HB3 PRO A 31 10.190 -8.621 -0.750 1.00 44.30 H new ATOM 0 HG2 PRO A 31 10.537 -6.046 -1.368 1.00 44.54 H new ATOM 0 HG3 PRO A 31 8.961 -6.602 -0.842 1.00 44.54 H new ATOM 0 HD2 PRO A 31 11.067 -5.113 0.747 1.00 3.31 H new ATOM 0 HD3 PRO A 31 9.333 -4.861 0.723 1.00 3.31 H new ATOM 510 N ASP A 32 12.272 -7.852 2.677 1.00 74.32 N ATOM 511 CA ASP A 32 13.508 -8.292 3.336 1.00 3.11 C ATOM 512 C ASP A 32 13.265 -8.615 4.821 1.00 2.34 C ATOM 513 O ASP A 32 13.673 -9.674 5.306 1.00 45.52 O ATOM 514 CB ASP A 32 14.584 -7.179 3.190 1.00 71.15 C ATOM 515 CG ASP A 32 14.769 -6.718 1.731 1.00 65.45 C ATOM 516 OD1 ASP A 32 13.966 -5.874 1.260 1.00 43.20 O ATOM 517 OD2 ASP A 32 15.686 -7.215 1.041 1.00 1.40 O ATOM 0 H ASP A 32 12.165 -6.838 2.660 1.00 74.32 H new ATOM 0 HA ASP A 32 13.857 -9.207 2.857 1.00 3.11 H new ATOM 0 HB2 ASP A 32 14.302 -6.324 3.804 1.00 71.15 H new ATOM 0 HB3 ASP A 32 15.536 -7.547 3.574 1.00 71.15 H new ATOM 522 N SER A 33 12.589 -7.683 5.527 1.00 11.40 N ATOM 523 CA SER A 33 12.338 -7.775 6.980 1.00 21.31 C ATOM 524 C SER A 33 11.337 -8.902 7.273 1.00 53.34 C ATOM 525 O SER A 33 11.651 -9.855 7.988 1.00 52.55 O ATOM 526 CB SER A 33 11.824 -6.422 7.534 1.00 63.35 C ATOM 527 OG SER A 33 11.640 -6.460 8.941 1.00 10.44 O ATOM 0 H SER A 33 12.200 -6.841 5.102 1.00 11.40 H new ATOM 0 HA SER A 33 13.277 -8.007 7.482 1.00 21.31 H new ATOM 0 HB2 SER A 33 12.534 -5.634 7.282 1.00 63.35 H new ATOM 0 HB3 SER A 33 10.880 -6.167 7.052 1.00 63.35 H new ATOM 0 HG SER A 33 11.317 -5.589 9.252 1.00 10.44 H new ATOM 533 N VAL A 34 10.128 -8.776 6.703 1.00 54.21 N ATOM 534 CA VAL A 34 9.111 -9.835 6.750 1.00 50.42 C ATOM 535 C VAL A 34 9.168 -10.616 5.424 1.00 71.11 C ATOM 536 O VAL A 34 9.059 -10.037 4.331 1.00 4.43 O ATOM 537 CB VAL A 34 7.662 -9.270 7.042 1.00 61.43 C ATOM 538 CG1 VAL A 34 7.550 -8.763 8.504 1.00 24.41 C ATOM 539 CG2 VAL A 34 7.268 -8.152 6.055 1.00 55.23 C ATOM 0 H VAL A 34 9.830 -7.941 6.199 1.00 54.21 H new ATOM 0 HA VAL A 34 9.330 -10.505 7.582 1.00 50.42 H new ATOM 0 HB VAL A 34 6.964 -10.095 6.902 1.00 61.43 H new ATOM 0 HG11 VAL A 34 6.545 -8.380 8.680 1.00 24.41 H new ATOM 0 HG12 VAL A 34 7.750 -9.586 9.191 1.00 24.41 H new ATOM 0 HG13 VAL A 34 8.276 -7.967 8.670 1.00 24.41 H new ATOM 0 HG21 VAL A 34 6.266 -7.794 6.292 1.00 55.23 H new ATOM 0 HG22 VAL A 34 7.977 -7.328 6.137 1.00 55.23 H new ATOM 0 HG23 VAL A 34 7.282 -8.543 5.038 1.00 55.23 H new ATOM 549 N LEU A 35 9.369 -11.932 5.544 1.00 34.34 N ATOM 550 CA LEU A 35 9.655 -12.837 4.417 1.00 74.35 C ATOM 551 C LEU A 35 8.359 -13.091 3.536 1.00 31.53 C ATOM 552 O LEU A 35 7.293 -12.556 3.878 1.00 55.20 O ATOM 553 CB LEU A 35 10.385 -14.094 5.013 1.00 21.14 C ATOM 554 CG LEU A 35 11.940 -13.939 5.213 1.00 61.30 C ATOM 555 CD1 LEU A 35 12.305 -12.876 6.278 1.00 50.41 C ATOM 556 CD2 LEU A 35 12.603 -15.303 5.518 1.00 24.34 C ATOM 0 H LEU A 35 9.338 -12.411 6.444 1.00 34.34 H new ATOM 0 HA LEU A 35 10.335 -12.406 3.683 1.00 74.35 H new ATOM 0 HB2 LEU A 35 9.934 -14.333 5.976 1.00 21.14 H new ATOM 0 HB3 LEU A 35 10.203 -14.945 4.356 1.00 21.14 H new ATOM 0 HG LEU A 35 12.342 -13.573 4.268 1.00 61.30 H new ATOM 0 HD11 LEU A 35 13.389 -12.813 6.373 1.00 50.41 H new ATOM 0 HD12 LEU A 35 11.910 -11.906 5.974 1.00 50.41 H new ATOM 0 HD13 LEU A 35 11.873 -13.159 7.238 1.00 50.41 H new ATOM 0 HD21 LEU A 35 13.676 -15.164 5.651 1.00 24.34 H new ATOM 0 HD22 LEU A 35 12.175 -15.720 6.430 1.00 24.34 H new ATOM 0 HD23 LEU A 35 12.426 -15.987 4.688 1.00 24.34 H new ATOM 568 N PRO A 36 8.394 -13.924 2.415 1.00 24.53 N ATOM 569 CA PRO A 36 7.637 -13.608 1.161 1.00 31.22 C ATOM 570 C PRO A 36 6.110 -13.822 1.209 1.00 23.13 C ATOM 571 O PRO A 36 5.433 -13.434 0.255 1.00 11.04 O ATOM 572 CB PRO A 36 8.281 -14.585 0.148 1.00 74.43 C ATOM 573 CG PRO A 36 8.555 -15.810 0.965 1.00 4.40 C ATOM 574 CD PRO A 36 9.010 -15.289 2.307 1.00 22.43 C ATOM 0 HA PRO A 36 7.711 -12.545 0.930 1.00 31.22 H new ATOM 0 HB2 PRO A 36 7.610 -14.800 -0.684 1.00 74.43 H new ATOM 0 HB3 PRO A 36 9.196 -14.175 -0.278 1.00 74.43 H new ATOM 0 HG2 PRO A 36 7.662 -16.427 1.063 1.00 4.40 H new ATOM 0 HG3 PRO A 36 9.322 -16.430 0.501 1.00 4.40 H new ATOM 0 HD2 PRO A 36 8.678 -15.938 3.117 1.00 22.43 H new ATOM 0 HD3 PRO A 36 10.097 -15.238 2.364 1.00 22.43 H new ATOM 582 N LEU A 37 5.593 -14.404 2.317 1.00 70.31 N ATOM 583 CA LEU A 37 4.214 -14.960 2.409 1.00 2.14 C ATOM 584 C LEU A 37 4.111 -16.239 1.532 1.00 3.12 C ATOM 585 O LEU A 37 5.145 -16.803 1.143 1.00 23.11 O ATOM 586 CB LEU A 37 3.114 -13.913 2.032 1.00 60.04 C ATOM 587 CG LEU A 37 3.138 -12.555 2.797 1.00 33.30 C ATOM 588 CD1 LEU A 37 2.011 -11.627 2.294 1.00 31.52 C ATOM 589 CD2 LEU A 37 3.091 -12.749 4.331 1.00 64.32 C ATOM 0 H LEU A 37 6.123 -14.504 3.183 1.00 70.31 H new ATOM 0 HA LEU A 37 4.026 -15.223 3.450 1.00 2.14 H new ATOM 0 HB2 LEU A 37 3.198 -13.703 0.966 1.00 60.04 H new ATOM 0 HB3 LEU A 37 2.139 -14.374 2.190 1.00 60.04 H new ATOM 0 HG LEU A 37 4.090 -12.070 2.582 1.00 33.30 H new ATOM 0 HD11 LEU A 37 2.045 -10.684 2.840 1.00 31.52 H new ATOM 0 HD12 LEU A 37 2.146 -11.435 1.230 1.00 31.52 H new ATOM 0 HD13 LEU A 37 1.046 -12.106 2.456 1.00 31.52 H new ATOM 0 HD21 LEU A 37 3.110 -11.776 4.822 1.00 64.32 H new ATOM 0 HD22 LEU A 37 2.176 -13.275 4.603 1.00 64.32 H new ATOM 0 HD23 LEU A 37 3.954 -13.333 4.650 1.00 64.32 H new ATOM 601 N ALA A 38 2.874 -16.715 1.247 1.00 13.30 N ATOM 602 CA ALA A 38 2.658 -17.969 0.481 1.00 2.51 C ATOM 603 C ALA A 38 3.148 -17.869 -0.988 1.00 45.11 C ATOM 604 O ALA A 38 3.389 -16.768 -1.516 1.00 71.51 O ATOM 605 CB ALA A 38 1.183 -18.404 0.545 1.00 51.43 C ATOM 0 H ALA A 38 2.012 -16.251 1.535 1.00 13.30 H new ATOM 0 HA ALA A 38 3.267 -18.736 0.958 1.00 2.51 H new ATOM 0 HB1 ALA A 38 1.050 -19.325 -0.023 1.00 51.43 H new ATOM 0 HB2 ALA A 38 0.899 -18.574 1.583 1.00 51.43 H new ATOM 0 HB3 ALA A 38 0.554 -17.621 0.120 1.00 51.43 H new ATOM 611 N ASP A 39 3.247 -19.052 -1.622 1.00 14.43 N ATOM 612 CA ASP A 39 3.913 -19.263 -2.924 1.00 41.52 C ATOM 613 C ASP A 39 3.249 -18.463 -4.067 1.00 63.54 C ATOM 614 O ASP A 39 2.012 -18.388 -4.152 1.00 60.35 O ATOM 615 CB ASP A 39 3.901 -20.793 -3.260 1.00 4.13 C ATOM 616 CG ASP A 39 4.854 -21.262 -4.393 1.00 44.24 C ATOM 617 OD1 ASP A 39 5.471 -20.433 -5.093 1.00 43.14 O ATOM 618 OD2 ASP A 39 4.986 -22.492 -4.578 1.00 54.13 O ATOM 0 H ASP A 39 2.856 -19.911 -1.234 1.00 14.43 H new ATOM 0 HA ASP A 39 4.937 -18.899 -2.840 1.00 41.52 H new ATOM 0 HB2 ASP A 39 4.153 -21.343 -2.353 1.00 4.13 H new ATOM 0 HB3 ASP A 39 2.884 -21.074 -3.532 1.00 4.13 H new ATOM 623 N GLY A 40 4.106 -17.875 -4.925 1.00 64.42 N ATOM 624 CA GLY A 40 3.688 -17.235 -6.160 1.00 21.03 C ATOM 625 C GLY A 40 2.990 -15.901 -5.951 1.00 70.55 C ATOM 626 O GLY A 40 3.638 -14.842 -5.954 1.00 21.33 O ATOM 0 H GLY A 40 5.113 -17.838 -4.767 1.00 64.42 H new ATOM 0 HA2 GLY A 40 4.562 -17.083 -6.794 1.00 21.03 H new ATOM 0 HA3 GLY A 40 3.018 -17.906 -6.698 1.00 21.03 H new ATOM 630 N VAL A 41 1.662 -15.970 -5.734 1.00 50.42 N ATOM 631 CA VAL A 41 0.776 -14.801 -5.753 1.00 50.50 C ATOM 632 C VAL A 41 1.115 -13.791 -4.639 1.00 70.41 C ATOM 633 O VAL A 41 1.312 -12.619 -4.925 1.00 74.52 O ATOM 634 CB VAL A 41 -0.752 -15.220 -5.702 1.00 13.32 C ATOM 635 CG1 VAL A 41 -1.103 -16.147 -6.901 1.00 3.34 C ATOM 636 CG2 VAL A 41 -1.152 -15.876 -4.346 1.00 63.11 C ATOM 0 H VAL A 41 1.176 -16.846 -5.540 1.00 50.42 H new ATOM 0 HA VAL A 41 0.949 -14.298 -6.704 1.00 50.50 H new ATOM 0 HB VAL A 41 -1.338 -14.305 -5.784 1.00 13.32 H new ATOM 0 HG11 VAL A 41 -2.156 -16.425 -6.850 1.00 3.34 H new ATOM 0 HG12 VAL A 41 -0.911 -15.621 -7.836 1.00 3.34 H new ATOM 0 HG13 VAL A 41 -0.488 -17.046 -6.858 1.00 3.34 H new ATOM 0 HG21 VAL A 41 -2.209 -16.142 -4.368 1.00 63.11 H new ATOM 0 HG22 VAL A 41 -0.555 -16.774 -4.186 1.00 63.11 H new ATOM 0 HG23 VAL A 41 -0.973 -15.171 -3.534 1.00 63.11 H new ATOM 646 N LEU A 42 1.265 -14.271 -3.389 1.00 64.23 N ATOM 647 CA LEU A 42 1.425 -13.397 -2.213 1.00 13.22 C ATOM 648 C LEU A 42 2.839 -12.819 -2.107 1.00 20.12 C ATOM 649 O LEU A 42 3.017 -11.787 -1.470 1.00 30.01 O ATOM 650 CB LEU A 42 1.049 -14.144 -0.908 1.00 65.42 C ATOM 651 CG LEU A 42 -0.452 -14.530 -0.731 1.00 41.21 C ATOM 652 CD1 LEU A 42 -0.686 -15.195 0.642 1.00 4.14 C ATOM 653 CD2 LEU A 42 -1.380 -13.304 -0.927 1.00 24.04 C ATOM 0 H LEU A 42 1.279 -15.267 -3.168 1.00 64.23 H new ATOM 0 HA LEU A 42 0.739 -12.561 -2.349 1.00 13.22 H new ATOM 0 HB2 LEU A 42 1.644 -15.056 -0.854 1.00 65.42 H new ATOM 0 HB3 LEU A 42 1.343 -13.522 -0.063 1.00 65.42 H new ATOM 0 HG LEU A 42 -0.705 -15.254 -1.505 1.00 41.21 H new ATOM 0 HD11 LEU A 42 -1.739 -15.456 0.745 1.00 4.14 H new ATOM 0 HD12 LEU A 42 -0.079 -16.097 0.717 1.00 4.14 H new ATOM 0 HD13 LEU A 42 -0.405 -14.502 1.435 1.00 4.14 H new ATOM 0 HD21 LEU A 42 -2.418 -13.609 -0.797 1.00 24.04 H new ATOM 0 HD22 LEU A 42 -1.132 -12.538 -0.192 1.00 24.04 H new ATOM 0 HD23 LEU A 42 -1.244 -12.901 -1.931 1.00 24.04 H new ATOM 665 N SER A 43 3.830 -13.499 -2.706 1.00 51.23 N ATOM 666 CA SER A 43 5.211 -12.978 -2.809 1.00 23.51 C ATOM 667 C SER A 43 5.256 -11.785 -3.775 1.00 4.24 C ATOM 668 O SER A 43 5.865 -10.735 -3.487 1.00 62.02 O ATOM 669 CB SER A 43 6.151 -14.108 -3.278 1.00 14.12 C ATOM 670 OG SER A 43 6.014 -15.258 -2.451 1.00 21.14 O ATOM 0 H SER A 43 3.703 -14.418 -3.130 1.00 51.23 H new ATOM 0 HA SER A 43 5.545 -12.630 -1.832 1.00 23.51 H new ATOM 0 HB2 SER A 43 5.925 -14.369 -4.312 1.00 14.12 H new ATOM 0 HB3 SER A 43 7.184 -13.760 -3.256 1.00 14.12 H new ATOM 0 HG SER A 43 6.618 -15.962 -2.767 1.00 21.14 H new ATOM 676 N PHE A 44 4.555 -11.969 -4.902 1.00 0.15 N ATOM 677 CA PHE A 44 4.413 -10.970 -5.964 1.00 14.31 C ATOM 678 C PHE A 44 3.666 -9.728 -5.427 1.00 0.14 C ATOM 679 O PHE A 44 4.095 -8.590 -5.645 1.00 42.22 O ATOM 680 CB PHE A 44 3.655 -11.632 -7.145 1.00 21.53 C ATOM 681 CG PHE A 44 3.702 -10.870 -8.467 1.00 52.24 C ATOM 682 CD1 PHE A 44 4.854 -10.896 -9.255 1.00 14.03 C ATOM 683 CD2 PHE A 44 2.596 -10.159 -8.941 1.00 43.40 C ATOM 684 CE1 PHE A 44 4.897 -10.241 -10.467 1.00 25.12 C ATOM 685 CE2 PHE A 44 2.645 -9.500 -10.155 1.00 22.31 C ATOM 686 CZ PHE A 44 3.794 -9.544 -10.918 1.00 53.43 C ATOM 0 H PHE A 44 4.060 -12.838 -5.103 1.00 0.15 H new ATOM 0 HA PHE A 44 5.389 -10.630 -6.311 1.00 14.31 H new ATOM 0 HB2 PHE A 44 4.067 -12.628 -7.305 1.00 21.53 H new ATOM 0 HB3 PHE A 44 2.612 -11.761 -6.857 1.00 21.53 H new ATOM 0 HD1 PHE A 44 5.723 -11.437 -8.910 1.00 14.03 H new ATOM 0 HD2 PHE A 44 1.692 -10.124 -8.351 1.00 43.40 H new ATOM 0 HE1 PHE A 44 5.796 -10.273 -11.065 1.00 25.12 H new ATOM 0 HE2 PHE A 44 1.784 -8.951 -10.506 1.00 22.31 H new ATOM 0 HZ PHE A 44 3.830 -9.033 -11.869 1.00 53.43 H new ATOM 696 N ILE A 45 2.571 -9.989 -4.683 1.00 24.21 N ATOM 697 CA ILE A 45 1.747 -8.947 -4.041 1.00 14.44 C ATOM 698 C ILE A 45 2.542 -8.214 -2.948 1.00 53.41 C ATOM 699 O ILE A 45 2.464 -6.999 -2.853 1.00 0.22 O ATOM 700 CB ILE A 45 0.431 -9.554 -3.414 1.00 72.14 C ATOM 701 CG1 ILE A 45 -0.489 -10.160 -4.518 1.00 75.30 C ATOM 702 CG2 ILE A 45 -0.347 -8.502 -2.586 1.00 52.13 C ATOM 703 CD1 ILE A 45 -1.712 -10.891 -3.985 1.00 55.22 C ATOM 0 H ILE A 45 2.233 -10.936 -4.511 1.00 24.21 H new ATOM 0 HA ILE A 45 1.467 -8.237 -4.819 1.00 14.44 H new ATOM 0 HB ILE A 45 0.737 -10.353 -2.739 1.00 72.14 H new ATOM 0 HG12 ILE A 45 -0.819 -9.359 -5.179 1.00 75.30 H new ATOM 0 HG13 ILE A 45 0.097 -10.851 -5.123 1.00 75.30 H new ATOM 0 HG21 ILE A 45 -1.246 -8.958 -2.171 1.00 52.13 H new ATOM 0 HG22 ILE A 45 0.284 -8.139 -1.774 1.00 52.13 H new ATOM 0 HG23 ILE A 45 -0.627 -7.668 -3.229 1.00 52.13 H new ATOM 0 HD11 ILE A 45 -2.295 -11.280 -4.819 1.00 55.22 H new ATOM 0 HD12 ILE A 45 -1.394 -11.716 -3.348 1.00 55.22 H new ATOM 0 HD13 ILE A 45 -2.324 -10.201 -3.405 1.00 55.22 H new ATOM 715 N HIS A 46 3.296 -8.980 -2.131 1.00 75.10 N ATOM 716 CA HIS A 46 4.146 -8.440 -1.038 1.00 70.13 C ATOM 717 C HIS A 46 5.114 -7.392 -1.613 1.00 42.11 C ATOM 718 O HIS A 46 5.229 -6.250 -1.089 1.00 30.42 O ATOM 719 CB HIS A 46 4.932 -9.609 -0.384 1.00 21.34 C ATOM 720 CG HIS A 46 5.620 -9.303 0.922 1.00 34.32 C ATOM 721 ND1 HIS A 46 5.228 -9.875 2.104 1.00 23.13 N ATOM 722 CD2 HIS A 46 6.707 -8.551 1.222 1.00 61.33 C ATOM 723 CE1 HIS A 46 6.027 -9.497 3.067 1.00 75.44 C ATOM 724 NE2 HIS A 46 6.941 -8.692 2.568 1.00 12.52 N ATOM 0 H HIS A 46 3.335 -9.996 -2.208 1.00 75.10 H new ATOM 0 HA HIS A 46 3.526 -7.961 -0.280 1.00 70.13 H new ATOM 0 HB2 HIS A 46 4.242 -10.437 -0.221 1.00 21.34 H new ATOM 0 HB3 HIS A 46 5.683 -9.955 -1.094 1.00 21.34 H new ATOM 0 HD2 HIS A 46 7.282 -7.952 0.531 1.00 61.33 H new ATOM 0 HE1 HIS A 46 5.950 -9.796 4.102 1.00 75.44 H new ATOM 0 HE2 HIS A 46 7.695 -8.248 3.092 1.00 12.52 H new ATOM 733 N HIS A 47 5.765 -7.808 -2.730 1.00 63.52 N ATOM 734 CA HIS A 47 6.656 -6.955 -3.519 1.00 23.21 C ATOM 735 C HIS A 47 5.906 -5.684 -3.927 1.00 74.21 C ATOM 736 O HIS A 47 6.337 -4.605 -3.571 1.00 51.45 O ATOM 737 CB HIS A 47 7.178 -7.713 -4.778 1.00 74.00 C ATOM 738 CG HIS A 47 8.261 -7.010 -5.590 1.00 33.01 C ATOM 739 ND1 HIS A 47 9.097 -7.686 -6.455 1.00 14.15 N ATOM 740 CD2 HIS A 47 8.632 -5.701 -5.687 1.00 44.04 C ATOM 741 CE1 HIS A 47 9.918 -6.834 -7.038 1.00 31.13 C ATOM 742 NE2 HIS A 47 9.655 -5.626 -6.588 1.00 62.23 N ATOM 0 H HIS A 47 5.677 -8.754 -3.101 1.00 63.52 H new ATOM 0 HA HIS A 47 7.521 -6.685 -2.913 1.00 23.21 H new ATOM 0 HB2 HIS A 47 7.564 -8.681 -4.459 1.00 74.00 H new ATOM 0 HB3 HIS A 47 6.331 -7.909 -5.435 1.00 74.00 H new ATOM 0 HD2 HIS A 47 8.195 -4.873 -5.148 1.00 44.04 H new ATOM 0 HE1 HIS A 47 10.678 -7.086 -7.763 1.00 31.13 H new ATOM 0 HE2 HIS A 47 10.137 -4.772 -6.867 1.00 62.23 H new ATOM 751 N GLN A 48 4.761 -5.844 -4.626 1.00 53.24 N ATOM 752 CA GLN A 48 3.992 -4.709 -5.184 1.00 64.33 C ATOM 753 C GLN A 48 3.498 -3.728 -4.100 1.00 64.55 C ATOM 754 O GLN A 48 3.520 -2.519 -4.320 1.00 75.43 O ATOM 755 CB GLN A 48 2.789 -5.207 -6.024 1.00 75.35 C ATOM 756 CG GLN A 48 3.174 -6.003 -7.285 1.00 45.20 C ATOM 757 CD GLN A 48 1.966 -6.338 -8.163 1.00 34.54 C ATOM 758 OE1 GLN A 48 1.660 -5.460 -9.110 1.00 2.01 O flip ATOM 759 NE2 GLN A 48 1.314 -7.368 -7.995 1.00 23.04 N flip ATOM 0 H GLN A 48 4.346 -6.756 -4.818 1.00 53.24 H new ATOM 0 HA GLN A 48 4.684 -4.166 -5.828 1.00 64.33 H new ATOM 0 HB2 GLN A 48 2.157 -5.833 -5.394 1.00 75.35 H new ATOM 0 HB3 GLN A 48 2.190 -4.347 -6.322 1.00 75.35 H new ATOM 0 HG2 GLN A 48 3.893 -5.427 -7.868 1.00 45.20 H new ATOM 0 HG3 GLN A 48 3.670 -6.927 -6.989 1.00 45.20 H new ATOM 0 HE21 GLN A 48 1.576 -8.023 -7.258 1.00 23.04 H new ATOM 0 HE22 GLN A 48 0.512 -7.567 -8.593 1.00 23.04 H new ATOM 768 N ILE A 49 3.070 -4.250 -2.934 1.00 61.43 N ATOM 769 CA ILE A 49 2.553 -3.417 -1.836 1.00 54.20 C ATOM 770 C ILE A 49 3.674 -2.545 -1.289 1.00 55.33 C ATOM 771 O ILE A 49 3.548 -1.320 -1.291 1.00 1.53 O ATOM 772 CB ILE A 49 1.905 -4.249 -0.660 1.00 54.30 C ATOM 773 CG1 ILE A 49 0.618 -4.984 -1.141 1.00 34.52 C ATOM 774 CG2 ILE A 49 1.591 -3.345 0.570 1.00 2.32 C ATOM 775 CD1 ILE A 49 -0.097 -5.773 -0.060 1.00 72.32 C ATOM 0 H ILE A 49 3.073 -5.249 -2.730 1.00 61.43 H new ATOM 0 HA ILE A 49 1.755 -2.805 -2.257 1.00 54.20 H new ATOM 0 HB ILE A 49 2.633 -4.998 -0.349 1.00 54.30 H new ATOM 0 HG12 ILE A 49 -0.073 -4.248 -1.553 1.00 34.52 H new ATOM 0 HG13 ILE A 49 0.884 -5.662 -1.952 1.00 34.52 H new ATOM 0 HG21 ILE A 49 1.146 -3.949 1.361 1.00 2.32 H new ATOM 0 HG22 ILE A 49 2.513 -2.893 0.934 1.00 2.32 H new ATOM 0 HG23 ILE A 49 0.893 -2.561 0.276 1.00 2.32 H new ATOM 0 HD11 ILE A 49 -0.980 -6.251 -0.483 1.00 72.32 H new ATOM 0 HD12 ILE A 49 0.573 -6.535 0.338 1.00 72.32 H new ATOM 0 HD13 ILE A 49 -0.398 -5.100 0.743 1.00 72.32 H new ATOM 787 N ILE A 50 4.784 -3.177 -0.853 1.00 54.51 N ATOM 788 CA ILE A 50 5.889 -2.426 -0.224 1.00 25.30 C ATOM 789 C ILE A 50 6.568 -1.490 -1.245 1.00 62.22 C ATOM 790 O ILE A 50 6.953 -0.357 -0.904 1.00 74.24 O ATOM 791 CB ILE A 50 6.944 -3.381 0.432 1.00 21.22 C ATOM 792 CG1 ILE A 50 6.262 -4.308 1.499 1.00 13.14 C ATOM 793 CG2 ILE A 50 8.122 -2.578 1.049 1.00 23.40 C ATOM 794 CD1 ILE A 50 5.584 -3.581 2.657 1.00 41.30 C ATOM 0 H ILE A 50 4.937 -4.183 -0.923 1.00 54.51 H new ATOM 0 HA ILE A 50 5.455 -1.819 0.571 1.00 25.30 H new ATOM 0 HB ILE A 50 7.359 -4.017 -0.350 1.00 21.22 H new ATOM 0 HG12 ILE A 50 5.520 -4.928 0.996 1.00 13.14 H new ATOM 0 HG13 ILE A 50 7.016 -4.981 1.906 1.00 13.14 H new ATOM 0 HG21 ILE A 50 8.838 -3.268 1.497 1.00 23.40 H new ATOM 0 HG22 ILE A 50 8.616 -1.999 0.269 1.00 23.40 H new ATOM 0 HG23 ILE A 50 7.740 -1.903 1.815 1.00 23.40 H new ATOM 0 HD11 ILE A 50 5.144 -4.311 3.337 1.00 41.30 H new ATOM 0 HD12 ILE A 50 6.321 -2.983 3.193 1.00 41.30 H new ATOM 0 HD13 ILE A 50 4.801 -2.929 2.269 1.00 41.30 H new ATOM 806 N GLU A 51 6.646 -1.969 -2.504 1.00 2.12 N ATOM 807 CA GLU A 51 7.254 -1.231 -3.617 1.00 72.10 C ATOM 808 C GLU A 51 6.503 0.076 -3.839 1.00 71.11 C ATOM 809 O GLU A 51 7.079 1.147 -3.730 1.00 30.20 O ATOM 810 CB GLU A 51 7.228 -2.068 -4.926 1.00 45.15 C ATOM 811 CG GLU A 51 8.056 -1.487 -6.089 1.00 72.42 C ATOM 812 CD GLU A 51 9.574 -1.620 -5.865 1.00 2.13 C ATOM 813 OE1 GLU A 51 10.150 -2.655 -6.268 1.00 45.04 O ATOM 814 OE2 GLU A 51 10.201 -0.698 -5.292 1.00 23.44 O ATOM 0 H GLU A 51 6.285 -2.884 -2.772 1.00 2.12 H new ATOM 0 HA GLU A 51 8.293 -1.024 -3.359 1.00 72.10 H new ATOM 0 HB2 GLU A 51 7.594 -3.071 -4.705 1.00 45.15 H new ATOM 0 HB3 GLU A 51 6.193 -2.171 -5.253 1.00 45.15 H new ATOM 0 HG2 GLU A 51 7.784 -1.997 -7.013 1.00 72.42 H new ATOM 0 HG3 GLU A 51 7.803 -0.435 -6.219 1.00 72.42 H new ATOM 821 N LEU A 52 5.185 -0.050 -4.082 1.00 42.40 N ATOM 822 CA LEU A 52 4.316 1.078 -4.432 1.00 30.02 C ATOM 823 C LEU A 52 3.957 1.930 -3.204 1.00 5.21 C ATOM 824 O LEU A 52 3.532 3.068 -3.367 1.00 12.31 O ATOM 825 CB LEU A 52 3.039 0.570 -5.150 1.00 72.24 C ATOM 826 CG LEU A 52 3.265 -0.230 -6.478 1.00 24.54 C ATOM 827 CD1 LEU A 52 1.919 -0.676 -7.100 1.00 1.13 C ATOM 828 CD2 LEU A 52 4.125 0.577 -7.478 1.00 45.41 C ATOM 0 H LEU A 52 4.695 -0.944 -4.040 1.00 42.40 H new ATOM 0 HA LEU A 52 4.868 1.723 -5.115 1.00 30.02 H new ATOM 0 HB2 LEU A 52 2.486 -0.065 -4.458 1.00 72.24 H new ATOM 0 HB3 LEU A 52 2.405 1.429 -5.371 1.00 72.24 H new ATOM 0 HG LEU A 52 3.821 -1.135 -6.234 1.00 24.54 H new ATOM 0 HD11 LEU A 52 2.109 -1.229 -8.020 1.00 1.13 H new ATOM 0 HD12 LEU A 52 1.387 -1.316 -6.396 1.00 1.13 H new ATOM 0 HD13 LEU A 52 1.312 0.202 -7.323 1.00 1.13 H new ATOM 0 HD21 LEU A 52 4.265 -0.004 -8.390 1.00 45.41 H new ATOM 0 HD22 LEU A 52 3.621 1.513 -7.718 1.00 45.41 H new ATOM 0 HD23 LEU A 52 5.096 0.791 -7.032 1.00 45.41 H new ATOM 840 N ALA A 53 4.116 1.377 -1.983 1.00 75.15 N ATOM 841 CA ALA A 53 3.917 2.147 -0.738 1.00 15.31 C ATOM 842 C ALA A 53 5.095 3.104 -0.524 1.00 42.53 C ATOM 843 O ALA A 53 4.888 4.298 -0.325 1.00 24.30 O ATOM 844 CB ALA A 53 3.731 1.226 0.476 1.00 63.20 