USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1067 hydrogens (84 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 42 GLN : amide:sc= -0.393 K(o=0.87,f=-3.6!) USER MOD Set 1.2: A 201 GCH O : rot -120:sc= 0.61 USER MOD Set 1.3: A 202 CHO O3 : rot 161:sc= 0.657 USER MOD Set 2.1: A 8 MET CE :methyl -168:sc= -0.361 (180deg=-1.06) USER MOD Set 2.2: A 119 TYR OH : rot -93:sc= 1.14 USER MOD Set 3.1: A 113 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 118 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 101 SER OG : rot 141:sc= 0.00212 USER MOD Set 4.2: A 201 GCH O1 : rot 71:sc= 0.112 USER MOD Set 5.1: A 97 TYR OH : rot -127:sc= 0.849 USER MOD Set 5.2: A 99 GLN : amide:sc= -0.805! C(o=0.58!,f=-7.3!) USER MOD Set 5.3: A 112 SER OG : rot -121:sc= 0.534! USER MOD Set 6.1: A 93 ASN : amide:sc= 0.819 K(o=2.9,f=-0.26) USER MOD Set 6.2: A 98 HIS : no HE2:sc= 0.899 K(o=2.9,f=-4.4!) USER MOD Set 6.3: A 100 THR OG1 : rot 66:sc= 1.16 USER MOD Set 7.1: A 77 LYS NZ :NH3+ 145:sc= 0.207 (180deg=-0.0221) USER MOD Set 7.2: A 202 CHO OT2 : rot -140:sc= 0.202 USER MOD Set 8.1: A 51 GLN : amide:sc= 0.0448! C(o=1.1!,f=-7.1!) USER MOD Set 8.2: A 61 ASN : amide:sc= 0.635 K(o=1.1,f=-9.4) USER MOD Set 8.3: A 202 CHO O7 : rot 5:sc= 0.464 USER MOD Set 9.1: A 52 HIS : no HD1:sc= 2.03 K(o=3.1,f=-7.7!) USER MOD Set 9.2: A 58 THR OG1 : rot -74:sc= 1.11 USER MOD Set10.1: A 38 THR OG1 : rot -162:sc= 1.17 USER MOD Set10.2: A 201 GCH O3 : rot -67:sc= 2.14 USER MOD Set11.1: A 3 THR OG1 : rot -127:sc= 0.0333 USER MOD Set11.2: A 41 GLN : amide:sc= -0.213 X(o=-0.18,f=-0.24) USER MOD Single : A 1 ALA N :NH3+ 137:sc= 0.0177 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -151:sc= 1.3 (180deg=1.12) USER MOD Single : A 10 SER OG : rot 140:sc= 0.596 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0299 K(o=-0.03,f=-0.74) USER MOD Single : A 14 TYR OH : rot 166:sc= 0 USER MOD Single : A 18 MET CE :methyl -163:sc= -0.34 (180deg=-0.808) USER MOD Single : A 19 LYS NZ :NH3+ -177:sc= 0.175 (180deg=0.172) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 139:sc= -0.292 (180deg=-1.94!) USER MOD Single : A 33 ASN : amide:sc= 1.16 K(o=1.2,f=-0.01) USER MOD Single : A 35 LYS NZ :NH3+ -146:sc= 2.47 (180deg=1.57) USER MOD Single : A 45 GLN : amide:sc= 0.0435 X(o=0.044,f=-0.29) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0414 USER MOD Single : A 53 TYR OH : rot 167:sc= 1.28 USER MOD Single : A 54 SER OG : rot -18:sc= 1.28 USER MOD Single : A 57 HIS : no HE2:sc= 0.277 K(o=0.28,f=-2.4!) USER MOD Single : A 59 MET CE :methyl -134:sc= -0.983 (180deg=-4.7!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -84:sc= 0.00555 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.502 K(o=0.5,f=-0.06) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 115:sc= 1.45 USER MOD Single : A 74 MET CE :methyl 167:sc= -0.107 (180deg=-0.493) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 175:sc= 0.0306 (180deg=0.00627) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 85 MET CE :methyl -170:sc=-0.00493 (180deg=-0.142) USER MOD Single : A 89 LYS NZ :NH3+ 170:sc= 1.09 (180deg=1) USER MOD Single : A 96 ASN : amide:sc= -0.0825 X(o=-0.082,f=-0.