C ATOM 0 H ALA A 53 4.381 0.403 -1.834 1.00 75.15 H new ATOM 0 HA ALA A 53 3.001 2.729 -0.841 1.00 15.31 H new ATOM 0 HB1 ALA A 53 3.588 1.830 1.372 1.00 63.20 H new ATOM 0 HB2 ALA A 53 2.858 0.592 0.322 1.00 63.20 H new ATOM 0 HB3 ALA A 53 4.616 0.601 0.597 1.00 63.20 H new ATOM 850 N ARG A 54 6.336 2.574 -0.597 1.00 60.13 N ATOM 851 CA ARG A 54 7.563 3.396 -0.461 1.00 32.45 C ATOM 852 C ARG A 54 7.756 4.313 -1.680 1.00 15.24 C ATOM 853 O ARG A 54 8.321 5.406 -1.554 1.00 34.11 O ATOM 854 CB ARG A 54 8.814 2.503 -0.235 1.00 43.40 C ATOM 855 CG ARG A 54 8.826 1.794 1.133 1.00 30.01 C ATOM 856 CD ARG A 54 10.081 0.952 1.390 1.00 50.44 C ATOM 857 NE ARG A 54 10.056 0.334 2.736 1.00 41.21 N ATOM 858 CZ ARG A 54 11.085 -0.319 3.299 1.00 63.40 C ATOM 859 NH1 ARG A 54 12.238 -0.439 2.656 1.00 53.13 N ATOM 860 NH2 ARG A 54 10.964 -0.835 4.518 1.00 11.15 N ATOM 0 H ARG A 54 6.516 1.582 -0.749 1.00 60.13 H new ATOM 0 HA ARG A 54 7.440 4.029 0.418 1.00 32.45 H new ATOM 0 HB2 ARG A 54 8.862 1.753 -1.024 1.00 43.40 H new ATOM 0 HB3 ARG A 54 9.710 3.117 -0.324 1.00 43.40 H new ATOM 0 HG2 ARG A 54 8.737 2.543 1.919 1.00 30.01 H new ATOM 0 HG3 ARG A 54 7.949 1.151 1.205 1.00 30.01 H new ATOM 0 HD2 ARG A 54 10.158 0.172 0.632 1.00 50.44 H new ATOM 0 HD3 ARG A 54 10.967 1.579 1.293 1.00 50.44 H new ATOM 0 HE ARG A 54 9.193 0.410 3.275 1.00 41.21 H new ATOM 0 HH11 ARG A 54 12.348 -0.034 1.727 1.00 53.13 H new ATOM 0 HH12 ARG A 54 13.015 -0.937 3.091 1.00 53.13 H new ATOM 0 HH21 ARG A 54 10.087 -0.736 5.029 1.00 11.15 H new ATOM 0 HH22 ARG A 54 11.748 -1.330 4.942 1.00 11.15 H new ATOM 874 N ASP A 55 7.275 3.855 -2.849 1.00 75.35 N ATOM 875 CA ASP A 55 7.257 4.653 -4.090 1.00 34.11 C ATOM 876 C ASP A 55 6.310 5.847 -3.905 1.00 50.43 C ATOM 877 O ASP A 55 6.712 6.984 -4.117 1.00 65.03 O ATOM 878 CB ASP A 55 6.827 3.773 -5.300 1.00 54.13 C ATOM 879 CG ASP A 55 6.888 4.460 -6.680 1.00 34.30 C ATOM 880 OD1 ASP A 55 7.749 5.347 -6.893 1.00 50.03 O ATOM 881 OD2 ASP A 55 6.086 4.099 -7.573 1.00 44.35 O ATOM 0 H ASP A 55 6.886 2.919 -2.961 1.00 75.35 H new ATOM 0 HA ASP A 55 8.259 5.027 -4.300 1.00 34.11 H new ATOM 0 HB2 ASP A 55 7.463 2.888 -5.326 1.00 54.13 H new ATOM 0 HB3 ASP A 55 5.807 3.428 -5.131 1.00 54.13 H new ATOM 886 N CYS A 56 5.073 5.565 -3.436 1.00 13.13 N ATOM 887 CA CYS A 56 4.058 6.603 -3.127 1.00 72.20 C ATOM 888 C CYS A 56 4.560 7.578 -2.058 1.00 51.44 C ATOM 889 O CYS A 56 4.279 8.782 -2.126 1.00 2.43 O ATOM 890 CB CYS A 56 2.742 5.969 -2.635 1.00 13.52 C ATOM 891 SG CYS A 56 1.440 7.167 -2.247 1.00 23.23 S ATOM 0 H CYS A 56 4.749 4.614 -3.261 1.00 13.13 H new ATOM 0 HA CYS A 56 3.877 7.146 -4.054 1.00 72.20 H new ATOM 0 HB2 CYS A 56 2.374 5.284 -3.399 1.00 13.52 H new ATOM 0 HB3 CYS A 56 2.949 5.373 -1.746 1.00 13.52 H new ATOM 0 HG CYS A 56 1.975 8.326 -2.004 1.00 23.23 H new ATOM 897 N LEU A 57 5.295 7.029 -1.070 1.00 1.21 N ATOM 898 CA LEU A 57 5.883 7.801 0.023 1.00 12.43 C ATOM 899 C LEU A 57 6.859 8.833 -0.527 1.00 43.10 C ATOM 900 O LEU A 57 6.668 10.027 -0.326 1.00 63.23 O ATOM 901 CB LEU A 57 6.600 6.876 1.038 1.00 20.13 C ATOM 902 CG LEU A 57 7.342 7.595 2.209 1.00 54.52 C ATOM 903 CD1 LEU A 57 6.395 8.545 2.978 1.00 75.31 C ATOM 904 CD2 LEU A 57 8.016 6.572 3.150 1.00 50.31 C ATOM 0 H LEU A 57 5.494 6.030 -1.015 1.00 1.21 H new ATOM 0 HA LEU A 57 5.076 8.316 0.545 1.00 12.43 H new ATOM 0 HB2 LEU A 57 5.863 6.196 1.464 1.00 20.13 H new ATOM 0 HB3 LEU A 57 7.322 6.265 0.496 1.00 20.13 H new ATOM 0 HG LEU A 57 8.131 8.211 1.777 1.00 54.52 H new ATOM 0 HD11 LEU A 57 6.943 9.029 3.786 1.00 75.31 H new ATOM 0 HD12 LEU A 57 6.008 9.303 2.297 1.00 75.31 H new ATOM 0 HD13 LEU A 57 5.565 7.973 3.394 1.00 75.31 H new ATOM 0 HD21 LEU A 57 8.525 7.100 3.956 1.00 50.31 H new ATOM 0 HD22 LEU A 57 7.259 5.911 3.571 1.00 50.31 H new ATOM 0 HD23 LEU A 57 8.740 5.983 2.588 1.00 50.31 H new ATOM 916 N THR A 58 7.874 8.353 -1.261 1.00 20.42 N ATOM 917 CA THR A 58 8.928 9.208 -1.820 1.00 45.52 C ATOM 918 C THR A 58 8.344 10.207 -2.841 1.00 51.35 C ATOM 919 O THR A 58 8.851 11.330 -2.969 1.00 13.04 O ATOM 920 CB THR A 58 10.074 8.344 -2.443 1.00 72.01 C ATOM 921 OG1 THR A 58 9.526 7.385 -3.358 1.00 4.45 O ATOM 922 CG2 THR A 58 10.887 7.606 -1.356 1.00 22.31 C ATOM 0 H THR A 58 7.986 7.364 -1.482 1.00 20.42 H new ATOM 0 HA THR A 58 9.363 9.791 -1.008 1.00 45.52 H new ATOM 0 HB THR A 58 10.745 9.021 -2.972 1.00 72.01 H new ATOM 0 HG1 THR A 58 9.162 6.625 -2.857 1.00 4.45 H new ATOM 0 HG21 THR A 58 11.674 7.017 -1.827 1.00 22.31 H new ATOM 0 HG22 THR A 58 11.335 8.334 -0.680 1.00 22.31 H new ATOM 0 HG23 THR A 58 10.227 6.946 -0.793 1.00 22.31 H new ATOM 930 N LYS A 59 7.246 9.804 -3.528 1.00 54.42 N ATOM 931 CA LYS A 59 6.477 10.717 -4.393 1.00 20.43 C ATOM 932 C LYS A 59 5.808 11.833 -3.561 1.00 61.11 C ATOM 933 O LYS A 59 5.747 12.977 -4.005 1.00 40.31 O ATOM 934 CB LYS A 59 5.381 9.984 -5.212 1.00 1.13 C ATOM 935 CG LYS A 59 5.869 9.007 -6.302 1.00 1.23 C ATOM 936 CD LYS A 59 4.701 8.548 -7.215 1.00 60.44 C ATOM 937 CE LYS A 59 4.963 7.223 -7.940 1.00 32.22 C ATOM 938 NZ LYS A 59 6.243 7.182 -8.691 1.00 63.10 N ATOM 0 H LYS A 59 6.878 8.853 -3.496 1.00 54.42 H new ATOM 0 HA LYS A 59 7.197 11.147 -5.090 1.00 20.43 H new ATOM 0 HB2 LYS A 59 4.749 9.431 -4.517 1.00 1.13 H new ATOM 0 HB3 LYS A 59 4.750 10.736 -5.686 1.00 1.13 H new ATOM 0 HG2 LYS A 59 6.638 9.488 -6.906 1.00 1.23 H new ATOM 0 HG3 LYS A 59 6.330 8.137 -5.833 1.00 1.23 H new ATOM 0 HD2 LYS A 59 3.799 8.448 -6.612 1.00 60.44 H new ATOM 0 HD3 LYS A 59 4.505 9.324 -7.956 1.00 60.44 H new ATOM 0 HE2 LYS A 59 4.958 6.415 -7.209 1.00 32.22 H new ATOM 0 HE3 LYS A 59 4.143 7.032 -8.632 1.00 32.22 H new ATOM 0 HZ1 LYS A 59 6.084 6.753 -9.625 1.00 63.10 H new ATOM 0 HZ2 LYS A 59 6.606 8.149 -8.812 1.00 63.10 H new ATOM 0 HZ3 LYS A 59 6.937 6.615 -8.163 1.00 63.10 H new ATOM 952 N SER A 60 5.284 11.465 -2.374 1.00 20.32 N ATOM 953 CA SER A 60 4.551 12.391 -1.475 1.00 43.01 C ATOM 954 C SER A 60 5.498 13.390 -0.772 1.00 51.02 C ATOM 955 O SER A 60 5.066 14.477 -0.366 1.00 40.24 O ATOM 956 CB SER A 60 3.747 11.576 -0.431 1.00 3.35 C ATOM 957 OG SER A 60 2.929 12.406 0.380 1.00 52.13 O ATOM 0 H SER A 60 5.355 10.516 -2.008 1.00 20.32 H new ATOM 0 HA SER A 60 3.865 12.979 -2.085 1.00 43.01 H new ATOM 0 HB2 SER A 60 3.123 10.844 -0.945 1.00 3.35 H new ATOM 0 HB3 SER A 60 4.437 11.018 0.202 1.00 3.35 H new ATOM 0 HG SER A 60 2.706 11.935 1.210 1.00 52.13 H new ATOM 963 N ARG A 61 6.800 13.032 -0.667 1.00 64.25 N ATOM 964 CA ARG A 61 7.833 13.887 -0.013 1.00 42.53 C ATOM 965 C ARG A 61 8.405 14.936 -0.996 1.00 44.15 C ATOM 966 O ARG A 61 9.468 15.518 -0.749 1.00 30.51 O ATOM 967 CB ARG A 61 9.004 13.015 0.537 1.00 0.44 C ATOM 968 CG ARG A 61 8.570 11.768 1.327 1.00 45.12 C ATOM 969 CD ARG A 61 9.710 11.120 2.119 1.00 1.12 C ATOM 970 NE ARG A 61 10.116 11.968 3.251 1.00 0.12 N ATOM 971 CZ ARG A 61 11.294 11.911 3.878 1.00 32.41 C ATOM 972 NH1 ARG A 61 12.233 11.046 3.495 1.00 70.10 N ATOM 973 NH2 ARG A 61 11.530 12.730 4.889 1.00 63.33 N ATOM 0 H ARG A 61 7.167 12.151 -1.028 1.00 64.25 H new ATOM 0 HA ARG A 61 7.344 14.406 0.811 1.00 42.53 H new ATOM 0 HB2 ARG A 61 9.626 12.698 -0.300 1.00 0.44 H new ATOM 0 HB3 ARG A 61 9.628 13.635 1.180 1.00 0.44 H new ATOM 0 HG2 ARG A 61 7.771 12.043 2.015 1.00 45.12 H new ATOM 0 HG3 ARG A 61 8.156 11.035 0.635 1.00 45.12 H new ATOM 0 HD2 ARG A 61 9.393 10.144 2.487 1.00 1.12 H new ATOM 0 HD3 ARG A 61 10.563 10.951 1.462 1.00 1.12 H new ATOM 0 HE ARG A 61 9.442 12.657 3.585 1.00 0.12 H new ATOM 0 HH11 ARG A 61 12.057 10.415 2.713 1.00 70.10 H new ATOM 0 HH12 ARG A 61 13.128 11.015 3.984 1.00 70.10 H new ATOM 0 HH21 ARG A 61 10.816 13.397 5.183 1.00 63.33 H new ATOM 0 HH22 ARG A 61 12.426 12.695 5.375 1.00 63.33 H new ATOM 987 N ASP A 62 7.673 15.199 -2.083 1.00 71.12 N ATOM 988 CA ASP A 62 8.154 15.998 -3.215 1.00 11.24 C ATOM 989 C ASP A 62 6.945 16.656 -3.893 1.00 61.43 C ATOM 990 O ASP A 62 6.928 17.865 -4.138 1.00 10.30 O ATOM 991 CB ASP A 62 8.918 15.068 -4.200 1.00 22.23 C ATOM 992 CG ASP A 62 9.565 15.805 -5.384 1.00 1.45 C ATOM 993 OD1 ASP A 62 8.859 16.105 -6.371 1.00 51.13 O ATOM 994 OD2 ASP A 62 10.787 16.067 -5.343 1.00 15.53 O ATOM 0 H ASP A 62 6.719 14.859 -2.203 1.00 71.12 H new ATOM 0 HA ASP A 62 8.838 16.779 -2.883 1.00 11.24 H new ATOM 0 HB2 ASP A 62 9.693 14.533 -3.651 1.00 22.23 H new ATOM 0 HB3 ASP A 62 8.227 14.319 -4.586 1.00 22.23 H new ATOM 999 N GLY A 63 5.933 15.826 -4.172 1.00 35.41 N ATOM 1000 CA GLY A 63 4.679 16.267 -4.778 1.00 45.34 C ATOM 1001 C GLY A 63 4.658 16.130 -6.295 1.00 60.25 C ATOM 1002 O GLY A 63 3.898 16.835 -6.966 1.00 13.40 O ATOM 0 H GLY A 63 5.965 14.825 -3.981 1.00 35.41 H new ATOM 0 HA2 GLY A 63 3.857 15.688 -4.357 1.00 45.34 H new ATOM 0 HA3 GLY A 63 4.503 17.309 -4.512 1.00 45.34 H new ATOM 1006 N LEU A 64 5.464 15.192 -6.844 1.00 72.24 N ATOM 1007 CA LEU A 64 5.468 14.893 -8.304 1.00 52.12 C ATOM 1008 C LEU A 64 4.386 13.847 -8.664 1.00 41.31 C ATOM 1009 O LEU A 64 4.381 13.318 -9.783 1.00 40.53 O ATOM 1010 CB LEU A 64 6.877 14.427 -8.818 1.00 42.43 C ATOM 1011 CG LEU A 64 7.368 12.980 -8.451 1.00 11.11 C ATOM 1012 CD1 LEU A 64 8.587 12.565 -9.316 1.00 12.53 C ATOM 1013 CD2 LEU A 64 7.692 12.858 -6.954 1.00 25.11 C ATOM 0 H LEU A 64 6.120 14.628 -6.304 1.00 72.24 H new ATOM 0 HA LEU A 64 5.232 15.828 -8.812 1.00 52.12 H new ATOM 0 HB2 LEU A 64 6.878 14.512 -9.905 1.00 42.43 H new ATOM 0 HB3 LEU A 64 7.617 15.133 -8.442 1.00 42.43 H new ATOM 0 HG LEU A 64 6.550 12.294 -8.670 1.00 11.11 H new ATOM 0 HD11 LEU A 64 8.904 11.560 -9.039 1.00 12.53 H new ATOM 0 HD12 LEU A 64 8.308 12.580 -10.369 1.00 12.53 H new ATOM 0 HD13 LEU A 64 9.407 13.263 -9.148 1.00 12.53 H new ATOM 0 HD21 LEU A 64 8.028 11.844 -6.736 1.00 25.11 H new ATOM 0 HD22 LEU A 64 8.479 13.566 -6.693 1.00 25.11 H new ATOM 0 HD23 LEU A 64 6.799 13.077 -6.369 1.00 25.11 H new ATOM 1025 N ILE A 65 3.455 13.581 -7.722 1.00 50.41 N ATOM 1026 CA ILE A 65 2.392 12.584 -7.900 1.00 40.33 C ATOM 1027 C ILE A 65 1.393 13.064 -8.965 1.00 21.35 C ATOM 1028 O ILE A 65 0.676 14.053 -8.741 1.00 50.42 O ATOM 1029 CB ILE A 65 1.572 12.300 -6.570 1.00 44.00 C ATOM 1030 CG1 ILE A 65 2.502 12.168 -5.329 1.00 42.51 C ATOM 1031 CG2 ILE A 65 0.697 11.024 -6.739 1.00 44.01 C ATOM 1032 CD1 ILE A 65 1.777 11.907 -4.014 1.00 2.02 C ATOM 0 H ILE A 65 3.425 14.055 -6.819 1.00 50.41 H new ATOM 0 HA ILE A 65 2.893 11.664 -8.201 1.00 40.33 H new ATOM 0 HB ILE A 65 0.921 13.156 -6.394 1.00 44.00 H new ATOM 0 HG12 ILE A 65 3.208 11.357 -5.506 1.00 42.51 H new ATOM 0 HG13 ILE A 65 3.086 13.083 -5.231 1.00 42.51 H new ATOM 0 HG21 ILE A 65 0.140 10.840 -5.820 1.00 44.01 H new ATOM 0 HG22 ILE A 65 -0.001 11.168 -7.564 1.00 44.01 H new ATOM 0 HG23 ILE A 65 1.338 10.169 -6.952 1.00 44.01 H new ATOM 0 HD11 ILE A 65 2.505 11.830 -3.206 1.00 2.02 H new ATOM 0 HD12 ILE A 65 1.091 12.729 -3.807 1.00 2.02 H new ATOM 0 HD13 ILE A 65 1.216 10.976 -4.087 1.00 2.02 H new ATOM 1044 N THR A 66 1.368 12.384 -10.116 1.00 0.14 N ATOM 1045 CA THR A 66 0.264 12.497 -11.070 1.00 34.34 C ATOM 1046 C THR A 66 -0.998 11.944 -10.376 1.00 1.30 C ATOM 1047 O THR A 66 -0.926 10.865 -9.776 1.00 52.54 O ATOM 1048 CB THR A 66 0.588 11.706 -12.385 1.00 10.22 C ATOM 1049 OG1 THR A 66 0.993 10.358 -12.066 1.00 53.32 O ATOM 1050 CG2 THR A 66 1.709 12.378 -13.199 1.00 62.23 C ATOM 0 H THR A 66 2.107 11.745 -10.409 1.00 0.14 H new ATOM 0 HA THR A 66 0.106 13.536 -11.361 1.00 34.34 H new ATOM 0 HB THR A 66 -0.321 11.698 -12.987 1.00 10.22 H new ATOM 0 HG1 THR A 66 0.478 10.035 -11.297 1.00 53.32 H new ATOM 0 HG21 THR A 66 1.902 11.798 -14.101 1.00 62.23 H new ATOM 0 HG22 THR A 66 1.403 13.387 -13.475 1.00 62.23 H new ATOM 0 HG23 THR A 66 2.617 12.426 -12.598 1.00 62.23 H new ATOM 1058 N THR A 67 -2.119 12.697 -10.412 1.00 1.43 N ATOM 1059 CA THR A 67 -3.341 12.370 -9.641 1.00 42.24 C ATOM 1060 C THR A 67 -3.880 10.954 -9.967 1.00 33.40 C ATOM 1061 O THR A 67 -4.427 10.270 -9.094 1.00 64.22 O ATOM 1062 CB THR A 67 -4.458 13.443 -9.882 1.00 62.25 C ATOM 1063 OG1 THR A 67 -3.924 14.768 -9.689 1.00 61.15 O ATOM 1064 CG2 THR A 67 -5.665 13.249 -8.939 1.00 11.13 C ATOM 0 H THR A 67 -2.204 13.545 -10.973 1.00 1.43 H new ATOM 0 HA THR A 67 -3.061 12.380 -8.588 1.00 42.24 H new ATOM 0 HB THR A 67 -4.802 13.318 -10.909 1.00 62.25 H new ATOM 0 HG1 THR A 67 -4.629 15.431 -9.844 1.00 61.15 H new ATOM 0 HG21 THR A 67 -6.413 14.015 -9.143 1.00 11.13 H new ATOM 0 HG22 THR A 67 -6.101 12.264 -9.104 1.00 11.13 H new ATOM 0 HG23 THR A 67 -5.335 13.331 -7.904 1.00 11.13 H new ATOM 1072 N VAL A 68 -3.668 10.514 -11.220 1.00 10.43 N ATOM 1073 CA VAL A 68 -4.067 9.176 -11.697 1.00 2.03 C ATOM 1074 C VAL A 68 -3.322 8.049 -10.940 1.00 73.01 C ATOM 1075 O VAL A 68 -3.844 6.945 -10.818 1.00 42.35 O ATOM 1076 CB VAL A 68 -3.874 9.057 -13.262 1.00 65.01 C ATOM 1077 CG1 VAL A 68 -4.063 7.607 -13.789 1.00 33.43 C ATOM 1078 CG2 VAL A 68 -4.844 10.017 -13.993 1.00 52.45 C ATOM 0 H VAL A 68 -3.212 11.080 -11.936 1.00 10.43 H new ATOM 0 HA VAL A 68 -5.128 9.050 -11.481 1.00 2.03 H new ATOM 0 HB VAL A 68 -2.842 9.339 -13.474 1.00 65.01 H new ATOM 0 HG11 VAL A 68 -3.918 7.591 -14.869 1.00 33.43 H new ATOM 0 HG12 VAL A 68 -3.334 6.950 -13.315 1.00 33.43 H new ATOM 0 HG13 VAL A 68 -5.070 7.262 -13.553 1.00 33.43 H new ATOM 0 HG21 VAL A 68 -4.702 9.927 -15.070 1.00 52.45 H new ATOM 0 HG22 VAL A 68 -5.872 9.758 -13.739 1.00 52.45 H new ATOM 0 HG23 VAL A 68 -4.641 11.043 -13.685 1.00 52.45 H new ATOM 1088 N TYR A 69 -2.128 8.350 -10.383 1.00 32.13 N ATOM 1089 CA TYR A 69 -1.363 7.374 -9.575 1.00 22.03 C ATOM 1090 C TYR A 69 -2.114 6.997 -8.280 1.00 11.22 C ATOM 1091 O TYR A 69 -1.932 5.892 -7.789 1.00 62.35 O ATOM 1092 CB TYR A 69 0.076 7.871 -9.244 1.00 60.21 C ATOM 1093 CG TYR A 69 0.864 6.887 -8.344 1.00 72.11 C ATOM 1094 CD1 TYR A 69 1.289 5.648 -8.838 1.00 71.42 C ATOM 1095 CD2 TYR A 69 1.124 7.166 -6.995 1.00 35.01 C ATOM 1096 CE1 TYR A 69 1.935 4.735 -8.028 1.00 73.05 C ATOM 1097 CE2 TYR A 69 1.778 6.256 -6.189 1.00 10.41 C ATOM 1098 CZ TYR A 69 2.181 5.041 -6.708 1.00 12.13 C ATOM 1099 OH TYR A 69 2.828 4.128 -5.905 1.00 14.04 O ATOM 0 H TYR A 69 -1.674 9.259 -10.478 1.00 32.13 H new ATOM 0 HA TYR A 69 -1.266 6.480 -10.191 1.00 22.03 H new ATOM 0 HB2 TYR A 69 0.625 8.023 -10.173 1.00 60.21 H new ATOM 0 HB3 TYR A 69 0.015 8.839 -8.747 1.00 60.21 H new ATOM 0 HD1 TYR A 69 1.108 5.401 -9.874 1.00 71.42 H new ATOM 0 HD2 TYR A 69 0.807 8.111 -6.579 1.00 35.01 H new ATOM 0 HE1 TYR A 69 2.247 3.782 -8.429 1.00 73.05 H new ATOM 0 HE2 TYR A 69 1.974 6.494 -5.154 1.00 10.41 H new ATOM 0 HH TYR A 69 3.337 4.602 -5.215 1.00 14.04 H new ATOM 1109 N PHE A 70 -2.933 7.917 -7.721 1.00 5.14 N ATOM 1110 CA PHE A 70 -3.814 7.584 -6.569 1.00 31.24 C ATOM 1111 C PHE A 70 -4.759 6.431 -6.952 1.00 34.32 C ATOM 1112 O PHE A 70 -4.898 5.448 -6.217 1.00 43.54 O ATOM 1113 CB PHE A 70 -4.635 8.817 -6.109 1.00 34.31 C ATOM 1114 CG PHE A 70 -3.805 9.890 -5.400 1.00 30.10 C ATOM 1115 CD1 PHE A 70 -3.554 9.803 -4.028 1.00 52.33 C ATOM 1116 CD2 PHE A 70 -3.294 10.989 -6.092 1.00 10.41 C ATOM 1117 CE1 PHE A 70 -2.806 10.769 -3.377 1.00 52.31 C ATOM 1118 CE2 PHE A 70 -2.548 11.955 -5.442 1.00 5.43 C ATOM 1119 CZ PHE A 70 -2.312 11.850 -4.084 1.00 30.22 C ATOM 0 H PHE A 70 -3.005 8.883 -8.040 1.00 5.14 H new ATOM 0 HA PHE A 70 -3.182 7.275 -5.736 1.00 31.24 H new ATOM 0 HB2 PHE A 70 -5.119 9.263 -6.978 1.00 34.31 H new ATOM 0 HB3 PHE A 70 -5.427 8.483 -5.439 1.00 34.31 H new ATOM 0 HD1 PHE A 70 -3.950 8.969 -3.467 1.00 52.33 H new ATOM 0 HD2 PHE A 70 -3.484 11.086 -7.151 1.00 10.41 H new ATOM 0 HE1 PHE A 70 -2.609 10.679 -2.319 1.00 52.31 H new ATOM 0 HE2 PHE A 70 -2.149 12.792 -5.996 1.00 5.43 H new ATOM 0 HZ PHE A 70 -1.741 12.613 -3.575 1.00 30.22 H new ATOM 1129 N TYR A 71 -5.349 6.565 -8.149 1.00 24.02 N ATOM 1130 CA TYR A 71 -6.254 5.566 -8.738 1.00 3.20 C ATOM 1131 C TYR A 71 -5.502 4.244 -8.957 1.00 4.22 C ATOM 1132 O TYR A 71 -5.940 3.205 -8.482 1.00 24.35 O ATOM 1133 CB TYR A 71 -6.834 6.094 -10.083 1.00 64.53 C ATOM 1134 CG TYR A 71 -7.687 7.374 -9.952 1.00 14.21 C ATOM 1135 CD1 TYR A 71 -7.098 8.604 -9.637 1.00 33.53 C ATOM 1136 CD2 TYR A 71 -9.071 7.354 -10.143 1.00 50.21 C ATOM 1137 CE1 TYR A 71 -7.847 9.753 -9.515 1.00 73.22 C ATOM 1138 CE2 TYR A 71 -9.823 8.507 -10.023 1.00 43.21 C ATOM 1139 CZ TYR A 71 -9.207 9.701 -9.710 1.00 41.01 C ATOM 1140 OH TYR A 71 -9.958 10.850 -9.587 1.00 52.11 O ATOM 0 H TYR A 71 -5.209 7.382 -8.744 1.00 24.02 H new ATOM 0 HA TYR A 71 -7.082 5.387 -8.052 1.00 3.20 H new ATOM 0 HB2 TYR A 71 -6.009 6.290 -10.768 1.00 64.53 H new ATOM 0 HB3 TYR A 71 -7.443 5.311 -10.534 1.00 64.53 H new ATOM 0 HD1 TYR A 71 -6.030 8.653 -9.486 1.00 33.53 H new ATOM 0 HD2 TYR A 71 -9.561 6.423 -10.388 1.00 50.21 H new ATOM 0 HE1 TYR A 71 -7.369 10.689 -9.268 1.00 73.22 H new ATOM 0 HE2 TYR A 71 -10.892 8.473 -10.174 1.00 43.21 H new ATOM 0 HH TYR A 71 -10.901 10.644 -9.757 1.00 52.11 H new ATOM 1150 N GLU A 72 -4.332 4.326 -9.627 1.00 24.35 N ATOM 1151 CA GLU A 72 -3.481 3.156 -9.928 1.00 44.11 C ATOM 1152 C GLU A 72 -3.114 2.395 -8.653 1.00 71.32 C ATOM 1153 O GLU A 72 -3.301 1.189 -8.579 1.00 11.13 O ATOM 1154 CB GLU A 72 -2.180 3.582 -10.666 1.00 30.43 C ATOM 1155 CG GLU A 72 -2.402 4.243 -12.036 1.00 2.03 C ATOM 1156 CD GLU A 72 -3.215 3.364 -12.999 1.00 54.31 C ATOM 1157 OE1 GLU A 72 -2.695 2.314 -13.434 1.00 5.34 O ATOM 1158 OE2 GLU A 72 -4.366 3.712 -13.331 1.00 22.24 O ATOM 0 H GLU A 72 -3.951 5.206 -9.974 1.00 24.35 H new ATOM 0 HA GLU A 72 -4.059 2.500 -10.578 1.00 44.11 H new ATOM 0 HB2 GLU A 72 -1.628 4.274 -10.030 1.00 30.43 H new ATOM 0 HB3 GLU A 72 -1.551 2.702 -10.801 1.00 30.43 H new ATOM 0 HG2 GLU A 72 -2.918 5.193 -11.896 1.00 2.03 H new ATOM 0 HG3 GLU A 72 -1.435 4.468 -12.486 1.00 2.03 H new ATOM 1165 N LEU A 73 -2.634 3.148 -7.651 1.00 4.42 N ATOM 1166 CA LEU A 73 -2.141 2.613 -6.377 1.00 34.32 C ATOM 1167 C LEU A 73 -3.260 1.878 -5.636 1.00 73.31 C ATOM 1168 O LEU A 73 -3.150 0.673 -5.375 1.00 13.30 O ATOM 1169 CB LEU A 73 -1.575 3.765 -5.495 1.00 50.30 C ATOM 1170 CG LEU A 73 -1.071 3.366 -4.068 1.00 35.21 C ATOM 1171 CD1 LEU A 73 0.075 2.334 -4.131 1.00 41.33 C ATOM 1172 CD2 LEU A 73 -0.668 4.614 -3.252 1.00 43.13 C ATOM 0 H LEU A 73 -2.578 4.165 -7.707 1.00 4.42 H new ATOM 0 HA LEU A 73 -1.340 1.903 -6.584 1.00 34.32 H new ATOM 0 HB2 LEU A 73 -0.748 4.231 -6.031 1.00 50.30 H new ATOM 0 HB3 LEU A 73 -2.351 4.523 -5.384 1.00 50.30 H new ATOM 0 HG LEU A 73 -1.901 2.885 -3.551 1.00 35.21 H new ATOM 0 HD11 LEU A 73 0.396 2.084 -3.120 1.00 41.33 H new ATOM 0 HD12 LEU A 73 -0.275 1.432 -4.634 1.00 41.33 H new ATOM 0 HD13 LEU A 73 0.914 2.756 -4.684 1.00 41.33 H new ATOM 0 HD21 LEU A 73 -0.322 4.307 -2.265 1.00 43.13 H new ATOM 0 HD22 LEU A 73 0.132 5.144 -3.769 1.00 43.13 H new ATOM 0 HD23 LEU A 73 -1.530 5.273 -3.146 1.00 43.13 H new ATOM 1184 N GLN A 74 -4.352 2.612 -5.337 1.00 23.22 N ATOM 1185 CA GLN A 74 -5.455 2.086 -4.519 1.00 41.53 C ATOM 1186 C GLN A 74 -6.159 0.909 -5.217 1.00 3.24 C ATOM 1187 O GLN A 74 -6.464 -0.080 -4.562 1.00 22.22 O ATOM 1188 CB GLN A 74 -6.463 3.205 -4.155 1.00 44.24 C ATOM 1189 CG GLN A 74 -5.835 4.381 -3.375 1.00 54.55 C ATOM 1190 CD GLN A 74 -6.852 5.447 -2.965 1.00 43.42 C ATOM 1191 OE1 GLN A 74 -7.398 5.317 -1.765 1.00 32.03 O flip ATOM 1192 NE2 GLN A 74 -7.138 6.383 -3.714 1.00 14.15 N flip ATOM 0 H GLN A 74 -4.490 3.572 -5.653 1.00 23.22 H new ATOM 0 HA GLN A 74 -5.026 1.709 -3.591 1.00 41.53 H new ATOM 0 HB2 GLN A 74 -6.913 3.588 -5.071 1.00 44.24 H new ATOM 0 HB3 GLN A 74 -7.269 2.776 -3.560 1.00 44.24 H new ATOM 0 HG2 GLN A 74 -5.344 3.995 -2.482 1.00 54.55 H new ATOM 0 HG3 GLN A 74 -5.062 4.843 -3.989 1.00 54.55 H new ATOM 0 HE21 GLN A 74 -6.699 6.454 -4.632 1.00 14.15 H new ATOM 0 HE22 GLN A 74 -7.813 7.087 -3.416 1.00 14.15 H new ATOM 1201 N GLU A 75 -6.362 1.010 -6.550 1.00 12.33 N ATOM 1202 CA GLU A 75 -7.042 -0.039 -7.350 1.00 44.34 C ATOM 1203 C GLU A 75 -6.158 -1.285 -7.543 1.00 14.24 C ATOM 1204 O GLU A 75 -6.686 -2.404 -7.615 1.00 53.12 O ATOM 1205 CB GLU A 75 -7.487 0.513 -8.727 1.00 50.01 C ATOM 1206 CG GLU A 75 -8.621 1.555 -8.651 1.00 61.02 C ATOM 1207 CD GLU A 75 -9.055 2.077 -10.026 1.00 71.51 C ATOM 1208 OE1 GLU A 75 -9.553 1.269 -10.837 1.00 23.14 O ATOM 1209 OE2 GLU A 75 -8.934 3.292 -10.286 1.00 13.42 O ATOM 0 H GLU A 75 -6.062 1.815 -7.100 1.00 12.33 H new ATOM 0 HA GLU A 75 -7.925 -0.340 -6.786 1.00 44.34 H new ATOM 0 HB2 GLU A 75 -6.626 0.964 -9.221 1.00 50.01 H new ATOM 0 HB3 GLU A 75 -7.813 -0.319 -9.351 1.00 50.01 H new ATOM 0 HG2 GLU A 75 -9.481 1.110 -8.150 1.00 61.02 H new ATOM 0 HG3 GLU A 75 -8.294 2.394 -8.038 1.00 61.02 H new ATOM 1216 N ASN A 76 -4.824 -1.081 -7.650 1.00 60.41 N ATOM 1217 CA ASN A 76 -3.850 -2.185 -7.737 1.00 64.00 C ATOM 1218 C ASN A 76 -3.907 -2.988 -6.442 1.00 14.43 C ATOM 1219 O ASN A 76 -4.209 -4.181 -6.458 1.00 33.23 O ATOM 1220 CB ASN A 76 -2.416 -1.633 -7.997 1.00 12.33 C ATOM 1221 CG ASN A 76 -1.294 -2.662 -7.801 1.00 40.04 C ATOM 1222 OD1 ASN A 76 -0.716 -2.691 -6.609 1.00 32.02 O flip ATOM 1223 ND2 ASN A 76 -0.933 -3.404 -8.710 1.00 12.44 N flip ATOM 0 H ASN A 76 -4.400 -0.154 -7.678 1.00 60.41 H new ATOM 0 HA ASN A 76 -4.101 -2.836 -8.575 1.00 64.00 H new ATOM 0 HB2 ASN A 76 -2.367 -1.250 -9.016 1.00 12.33 H new ATOM 0 HB3 ASN A 76 -2.239 -0.789 -7.330 1.00 12.33 H new ATOM 0 HD21 ASN A 76 -1.396 -3.361 -9.618 1.00 12.44 H new ATOM 0 HD22 ASN A 76 -0.170 -4.064 -8.557 1.00 12.44 H new ATOM 1230 N LEU A 77 -3.699 -2.278 -5.320 1.00 11.23 N ATOM 1231 CA LEU A 77 -3.686 -2.867 -3.977 1.00 45.13 C ATOM 1232 C LEU A 77 -5.047 -3.501 -3.632 1.00 74.32 C ATOM 1233 O LEU A 77 -5.092 -4.515 -2.948 1.00 23.32 O ATOM 1234 CB LEU A 77 -3.316 -1.791 -2.924 1.00 54.33 C ATOM 1235 CG LEU A 77 -1.915 -1.110 -3.059 1.00 0.04 C ATOM 1236 CD1 LEU A 77 -1.655 -0.161 -1.866 1.00 33.12 C ATOM 1237 CD2 LEU A 77 -0.782 -2.151 -3.224 1.00 64.11 C ATOM 0 H LEU A 77 -3.534 -1.271 -5.324 1.00 11.23 H new ATOM 0 HA LEU A 77 -2.933 -3.655 -3.962 1.00 45.13 H new ATOM 0 HB2 LEU A 77 -4.076 -1.010 -2.958 1.00 54.33 H new ATOM 0 HB3 LEU A 77 -3.375 -2.250 -1.937 1.00 54.33 H new ATOM 0 HG LEU A 77 -1.920 -0.511 -3.969 1.00 0.04 H new ATOM 0 HD11 LEU A 77 -0.675 0.304 -1.977 1.00 33.12 H new ATOM 0 HD12 LEU A 77 -2.423 0.612 -1.842 1.00 33.12 H new ATOM 0 HD13 LEU A 77 -1.683 -0.729 -0.936 1.00 33.12 H new ATOM 0 HD21 LEU A 77 0.175 -1.636 -3.314 1.00 64.11 H new ATOM 0 HD22 LEU A 77 -0.761 -2.806 -2.353 1.00 64.11 H new ATOM 0 HD23 LEU A 77 -0.961 -2.744 -4.121 1.00 64.11 H new ATOM 1249 N GLU A 78 -6.136 -2.877 -4.121 1.00 62.35 N ATOM 1250 CA GLU A 78 -7.521 -3.363 -3.940 1.00 30.44 C ATOM 1251 C GLU A 78 -7.703 -4.715 -4.650 1.00 14.31 C ATOM 1252 O GLU A 78 -8.218 -5.673 -4.076 1.00 12.40 O ATOM 1253 CB GLU A 78 -8.513 -2.319 -4.522 1.00 71.32 C ATOM 1254 CG GLU A 78 -10.001 -2.567 -4.228 1.00 42.23 C ATOM 1255 CD GLU A 78 -10.918 -1.565 -4.959 1.00 31.24 C ATOM 1256 OE1 GLU A 78 -11.011 -0.391 -4.528 1.00 71.23 O ATOM 1257 OE2 GLU A 78 -11.541 -1.940 -5.978 1.00 1.13 O ATOM 0 H GLU A 78 -6.080 -2.012 -4.659 1.00 62.35 H new ATOM 0 HA GLU A 78 -7.720 -3.498 -2.877 1.00 30.44 H new ATOM 0 HB2 GLU A 78 -8.245 -1.337 -4.133 1.00 71.32 H new ATOM 0 HB3 GLU A 78 -8.378 -2.282 -5.603 1.00 71.32 H new ATOM 0 HG2 GLU A 78 -10.264 -3.582 -4.527 1.00 42.23 H new ATOM 0 HG3 GLU A 78 -10.173 -2.497 -3.154 1.00 42.23 H new ATOM 1264 N LYS A 79 -7.247 -4.776 -5.906 1.00 73.21 N ATOM 1265 CA LYS A 79 -7.344 -5.988 -6.739 1.00 41.25 C ATOM 1266 C LYS A 79 -6.442 -7.113 -6.184 1.00 55.52 C ATOM 1267 O LYS A 79 -6.790 -8.292 -6.273 1.00 3.11 O ATOM 1268 CB LYS A 79 -6.984 -5.629 -8.203 1.00 41.21 C ATOM 1269 CG LYS A 79 -7.240 -6.747 -9.240 1.00 2.52 C ATOM 1270 CD LYS A 79 -7.067 -6.237 -10.690 1.00 54.15 C ATOM 1271 CE LYS A 79 -7.349 -7.316 -11.744 1.00 24.44 C ATOM 1272 NZ LYS A 79 -7.256 -6.771 -13.123 1.00 65.33 N ATOM 0 H LYS A 79 -6.800 -3.989 -6.377 1.00 73.21 H new ATOM 0 HA LYS A 79 -8.366 -6.366 -6.716 1.00 41.25 H new ATOM 0 HB2 LYS A 79 -7.556 -4.748 -8.495 1.00 41.21 H new ATOM 0 HB3 LYS A 79 -5.930 -5.353 -8.243 1.00 41.21 H new ATOM 0 HG2 LYS A 79 -6.552 -7.573 -9.061 1.00 2.52 H new ATOM 0 HG3 LYS A 79 -8.249 -7.139 -9.111 1.00 2.52 H new ATOM 0 HD2 LYS A 79 -7.737 -5.393 -10.854 1.00 54.15 H new ATOM 0 HD3 LYS A 79 -6.050 -5.867 -10.820 1.00 54.15 H new ATOM 0 HE2 LYS A 79 -6.639 -8.134 -11.627 1.00 24.44 H new ATOM 0 HE3 LYS A 79 -8.344 -7.732 -11.583 1.00 24.44 H new ATOM 0 HZ1 LYS A 79 -7.452 -7.527 -13.809 1.00 65.33 H new ATOM 0 HZ2 LYS A 79 -7.951 -6.007 -13.242 1.00 65.33 H new ATOM 0 HZ3 LYS A 79 -6.299 -6.397 -13.285 1.00 65.33 H new ATOM 1286 N LEU A 80 -5.304 -6.720 -5.574 1.00 11.00 N ATOM 1287 CA LEU A 80 -4.339 -7.659 -4.962 1.00 4.14 C ATOM 1288 C LEU A 80 -4.820 -8.146 -3.585 1.00 62.21 C ATOM 1289 O LEU A 80 -4.505 -9.262 -3.183 1.00 74.02 O ATOM 1290 CB LEU A 80 -2.949 -6.995 -4.828 1.00 44.51 C ATOM 1291 CG LEU A 80 -2.251 -6.576 -6.159 1.00 21.02 C ATOM 1292 CD1 LEU A 80 -0.869 -5.953 -5.877 1.00 3.44 C ATOM 1293 CD2 LEU A 80 -2.166 -7.754 -7.159 1.00 23.20 C ATOM 0 H LEU A 80 -5.028 -5.742 -5.492 1.00 11.00 H new ATOM 0 HA LEU A 80 -4.262 -8.525 -5.620 1.00 4.14 H new ATOM 0 HB2 LEU A 80 -3.052 -6.108 -4.202 1.00 44.51 H new ATOM 0 HB3 LEU A 80 -2.291 -7.684 -4.299 1.00 44.51 H new ATOM 0 HG LEU A 80 -2.866 -5.812 -6.635 1.00 21.02 H new ATOM 0 HD11 LEU A 80 -0.399 -5.668 -6.818 1.00 3.44 H new ATOM 0 HD12 LEU A 80 -0.989 -5.070 -5.249 1.00 3.44 H new ATOM 0 HD13 LEU A 80 -0.240 -6.680 -5.363 1.00 3.44 H new ATOM 0 HD21 LEU A 80 -1.674 -7.421 -8.073 1.00 23.20 H new ATOM 0 HD22 LEU A 80 -1.594 -8.568 -6.714 1.00 23.20 H new ATOM 0 HD23 LEU A 80 -3.171 -8.104 -7.395 1.00 23.20 H new ATOM 1305 N LEU A 81 -5.563 -7.287 -2.866 1.00 73.01 N ATOM 1306 CA LEU A 81 -6.177 -7.644 -1.569 1.00 71.02 C ATOM 1307 C LEU A 81 -7.328 -8.622 -1.817 1.00 42.14 C ATOM 1308 O LEU A 81 -7.533 -9.582 -1.058 1.00 24.22 O ATOM 1309 CB LEU A 81 -6.598 -6.345 -0.765 1.00 52.11 C ATOM 1310 CG LEU A 81 -8.043 -6.261 -0.128 1.00 50.33 C ATOM 1311 CD1 LEU A 81 -8.062 -5.323 1.098 1.00 74.32 C ATOM 1312 CD2 LEU A 81 -9.106 -5.787 -1.155 1.00 71.31 C ATOM 0 H LEU A 81 -5.756 -6.330 -3.163 1.00 73.01 H new ATOM 0 HA LEU A 81 -5.454 -8.151 -0.930 1.00 71.02 H new ATOM 0 HB2 LEU A 81 -5.877 -6.211 0.041 1.00 52.11 H new ATOM 0 HB3 LEU A 81 -6.487 -5.494 -1.437 1.00 52.11 H new ATOM 0 HG LEU A 81 -8.298 -7.272 0.190 1.00 50.33 H new ATOM 0 HD11 LEU A 81 -9.069 -5.287 1.513 1.00 74.32 H new ATOM 0 HD12 LEU A 81 -7.372 -5.698 1.854 1.00 74.32 H new ATOM 0 HD13 LEU A 81 -7.759 -4.321 0.794 1.00 74.32 H new ATOM 0 HD21 LEU A 81 -10.083 -5.744 -0.674 1.00 71.31 H new ATOM 0 HD22 LEU A 81 -8.839 -4.797 -1.524 1.00 71.31 H new ATOM 0 HD23 LEU A 81 -9.143 -6.487 -1.990 1.00 71.31 H new ATOM 1324 N GLN A 82 -8.041 -8.382 -2.932 1.00 51.54 N ATOM 1325 CA GLN A 82 -9.144 -9.231 -3.373 1.00 33.12 C ATOM 1326 C GLN A 82 -8.595 -10.573 -3.899 1.00 44.32 C ATOM 1327 O GLN A 82 -9.215 -11.627 -3.707 1.00 44.41 O ATOM 1328 CB GLN A 82 -9.994 -8.490 -4.445 1.00 34.34 C ATOM 1329 CG GLN A 82 -11.431 -9.028 -4.585 1.00 54.24 C ATOM 1330 CD GLN A 82 -12.261 -8.885 -3.295 1.00 2.43 C ATOM 1331 OE1 GLN A 82 -12.097 -7.933 -2.528 1.00 41.13 O ATOM 1332 NE2 GLN A 82 -13.136 -9.841 -3.030 1.00 52.01 N ATOM 0 H GLN A 82 -7.862 -7.590 -3.549 1.00 51.54 H new ATOM 0 HA GLN A 82 -9.799 -9.448 -2.529 1.00 33.12 H new ATOM 0 HB2 GLN A 82 -10.036 -7.431 -4.192 1.00 34.34 H new ATOM 0 HB3 GLN A 82 -9.492 -8.568 -5.409 1.00 34.34 H new ATOM 0 HG2 GLN A 82 -11.934 -8.497 -5.393 1.00 54.24 H new ATOM 0 HG3 GLN A 82 -11.392 -10.079 -4.870 1.00 54.24 H new ATOM 0 HE21 GLN A 82 -13.254 -10.619 -3.680 1.00 52.01 H new ATOM 0 HE22 GLN A 82 -13.693 -9.801 -2.176 1.00 52.01 H new ATOM 1341 N ASP A 83 -7.413 -10.511 -4.548 1.00 4.14 N ATOM 1342 CA ASP A 83 -6.665 -11.708 -4.986 1.00 33.53 C ATOM 1343 C ASP A 83 -6.133 -12.486 -3.766 1.00 64.02 C ATOM 1344 O ASP A 83 -6.055 -13.710 -3.791 1.00 50.05 O ATOM 1345 CB ASP A 83 -5.489 -11.313 -5.919 1.00 62.41 C ATOM 1346 CG ASP A 83 -4.715 -12.530 -6.476 1.00 54.14 C ATOM 1347 OD1 ASP A 83 -5.182 -13.139 -7.459 1.00 53.14 O ATOM 1348 OD2 ASP A 83 -3.641 -12.885 -5.935 1.00 64.42 O ATOM 0 H ASP A 83 -6.952 -9.632 -4.782 1.00 4.14 H new ATOM 0 HA ASP A 83 -7.348 -12.349 -5.543 1.00 33.53 H new ATOM 0 HB2 ASP A 83 -5.876 -10.726 -6.751 1.00 62.41 H new ATOM 0 HB3 ASP A 83 -4.799 -10.672 -5.371 1.00 62.41 H new ATOM 1353 N ALA A 84 -5.758 -11.745 -2.708 1.00 74.12 N ATOM 1354 CA ALA A 84 -5.285 -12.332 -1.437 1.00 4.44 C ATOM 1355 C ALA A 84 -6.427 -13.042 -0.703 1.00 12.35 C ATOM 1356 O ALA A 84 -6.189 -14.013 0.012 1.00 73.11 O ATOM 1357 CB ALA A 84 -4.657 -11.256 -0.540 1.00 65.01 C ATOM 0 H ALA A 84 -5.773 -10.725 -2.708 1.00 74.12 H new ATOM 0 HA ALA A 84 -4.520 -13.072 -1.674 1.00 4.44 H new ATOM 0 HB1 ALA A 84 -4.316 -11.711 0.390 1.00 65.01 H new ATOM 0 HB2 ALA A 84 -3.810 -10.803 -1.054 1.00 65.01 H new ATOM 0 HB3 ALA A 84 -5.399 -10.489 -0.318 1.00 65.01 H new ATOM 1363 N TYR A 85 -7.659 -12.518 -0.860 1.00 64.21 N ATOM 1364 CA TYR A 85 -8.882 -13.155 -0.329 1.00 40.11 C ATOM 1365 C TYR A 85 -9.168 -14.529 -0.986 1.00 72.34 C ATOM 1366 O TYR A 85 -9.739 -15.415 -0.336 1.00 31.13 O ATOM 1367 CB TYR A 85 -10.118 -12.232 -0.533 1.00 24.34 C ATOM 1368 CG TYR A 85 -10.268 -11.059 0.461 1.00 44.32 C ATOM 1369 CD1 TYR A 85 -10.236 -11.270 1.847 1.00 12.55 C ATOM 1370 CD2 TYR A 85 -10.516 -9.757 0.015 1.00 51.11 C ATOM 1371 CE1 TYR A 85 -10.451 -10.227 2.735 1.00 53.24 C ATOM 1372 CE2 TYR A 85 -10.712 -8.715 0.898 1.00 55.02 C ATOM 1373 CZ TYR A 85 -10.683 -8.949 2.253 1.00 72.33 C ATOM 1374 OH TYR A 85 -10.918 -7.904 3.128 1.00 64.22 O ATOM 0 H TYR A 85 -7.835 -11.644 -1.357 1.00 64.21 H new ATOM 0 HA TYR A 85 -8.706 -13.315 0.735 1.00 40.11 H new ATOM 0 HB2 TYR A 85 -10.076 -11.822 -1.542 1.00 24.34 H new ATOM 0 HB3 TYR A 85 -11.017 -12.846 -0.476 1.00 24.34 H new ATOM 0 HD1 TYR A 85 -10.041 -12.261 2.229 1.00 12.55 H new ATOM 0 HD2 TYR A 85 -10.555 -9.562 -1.047 1.00 51.11 H new ATOM 0 HE1 TYR A 85 -10.438 -10.410 3.799 1.00 53.24 H new ATOM 0 HE2 TYR A 85 -10.888 -7.717 0.526 1.00 55.02 H new ATOM 0 HH TYR A 85 -10.887 -8.236 4.050 1.00 64.22 H new ATOM 1384 N GLU A 86 -8.796 -14.693 -2.276 1.00 13.13 N ATOM 1385 CA GLU A 86 -9.184 -15.885 -3.079 1.00 14.35 C ATOM 1386 C GLU A 86 -7.981 -16.731 -3.492 1.00 70.41 C ATOM 1387 O GLU A 86 -6.936 -16.203 -3.861 1.00 24.31 O ATOM 1388 CB GLU A 86 -10.029 -15.474 -4.324 1.00 22.12 C ATOM 1389 CG GLU A 86 -11.550 -15.502 -4.073 1.00 52.41 C ATOM 1390 CD GLU A 86 -12.043 -16.906 -3.674 1.00 31.04 C ATOM 1391 OE1 GLU A 86 -12.113 -17.790 -4.554 1.00 23.33 O ATOM 1392 OE2 GLU A 86 -12.323 -17.147 -2.478 1.00 30.43 O ATOM 0 H GLU A 86 -8.228 -14.017 -2.787 1.00 13.13 H new ATOM 0 HA GLU A 86 -9.802 -16.508 -2.433 1.00 14.35 H new ATOM 0 HB2 GLU A 86 -9.739 -14.470 -4.635 1.00 22.12 H new ATOM 0 HB3 GLU A 86 -9.793 -16.144 -5.150 1.00 22.12 H new ATOM 0 HG2 GLU A 86 -11.801 -14.792 -3.285 1.00 52.41 H new ATOM 0 HG3 GLU A 86 -12.072 -15.176 -4.973 1.00 52.41 H new ATOM 1399 N ARG A 87 -8.178 -18.074 -3.430 1.00 33.05 N ATOM 1400 CA ARG A 87 -7.126 -19.098 -3.663 1.00 11.31 C ATOM 1401 C ARG A 87 -5.931 -18.894 -2.686 1.00 44.12 C ATOM 1402 O ARG A 87 -4.818 -19.401 -2.883 1.00 71.02 O ATOM 1403 CB ARG A 87 -6.710 -19.123 -5.168 1.00 53.40 C ATOM 1404 CG ARG A 87 -5.948 -20.398 -5.602 1.00 4.44 C ATOM 1405 CD ARG A 87 -5.871 -20.575 -7.125 1.00 3.31 C ATOM 1406 NE ARG A 87 -5.187 -21.831 -7.478 1.00 43.30 N ATOM 1407 CZ ARG A 87 -5.788 -22.992 -7.777 1.00 44.43 C ATOM 1408 NH1 ARG A 87 -7.116 -23.095 -7.788 1.00 14.01 N ATOM 1409 NH2 ARG A 87 -5.049 -24.060 -8.037 1.00 53.42 N ATOM 0 H ARG A 87 -9.087 -18.482 -3.213 1.00 33.05 H new ATOM 0 HA ARG A 87 -7.527 -20.087 -3.442 1.00 11.31 H new ATOM 0 HB2 ARG A 87 -7.606 -19.024 -5.781 1.00 53.40 H new ATOM 0 HB3 ARG A 87 -6.085 -18.254 -5.374 1.00 53.40 H new ATOM 0 HG2 ARG A 87 -4.937 -20.364 -5.196 1.00 4.44 H new ATOM 0 HG3 ARG A 87 -6.436 -21.270 -5.167 1.00 4.44 H new ATOM 0 HD2 ARG A 87 -6.876 -20.574 -7.546 1.00 3.31 H new ATOM 0 HD3 ARG A 87 -5.340 -19.731 -7.566 1.00 3.31 H new ATOM 0 HE ARG A 87 -4.167 -21.816 -7.497 1.00 43.30 H new ATOM 0 HH11 ARG A 87 -7.692 -22.283 -7.567 1.00 14.01 H new ATOM 0 HH12 ARG A 87 -7.557 -23.986 -8.018 1.00 14.01 H new ATOM 0 HH21 ARG A 87 -4.031 -23.995 -8.009 1.00 53.42 H new ATOM 0 HH22 ARG A 87 -5.497 -24.947 -8.265 1.00 53.42 H new ATOM 1423 N SER A 88 -6.240 -18.210 -1.588 1.00 23.11 N ATOM 1424 CA SER A 88 -5.308 -17.842 -0.546 1.00 12.22 C ATOM 1425 C SER A 88 -6.153 -17.583 0.705 1.00 41.43 C ATOM 1426 O SER A 88 -6.940 -16.636 0.749 1.00 70.33 O ATOM 1427 CB SER A 88 -4.489 -16.595 -0.962 1.00 41.15 C ATOM 1428 OG SER A 88 -3.702 -16.110 0.110 1.00 41.22 O ATOM 0 H SER A 88 -7.189 -17.887 -1.400 1.00 23.11 H new ATOM 0 HA SER A 88 -4.578 -18.629 -0.357 1.00 12.22 H new ATOM 0 HB2 SER A 88 -3.844 -16.846 -1.804 1.00 41.15 H new ATOM 0 HB3 SER A 88 -5.166 -15.811 -1.302 1.00 41.15 H new ATOM 0 HG SER A 88 -3.720 -15.130 0.112 1.00 41.22 H new ATOM 1434 N GLU A 89 -6.047 -18.490 1.668 1.00 53.44 N ATOM 1435 CA GLU A 89 -6.783 -18.440 2.941 1.00 33.24 C ATOM 1436 C GLU A 89 -5.862 -19.024 4.014 1.00 11.12 C ATOM 1437 O GLU A 89 -6.238 -19.860 4.840 1.00 42.12 O ATOM 1438 CB GLU A 89 -8.134 -19.198 2.787 1.00 25.32 C ATOM 1439 CG GLU A 89 -8.024 -20.614 2.176 1.00 34.41 C ATOM 1440 CD GLU A 89 -9.380 -21.274 1.843 1.00 52.55 C ATOM 1441 OE1 GLU A 89 -10.398 -20.964 2.503 1.00 51.24 O ATOM 1442 OE2 GLU A 89 -9.428 -22.125 0.929 1.00 53.43 O ATOM 0 H GLU A 89 -5.435 -19.302 1.591 1.00 53.44 H new ATOM 0 HA GLU A 89 -7.047 -17.425 3.237 1.00 33.24 H new ATOM 0 HB2 GLU A 89 -8.602 -19.278 3.768 1.00 25.32 H new ATOM 0 HB3 GLU A 89 -8.799 -18.601 2.164 1.00 25.32 H new ATOM 0 HG2 GLU A 89 -7.428 -20.558 1.265 1.00 34.41 H new ATOM 0 HG3 GLU A 89 -7.483 -21.255 2.872 1.00 34.41 H new ATOM 1449 N SER A 90 -4.628 -18.511 3.981 1.00 61.11 N ATOM 1450 CA SER A 90 -3.465 -19.101 4.653 1.00 42.20 C ATOM 1451 C SER A 90 -3.018 -18.281 5.880 1.00 2.05 C ATOM 1452 O SER A 90 -1.949 -18.561 6.421 1.00 2.41 O ATOM 1453 CB SER A 90 -2.322 -19.175 3.604 1.00 25.32 C ATOM 1454 OG SER A 90 -2.766 -19.794 2.402 1.00 71.43 O ATOM 0 H SER A 90 -4.404 -17.654 3.475 1.00 61.11 H new ATOM 0 HA SER A 90 -3.725 -20.090 5.030 1.00 42.20 H new ATOM 0 HB2 SER A 90 -1.959 -18.171 3.386 1.00 25.32 H new ATOM 0 HB3 SER A 90 -1.482 -19.735 4.016 1.00 25.32 H new ATOM 0 HG SER A 90 -2.028 -19.826 1.758 1.00 71.43 H new ATOM 1460 N LEU A 91 -3.849 -17.287 6.301 1.00 73.04 N ATOM 1461 CA LEU A 91 -3.533 -16.276 7.358 1.00 10.14 C ATOM 1462 C LEU A 91 -2.631 -15.151 6.782 1.00 64.52 C ATOM 1463 O LEU A 91 -2.774 -13.996 7.167 1.00 3.54 O ATOM 1464 CB LEU A 91 -2.929 -16.918 8.664 1.00 64.12 C ATOM 1465 CG LEU A 91 -3.233 -16.230 10.050 1.00 25.04 C ATOM 1466 CD1 LEU A 91 -2.725 -17.106 11.218 1.00 41.41 C ATOM 1467 CD2 LEU A 91 -2.651 -14.798 10.158 1.00 64.30 C ATOM 0 H LEU A 91 -4.781 -17.161 5.907 1.00 73.04 H new ATOM 0 HA LEU A 91 -4.476 -15.827 7.669 1.00 10.14 H new ATOM 0 HB2 LEU A 91 -3.281 -17.948 8.721 1.00 64.12 H new ATOM 0 HB3 LEU A 91 -1.846 -16.958 8.544 1.00 64.12 H new ATOM 0 HG LEU A 91 -4.317 -16.135 10.115 1.00 25.04 H new ATOM 0 HD11 LEU A 91 -2.945 -16.613 12.165 1.00 41.41 H new ATOM 0 HD12 LEU A 91 -3.223 -18.075 11.189 1.00 41.41 H new ATOM 0 HD13 LEU A 91 -1.648 -17.248 11.124 1.00 41.41 H new ATOM 0 HD21 LEU A 91 -2.894 -14.379 11.134 1.00 64.30 H new ATOM 0 HD22 LEU A 91 -1.568 -14.835 10.039 1.00 64.30 H new ATOM 0 HD23 LEU A 91 -3.081 -14.171 9.377 1.00 64.30 H new ATOM 1479 N GLU A 92 -1.725 -15.492 5.834 1.00 4.14 N ATOM 1480 CA GLU A 92 -0.899 -14.500 5.094 1.00 22.04 C ATOM 1481 C GLU A 92 -1.766 -13.479 4.302 1.00 62.03 C ATOM 1482 O GLU A 92 -1.247 -12.463 3.821 1.00 53.43 O ATOM 1483 CB GLU A 92 0.105 -15.210 4.141 1.00 15.03 C ATOM 1484 CG GLU A 92 1.276 -15.968 4.819 1.00 43.33 C ATOM 1485 CD GLU A 92 0.866 -17.271 5.509 1.00 21.03 C ATOM 1486 OE1 GLU A 92 0.647 -18.271 4.801 1.00 63.51 O ATOM 1487 OE2 GLU A 92 0.756 -17.305 6.753 1.00 33.45 O ATOM 0 H GLU A 92 -1.545 -16.458 5.560 1.00 4.14 H new ATOM 0 HA GLU A 92 -0.339 -13.940 5.843 1.00 22.04 H new ATOM 0 HB2 GLU A 92 -0.450 -15.918 3.525 1.00 15.03 H new ATOM 0 HB3 GLU A 92 0.525 -14.463 3.468 1.00 15.03 H new ATOM 0 HG2 GLU A 92 2.033 -16.191 4.067 1.00 43.33 H new ATOM 0 HG3 GLU A 92 1.741 -15.312 5.554 1.00 43.33 H new ATOM 1494 N VAL A 93 -3.081 -13.778 4.173 1.00 45.20 N ATOM 1495 CA VAL A 93 -4.097 -12.832 3.657 1.00 41.43 C ATOM 1496 C VAL A 93 -4.108 -11.544 4.506 1.00 70.51 C ATOM 1497 O VAL A 93 -4.210 -10.443 3.965 1.00 62.43 O ATOM 1498 CB VAL A 93 -5.545 -13.469 3.699 1.00 44.23 C ATOM 1499 CG1 VAL A 93 -6.607 -12.551 3.028 1.00 1.11 C ATOM 1500 CG2 VAL A 93 -5.541 -14.885 3.092 1.00 73.52 C ATOM 0 H VAL A 93 -3.468 -14.687 4.426 1.00 45.20 H new ATOM 0 HA VAL A 93 -3.834 -12.602 2.625 1.00 41.43 H new ATOM 0 HB VAL A 93 -5.834 -13.559 4.746 1.00 44.23 H new ATOM 0 HG11 VAL A 93 -7.586 -13.028 3.080 1.00 1.11 H new ATOM 0 HG12 VAL A 93 -6.642 -11.594 3.549 1.00 1.11 H new ATOM 0 HG13 VAL A 93 -6.339 -12.387 1.984 1.00 1.11 H new ATOM 0 HG21 VAL A 93 -6.548 -15.301 3.133 1.00 73.52 H new ATOM 0 HG22 VAL A 93 -5.211 -14.835 2.054 1.00 73.52 H new ATOM 0 HG23 VAL A 93 -4.862 -15.522 3.659 1.00 73.52 H new ATOM 1510 N ALA A 94 -3.984 -11.727 5.842 1.00 23.15 N ATOM 1511 CA ALA A 94 -4.069 -10.647 6.842 1.00 15.11 C ATOM 1512 C ALA A 94 -3.059 -9.533 6.578 1.00 70.10 C ATOM 1513 O ALA A 94 -3.415 -8.372 6.698 1.00 35.12 O ATOM 1514 CB ALA A 94 -3.889 -11.201 8.263 1.00 23.23 C ATOM 0 H ALA A 94 -3.820 -12.644 6.257 1.00 23.15 H new ATOM 0 HA ALA A 94 -5.065 -10.214 6.754 1.00 15.11 H new ATOM 0 HB1 ALA A 94 -3.956 -10.385 8.983 1.00 23.23 H new ATOM 0 HB2 ALA A 94 -4.670 -11.932 8.470 1.00 23.23 H new ATOM 0 HB3 ALA A 94 -2.913 -11.679 8.346 1.00 23.23 H new ATOM 1520 N PHE A 95 -1.808 -9.905 6.213 1.00 0.54 N ATOM 1521 CA PHE A 95 -0.759 -8.934 5.843 1.00 52.23 C ATOM 1522 C PHE A 95 -1.277 -8.007 4.737 1.00 71.32 C ATOM 1523 O PHE A 95 -1.419 -6.808 4.953 1.00 24.11 O ATOM 1524 CB PHE A 95 0.542 -9.652 5.374 1.00 61.32 C ATOM 1525 CG PHE A 95 1.679 -8.690 4.963 1.00 61.22 C ATOM 1526 CD1 PHE A 95 2.552 -8.167 5.915 1.00 62.02 C ATOM 1527 CD2 PHE A 95 1.854 -8.300 3.626 1.00 34.54 C ATOM 1528 CE1 PHE A 95 3.559 -7.294 5.548 1.00 31.24 C ATOM 1529 CE2 PHE A 95 2.863 -7.429 3.262 1.00 11.31 C ATOM 1530 CZ PHE A 95 3.716 -6.927 4.224 1.00 24.14 C ATOM 0 H PHE A 95 -1.503 -10.877 6.168 1.00 0.54 H new ATOM 0 HA PHE A 95 -0.515 -8.345 6.727 1.00 52.23 H new ATOM 0 HB2 PHE A 95 0.898 -10.297 6.177 1.00 61.32 H new ATOM 0 HB3 PHE A 95 0.304 -10.298 4.529 1.00 61.32 H new ATOM 0 HD1 PHE A 95 2.440 -8.447 6.952 1.00 62.02 H new ATOM 0 HD2 PHE A 95 1.189 -8.687 2.869 1.00 34.54 H new ATOM 0 HE1 PHE A 95 4.226 -6.897 6.299 1.00 31.24 H new ATOM 0 HE2 PHE A 95 2.984 -7.142 2.228 1.00 11.31 H new ATOM 0 HZ PHE A 95 4.507 -6.247 3.943 1.00 24.14 H new ATOM 1540 N VAL A 96 -1.605 -8.609 3.580 1.00 41.43 N ATOM 1541 CA VAL A 96 -2.023 -7.879 2.368 1.00 43.43 C ATOM 1542 C VAL A 96 -3.250 -6.979 2.636 1.00 72.13 C ATOM 1543 O VAL A 96 -3.200 -5.761 2.431 1.00 53.22 O ATOM 1544 CB VAL A 96 -2.349 -8.883 1.201 1.00 54.05 C ATOM 1545 CG1 VAL A 96 -2.847 -8.140 -0.069 1.00 5.40 C ATOM 1546 CG2 VAL A 96 -1.129 -9.794 0.895 1.00 23.12 C ATOM 0 H VAL A 96 -1.588 -9.622 3.458 1.00 41.43 H new ATOM 0 HA VAL A 96 -1.190 -7.240 2.074 1.00 43.43 H new ATOM 0 HB VAL A 96 -3.165 -9.526 1.532 1.00 54.05 H new ATOM 0 HG11 VAL A 96 -3.062 -8.865 -0.854 1.00 5.40 H new ATOM 0 HG12 VAL A 96 -3.753 -7.582 0.168 1.00 5.40 H new ATOM 0 HG13 VAL A 96 -2.076 -7.451 -0.413 1.00 5.40 H new ATOM 0 HG21 VAL A 96 -1.380 -10.479 0.085 1.00 23.12 H new ATOM 0 HG22 VAL A 96 -0.280 -9.178 0.599 1.00 23.12 H new ATOM 0 HG23 VAL A 96 -0.869 -10.366 1.786 1.00 23.12 H new ATOM 1556 N THR A 97 -4.310 -7.619 3.137 1.00 14.23 N ATOM 1557 CA THR A 97 -5.608 -6.996 3.408 1.00 30.23 C ATOM 1558 C THR A 97 -5.478 -5.798 4.370 1.00 3.11 C ATOM 1559 O THR A 97 -5.957 -4.681 4.066 1.00 62.15 O ATOM 1560 CB THR A 97 -6.598 -8.055 3.987 1.00 33.11 C ATOM 1561 OG1 THR A 97 -6.754 -9.128 3.045 1.00 20.34 O ATOM 1562 CG2 THR A 97 -7.974 -7.457 4.311 1.00 64.30 C ATOM 0 H THR A 97 -4.288 -8.611 3.372 1.00 14.23 H new ATOM 0 HA THR A 97 -6.000 -6.615 2.465 1.00 30.23 H new ATOM 0 HB THR A 97 -6.173 -8.423 4.921 1.00 33.11 H new ATOM 0 HG1 THR A 97 -5.939 -9.672 3.031 1.00 20.34 H new ATOM 0 HG21 THR A 97 -8.624 -8.235 4.710 1.00 64.30 H new ATOM 0 HG22 THR A 97 -7.861 -6.664 5.050 1.00 64.30 H new ATOM 0 HG23 THR A 97 -8.415 -7.046 3.403 1.00 64.30 H new ATOM 1570 N GLN A 98 -4.778 -6.042 5.506 1.00 32.25 N ATOM 1571 CA GLN A 98 -4.577 -5.029 6.548 1.00 63.14 C ATOM 1572 C GLN A 98 -3.771 -3.855 5.987 1.00 22.24 C ATOM 1573 O GLN A 98 -4.135 -2.717 6.204 1.00 22.10 O ATOM 1574 CB GLN A 98 -3.853 -5.628 7.781 1.00 53.22 C ATOM 1575 CG GLN A 98 -3.783 -4.707 9.015 1.00 51.12 C ATOM 1576 CD GLN A 98 -2.958 -5.296 10.168 1.00 73.55 C ATOM 1577 OE1 GLN A 98 -1.981 -6.014 9.953 1.00 63.55 O ATOM 1578 NE2 GLN A 98 -3.349 -5.015 11.397 1.00 34.14 N ATOM 0 H GLN A 98 -4.344 -6.941 5.715 1.00 32.25 H new ATOM 0 HA GLN A 98 -5.556 -4.675 6.870 1.00 63.14 H new ATOM 0 HB2 GLN A 98 -4.358 -6.551 8.065 1.00 53.22 H new ATOM 0 HB3 GLN A 98 -2.837 -5.897 7.490 1.00 53.22 H new ATOM 0 HG2 GLN A 98 -3.352 -3.750 8.721 1.00 51.12 H new ATOM 0 HG3 GLN A 98 -4.795 -4.506 9.367 1.00 51.12 H new ATOM 0 HE21 GLN A 98 -4.162 -4.418 11.550 1.00 34.14 H new ATOM 0 HE22 GLN A 98 -2.839 -5.395 12.194 1.00 34.14 H new ATOM 1587 N LEU A 99 -2.699 -4.156 5.228 1.00 43.11 N ATOM 1588 CA LEU A 99 -1.810 -3.126 4.637 1.00 52.14 C ATOM 1589 C LEU A 99 -2.592 -2.170 3.720 1.00 14.34 C ATOM 1590 O LEU A 99 -2.494 -0.950 3.872 1.00 73.31 O ATOM 1591 CB LEU A 99 -0.637 -3.775 3.835 1.00 23.54 C ATOM 1592 CG LEU A 99 0.558 -4.414 4.650 1.00 21.04 C ATOM 1593 CD1 LEU A 99 1.912 -3.817 4.210 1.00 62.45 C ATOM 1594 CD2 LEU A 99 0.369 -4.306 6.183 1.00 14.15 C ATOM 0 H LEU A 99 -2.423 -5.112 5.006 1.00 43.11 H new ATOM 0 HA LEU A 99 -1.393 -2.556 5.467 1.00 52.14 H new ATOM 0 HB2 LEU A 99 -1.059 -4.552 3.197 1.00 23.54 H new ATOM 0 HB3 LEU A 99 -0.221 -3.013 3.176 1.00 23.54 H new ATOM 0 HG LEU A 99 0.559 -5.478 4.415 1.00 21.04 H new ATOM 0 HD11 LEU A 99 2.716 -4.274 4.787 1.00 62.45 H new ATOM 0 HD12 LEU A 99 2.069 -4.014 3.149 1.00 62.45 H new ATOM 0 HD13 LEU A 99 1.908 -2.741 4.383 1.00 62.45 H new ATOM 0 HD21 LEU A 99 1.221 -4.762 6.688 1.00 14.15 H new ATOM 0 HD22 LEU A 99 0.298 -3.256 6.468 1.00 14.15 H new ATOM 0 HD23 LEU A 99 -0.545 -4.824 6.474 1.00 14.15 H new ATOM 1606 N VAL A 100 -3.353 -2.764 2.772 1.00 3.23 N ATOM 1607 CA VAL A 100 -4.155 -2.014 1.801 1.00 53.02 C ATOM 1608 C VAL A 100 -5.174 -1.117 2.527 1.00 30.04 C ATOM 1609 O VAL A 100 -5.272 0.081 2.241 1.00 13.23 O ATOM 1610 CB VAL A 100 -4.895 -2.985 0.802 1.00 11.40 C ATOM 1611 CG1 VAL A 100 -5.849 -2.218 -0.147 1.00 61.22 C ATOM 1612 CG2 VAL A 100 -3.858 -3.856 0.041 1.00 70.42 C ATOM 0 H VAL A 100 -3.422 -3.776 2.666 1.00 3.23 H new ATOM 0 HA VAL A 100 -3.480 -1.384 1.222 1.00 53.02 H new ATOM 0 HB VAL A 100 -5.532 -3.658 1.376 1.00 11.40 H new ATOM 0 HG11 VAL A 100 -6.339 -2.923 -0.819 1.00 61.22 H new ATOM 0 HG12 VAL A 100 -6.603 -1.693 0.441 1.00 61.22 H new ATOM 0 HG13 VAL A 100 -5.278 -1.497 -0.732 1.00 61.22 H new ATOM 0 HG21 VAL A 100 -4.378 -4.523 -0.646 1.00 70.42 H new ATOM 0 HG22 VAL A 100 -3.183 -3.210 -0.521 1.00 70.42 H new ATOM 0 HG23 VAL A 100 -3.284 -4.446 0.756 1.00 70.42 H new ATOM 1622 N LYS A 101 -5.854 -1.692 3.539 1.00 44.40 N ATOM 1623 CA LYS A 101 -6.916 -0.996 4.277 1.00 62.24 C ATOM 1624 C LYS A 101 -6.339 0.163 5.130 1.00 40.24 C ATOM 1625 O LYS A 101 -6.873 1.274 5.115 1.00 14.21 O ATOM 1626 CB LYS A 101 -7.738 -2.017 5.130 1.00 72.13 C ATOM 1627 CG LYS A 101 -9.250 -1.656 5.287 1.00 42.24 C ATOM 1628 CD LYS A 101 -10.143 -2.916 5.402 1.00 24.32 C ATOM 1629 CE LYS A 101 -10.043 -3.821 4.144 1.00 10.10 C ATOM 1630 NZ LYS A 101 -10.856 -5.049 4.292 1.00 63.41 N ATOM 0 H LYS A 101 -5.681 -2.644 3.862 1.00 44.40 H new ATOM 0 HA LYS A 101 -7.602 -0.540 3.563 1.00 62.24 H new ATOM 0 HB2 LYS A 101 -7.658 -3.003 4.672 1.00 72.13 H new ATOM 0 HB3 LYS A 101 -7.289 -2.089 6.121 1.00 72.13 H new ATOM 0 HG2 LYS A 101 -9.384 -1.036 6.173 1.00 42.24 H new ATOM 0 HG3 LYS A 101 -9.571 -1.062 4.431 1.00 42.24 H new ATOM 0 HD2 LYS A 101 -9.851 -3.487 6.283 1.00 24.32 H new ATOM 0 HD3 LYS A 101 -11.180 -2.613 5.548 1.00 24.32 H new ATOM 0 HE2 LYS A 101 -10.377 -3.266 3.268 1.00 10.10 H new ATOM 0 HE3 LYS A 101 -9.001 -4.092 3.971 1.00 10.10 H new ATOM 0 HZ1 LYS A 101 -10.457 -5.803 3.697 1.00 63.41 H new ATOM 0 HZ2 LYS A 101 -10.849 -5.352 5.287 1.00 63.41 H new ATOM 0 HZ3 LYS A 101 -11.834 -4.856 3.996 1.00 63.41 H new ATOM 1644 N LYS A 102 -5.211 -0.096 5.830 1.00 15.41 N ATOM 1645 CA LYS A 102 -4.526 0.915 6.670 1.00 22.34 C ATOM 1646 C LYS A 102 -4.017 2.072 5.797 1.00 51.13 C ATOM 1647 O LYS A 102 -4.137 3.236 6.179 1.00 34.01 O ATOM 1648 CB LYS A 102 -3.314 0.322 7.446 1.00 53.33 C ATOM 1649 CG LYS A 102 -3.629 -0.762 8.494 1.00 44.13 C ATOM 1650 CD LYS A 102 -4.584 -0.295 9.614 1.00 14.40 C ATOM 1651 CE LYS A 102 -4.727 -1.358 10.722 1.00 74.00 C ATOM 1652 NZ LYS A 102 -5.750 -0.993 11.730 1.00 65.52 N ATOM 0 H LYS A 102 -4.751 -1.007 5.829 1.00 15.41 H new ATOM 0 HA LYS A 102 -5.262 1.267 7.393 1.00 22.34 H new ATOM 0 HB2 LYS A 102 -2.618 -0.098 6.720 1.00 53.33 H new ATOM 0 HB3 LYS A 102 -2.797 1.140 7.947 1.00 53.33 H new ATOM 0 HG2 LYS A 102 -4.070 -1.622 7.990 1.00 44.13 H new ATOM 0 HG3 LYS A 102 -2.695 -1.100 8.944 1.00 44.13 H new ATOM 0 HD2 LYS A 102 -4.211 0.633 10.046 1.00 14.40 H new ATOM 0 HD3 LYS A 102 -5.564 -0.078 9.189 1.00 14.40 H new ATOM 0 HE2 LYS A 102 -4.991 -2.315 10.271 1.00 74.00 H new ATOM 0 HE3 LYS A 102 -3.766 -1.493 11.217 1.00 74.00 H new ATOM 0 HZ1 LYS A 102 -5.807 -1.739 12.452 1.00 65.52 H new ATOM 0 HZ2 LYS A 102 -5.487 -0.094 12.181 1.00 65.52 H new ATOM 0 HZ3 LYS A 102 -6.674 -0.890 11.265 1.00 65.52 H new ATOM 1666 N LEU A 103 -3.460 1.728 4.621 1.00 34.31 N ATOM 1667 CA LEU A 103 -2.923 2.720 3.682 1.00 64.20 C ATOM 1668 C LEU A 103 -4.054 3.579 3.111 1.00 1.50 C ATOM 1669 O LEU A 103 -3.877 4.765 2.931 1.00 73.24 O ATOM 1670 CB LEU A 103 -2.091 2.071 2.547 1.00 13.41 C ATOM 1671 CG LEU A 103 -1.303 3.092 1.653 1.00 61.42 C ATOM 1672 CD1 LEU A 103 -0.344 3.962 2.504 1.00 54.12 C ATOM 1673 CD2 LEU A 103 -0.551 2.380 0.508 1.00 71.30 C ATOM 0 H LEU A 103 -3.372 0.764 4.301 1.00 34.31 H new ATOM 0 HA LEU A 103 -2.241 3.361 4.241 1.00 64.20 H new ATOM 0 HB2 LEU A 103 -1.382 1.371 2.988 1.00 13.41 H new ATOM 0 HB3 LEU A 103 -2.759 1.490 1.911 1.00 13.41 H new ATOM 0 HG LEU A 103 -2.034 3.759 1.196 1.00 61.42 H new ATOM 0 HD11 LEU A 103 0.187 4.659 1.856 1.00 54.12 H new ATOM 0 HD12 LEU A 103 -0.918 4.520 3.243 1.00 54.12 H new ATOM 0 HD13 LEU A 103 0.375 3.320 3.013 1.00 54.12 H new ATOM 0 HD21 LEU A 103 -0.017 3.118 -0.090 1.00 71.30 H new ATOM 0 HD22 LEU A 103 0.161 1.669 0.927 1.00 71.30 H new ATOM 0 HD23 LEU A 103 -1.265 1.850 -0.122 1.00 71.30 H new ATOM 1685 N LEU A 104 -5.228 2.973 2.843 1.00 2.04 N ATOM 1686 CA LEU A 104 -6.436 3.723 2.418 1.00 31.54 C ATOM 1687 C LEU A 104 -6.952 4.640 3.551 1.00 55.14 C ATOM 1688 O LEU A 104 -7.561 5.673 3.278 1.00 43.54 O ATOM 1689 CB LEU A 104 -7.558 2.756 1.923 1.00 41.54 C ATOM 1690 CG LEU A 104 -7.628 2.506 0.383 1.00 31.14 C ATOM 1691 CD1 LEU A 104 -6.340 1.848 -0.167 1.00 55.44 C ATOM 1692 CD2 LEU A 104 -8.896 1.698 0.022 1.00 75.11 C ATOM 0 H LEU A 104 -5.369 1.965 2.912 1.00 2.04 H new ATOM 0 HA LEU A 104 -6.151 4.358 1.579 1.00 31.54 H new ATOM 0 HB2 LEU A 104 -7.425 1.795 2.420 1.00 41.54 H new ATOM 0 HB3 LEU A 104 -8.520 3.153 2.249 1.00 41.54 H new ATOM 0 HG LEU A 104 -7.698 3.477 -0.107 1.00 31.14 H new ATOM 0 HD11 LEU A 104 -6.440 1.696 -1.242 1.00 55.44 H new ATOM 0 HD12 LEU A 104 -5.487 2.497 0.030 1.00 55.44 H new ATOM 0 HD13 LEU A 104 -6.185 0.887 0.323 1.00 55.44 H new ATOM 0 HD21 LEU A 104 -8.928 1.533 -1.055 1.00 75.11 H new ATOM 0 HD22 LEU A 104 -8.873 0.737 0.536 1.00 75.11 H new ATOM 0 HD23 LEU A 104 -9.782 2.254 0.331 1.00 75.11 H new ATOM 1704 N ILE A 105 -6.731 4.247 4.817 1.00 62.42 N ATOM 1705 CA ILE A 105 -7.023 5.131 5.972 1.00 55.35 C ATOM 1706 C ILE A 105 -6.017 6.318 6.009 1.00 0.33 C ATOM 1707 O ILE A 105 -6.397 7.455 6.321 1.00 60.41 O ATOM 1708 CB ILE A 105 -6.990 4.327 7.337 1.00 51.22 C ATOM 1709 CG1 ILE A 105 -8.102 3.224 7.354 1.00 44.20 C ATOM 1710 CG2 ILE A 105 -7.117 5.261 8.573 1.00 4.43 C ATOM 1711 CD1 ILE A 105 -8.044 2.258 8.532 1.00 12.42 C ATOM 0 H ILE A 105 -6.355 3.334 5.071 1.00 62.42 H new ATOM 0 HA ILE A 105 -8.030 5.528 5.848 1.00 55.35 H new ATOM 0 HB ILE A 105 -6.016 3.842 7.403 1.00 51.22 H new ATOM 0 HG12 ILE A 105 -9.076 3.713 7.354 1.00 44.20 H new ATOM 0 HG13 ILE A 105 -8.034 2.649 6.430 1.00 44.20 H new ATOM 0 HG21 ILE A 105 -7.089 4.664 9.485 1.00 4.43 H new ATOM 0 HG22 ILE A 105 -6.290 5.971 8.579 1.00 4.43 H new ATOM 0 HG23 ILE A 105 -8.061 5.804 8.523 1.00 4.43 H new ATOM 0 HD11 ILE A 105 -8.856 1.535 8.450 1.00 12.42 H new ATOM 0 HD12 ILE A 105 -7.089 1.733 8.526 1.00 12.42 H new ATOM 0 HD13 ILE A 105 -8.146 2.814 9.464 1.00 12.42 H new ATOM 1723 N ILE A 106 -4.738 6.030 5.675 1.00 62.45 N ATOM 1724 CA ILE A 106 -3.646 7.033 5.666 1.00 34.34 C ATOM 1725 C ILE A 106 -3.851 8.071 4.540 1.00 71.32 C ATOM 1726 O ILE A 106 -4.015 9.270 4.813 1.00 53.54 O ATOM 1727 CB ILE A 106 -2.238 6.321 5.508 1.00 0.13 C ATOM 1728 CG1 ILE A 106 -1.912 5.472 6.777 1.00 31.13 C ATOM 1729 CG2 ILE A 106 -1.095 7.328 5.194 1.00 60.44 C ATOM 1730 CD1 ILE A 106 -0.638 4.657 6.678 1.00 23.01 C ATOM 0 H ILE A 106 -4.433 5.095 5.404 1.00 62.45 H new ATOM 0 HA ILE A 106 -3.668 7.559 6.620 1.00 34.34 H new ATOM 0 HB ILE A 106 -2.305 5.653 4.649 1.00 0.13 H new ATOM 0 HG12 ILE A 106 -1.835 6.139 7.635 1.00 31.13 H new ATOM 0 HG13 ILE A 106 -2.746 4.797 6.971 1.00 31.13 H new ATOM 0 HG21 ILE A 106 -0.152 6.789 5.096 1.00 60.44 H new ATOM 0 HG22 ILE A 106 -1.315 7.849 4.262 1.00 60.44 H new ATOM 0 HG23 ILE A 106 -1.016 8.053 6.004 1.00 60.44 H new ATOM 0 HD11 ILE A 106 -0.490 4.099 7.603 1.00 23.01 H new ATOM 0 HD12 ILE A 106 -0.715 3.961 5.843 1.00 23.01 H new ATOM 0 HD13 ILE A 106 0.209 5.324 6.517 1.00 23.01 H new ATOM 1742 N ILE A 107 -3.846 7.593 3.280 1.00 73.51 N ATOM 1743 CA ILE A 107 -4.040 8.435 2.089 1.00 10.45 C ATOM 1744 C ILE A 107 -5.540 8.599 1.808 1.00 64.40 C ATOM 1745 O ILE A 107 -6.365 7.934 2.436 1.00 73.20 O ATOM 1746 CB ILE A 107 -3.286 7.847 0.823 1.00 2.10 C ATOM 1747 CG1 ILE A 107 -3.938 6.516 0.306 1.00 42.41 C ATOM 1748 CG2 ILE A 107 -1.779 7.633 1.141 1.00 75.22 C ATOM 1749 CD1 ILE A 107 -3.261 5.905 -0.913 1.00 13.34 C ATOM 0 H ILE A 107 -3.706 6.606 3.062 1.00 73.51 H new ATOM 0 HA ILE A 107 -3.606 9.415 2.290 1.00 10.45 H new ATOM 0 HB ILE A 107 -3.380 8.579 0.021 1.00 2.10 H new ATOM 0 HG12 ILE A 107 -3.928 5.785 1.114 1.00 42.41 H new ATOM 0 HG13 ILE A 107 -4.983 6.710 0.065 1.00 42.41 H new ATOM 0 HG21 ILE A 107 -1.276 7.229 0.263 1.00 75.22 H new ATOM 0 HG22 ILE A 107 -1.326 8.586 1.413 1.00 75.22 H new ATOM 0 HG23 ILE A 107 -1.678 6.933 1.971 1.00 75.22 H new ATOM 0 HD11 ILE A 107 -3.780 4.990 -1.197 1.00 13.34 H new ATOM 0 HD12 ILE A 107 -3.295 6.613 -1.741 1.00 13.34 H new ATOM 0 HD13 ILE A 107 -2.223 5.674 -0.675 1.00 13.34 H new ATOM 1761 N SER A 108 -5.878 9.493 0.873 1.00 13.23 N ATOM 1762 CA SER A 108 -7.270 9.812 0.533 1.00 3.22 C ATOM 1763 C SER A 108 -8.008 8.577 -0.032 1.00 14.14 C ATOM 1764 O SER A 108 -7.725 8.149 -1.148 1.00 4.51 O ATOM 1765 CB SER A 108 -7.298 10.992 -0.471 1.00 24.21 C ATOM 1766 OG SER A 108 -6.623 12.125 0.061 1.00 41.44 O ATOM 0 H SER A 108 -5.193 10.017 0.329 1.00 13.23 H new ATOM 0 HA SER A 108 -7.796 10.108 1.441 1.00 3.22 H new ATOM 0 HB2 SER A 108 -6.828 10.690 -1.407 1.00 24.21 H new ATOM 0 HB3 SER A 108 -8.330 11.254 -0.702 1.00 24.21 H new ATOM 0 HG SER A 108 -6.651 12.858 -0.589 1.00 41.44 H new ATOM 1772 N ARG A 109 -8.882 7.965 0.803 1.00 52.41 N ATOM 1773 CA ARG A 109 -9.864 6.948 0.376 1.00 61.13 C ATOM 1774 C ARG A 109 -11.171 7.666 -0.034 1.00 65.12 C ATOM 1775 O ARG A 109 -11.958 8.066 0.835 1.00 22.01 O ATOM 1776 CB ARG A 109 -10.130 5.937 1.525 1.00 3.13 C ATOM 1777 CG ARG A 109 -11.285 4.931 1.278 1.00 62.24 C ATOM 1778 CD ARG A 109 -11.543 4.024 2.497 1.00 11.24 C ATOM 1779 NE ARG A 109 -12.800 3.254 2.379 1.00 5.12 N ATOM 1780 CZ ARG A 109 -13.192 2.279 3.227 1.00 63.24 C ATOM 1781 NH1 ARG A 109 -12.433 1.931 4.259 1.00 12.13 N ATOM 1782 NH2 ARG A 109 -14.352 1.661 3.044 1.00 23.12 N ATOM 0 H ARG A 109 -8.923 8.168 1.802 1.00 52.41 H new ATOM 0 HA ARG A 109 -9.473 6.389 -0.474 1.00 61.13 H new ATOM 0 HB2 ARG A 109 -9.215 5.374 1.709 1.00 3.13 H new ATOM 0 HB3 ARG A 109 -10.348 6.497 2.434 1.00 3.13 H new ATOM 0 HG2 ARG A 109 -12.196 5.479 1.037 1.00 62.24 H new ATOM 0 HG3 ARG A 109 -11.046 4.313 0.412 1.00 62.24 H new ATOM 0 HD2 ARG A 109 -10.708 3.333 2.614 1.00 11.24 H new ATOM 0 HD3 ARG A 109 -11.579 4.635 3.399 1.00 11.24 H new ATOM 0 HE ARG A 109 -13.417 3.476 1.598 1.00 5.12 H new ATOM 0 HH11 ARG A 109 -11.542 2.402 4.419 1.00 12.13 H new ATOM 0 HH12 ARG A 109 -12.741 1.193 4.892 1.00 12.13 H new ATOM 0 HH21 ARG A 109 -14.951 1.922 2.261 1.00 23.12 H new ATOM 0 HH22 ARG A 109 -14.645 0.925 3.687 1.00 23.12 H new ATOM 1796 N PRO A 110 -11.399 7.903 -1.362 1.00 42.41 N ATOM 1797 CA PRO A 110 -12.592 8.609 -1.858 1.00 11.03 C ATOM 1798 C PRO A 110 -13.671 7.659 -2.428 1.00 40.21 C ATOM 1799 O PRO A 110 -14.746 8.117 -2.837 1.00 60.34 O ATOM 1800 CB PRO A 110 -11.950 9.472 -2.965 1.00 41.33 C ATOM 1801 CG PRO A 110 -10.876 8.588 -3.572 1.00 23.25 C ATOM 1802 CD PRO A 110 -10.505 7.553 -2.509 1.00 54.34 C ATOM 0 HA PRO A 110 -13.135 9.158 -1.089 1.00 11.03 H new ATOM 0 HB2 PRO A 110 -12.686 9.769 -3.712 1.00 41.33 H new ATOM 0 HB3 PRO A 110 -11.524 10.388 -2.555 1.00 41.33 H new ATOM 0 HG2 PRO A 110 -11.241 8.100 -4.476 1.00 23.25 H new ATOM 0 HG3 PRO A 110 -10.005 9.178 -3.858 1.00 23.25 H new ATOM 0 HD2 PRO A 110 -10.680 6.536 -2.860 1.00 54.34 H new ATOM 0 HD3 PRO A 110 -9.452 7.619 -2.233 1.00 54.34 H new ATOM 1810 N ALA A 111 -13.383 6.337 -2.427 1.00 0.23 N ATOM 1811 CA ALA A 111 -14.146 5.352 -3.199 1.00 52.34 C ATOM 1812 C ALA A 111 -13.887 3.923 -2.691 1.00 12.13 C ATOM 1813 O ALA A 111 -12.763 3.415 -2.805 1.00 52.53 O ATOM 1814 CB ALA A 111 -13.758 5.466 -4.682 1.00 14.40 C ATOM 0 H ALA A 111 -12.616 5.933 -1.890 1.00 0.23 H new ATOM 0 HA ALA A 111 -15.209 5.558 -3.077 1.00 52.34 H new ATOM 0 HB1 ALA A 111 -14.322 4.736 -5.263 1.00 14.40 H new ATOM 0 HB2 ALA A 111 -13.986 6.470 -5.042 1.00 14.40 H new ATOM 0 HB3 ALA A 111 -12.691 5.273 -4.795 1.00 14.40 H new ATOM 1820 N ARG A 112 -14.932 3.303 -2.122 1.00 15.02 N ATOM 1821 CA ARG A 112 -14.954 1.881 -1.733 1.00 43.30 C ATOM 1822 C ARG A 112 -16.433 1.438 -1.651 1.00 60.24 C ATOM 1823 O ARG A 112 -16.921 0.778 -2.592 1.00 11.45 O ATOM 1824 CB ARG A 112 -14.174 1.626 -0.383 1.00 11.33 C ATOM 1825 CG ARG A 112 -12.741 1.033 -0.536 1.00 30.11 C ATOM 1826 CD ARG A 112 -12.723 -0.454 -0.980 1.00 5.44 C ATOM 1827 NE ARG A 112 -13.066 -0.651 -2.407 1.00 21.13 N ATOM 1828 CZ ARG A 112 -13.853 -1.630 -2.905 1.00 32.13 C ATOM 1829 NH1 ARG A 112 -14.409 -2.536 -2.110 1.00 62.31 N ATOM 1830 NH2 ARG A 112 -14.053 -1.711 -4.212 1.00 63.31 N ATOM 1831 OXT ARG A 112 -17.113 1.814 -0.677 1.00 38.27 O ATOM 0 H ARG A 112 -15.806 3.786 -1.914 1.00 15.02 H new ATOM 0 HA ARG A 112 -14.434 1.281 -2.480 1.00 43.30 H new ATOM 0 HB2 ARG A 112 -14.102 2.570 0.158 1.00 11.33 H new ATOM 0 HB3 ARG A 112 -14.764 0.949 0.235 1.00 11.33 H new ATOM 0 HG2 ARG A 112 -12.188 1.627 -1.264 1.00 30.11 H new ATOM 0 HG3 ARG A 112 -12.216 1.125 0.415 1.00 30.11 H new ATOM 0 HD2 ARG A 112 -11.732 -0.868 -0.793 1.00 5.44 H new ATOM 0 HD3 ARG A 112 -13.426 -1.017 -0.365 1.00 5.44 H new ATOM 0 HE ARG A 112 -12.673 0.012 -3.074 1.00 21.13 H new ATOM 0 HH11 ARG A 112 -14.245 -2.501 -1.104 1.00 62.31 H new ATOM 0 HH12 ARG A 112 -15.000 -3.267 -2.505 1.00 62.31 H new ATOM 0 HH21 ARG A 112 -13.614 -1.036 -4.838 1.00 63.31 H new ATOM 0 HH22 ARG A 112 -14.646 -2.448 -4.592 1.00 63.31 H new TER 1845 ARG A 112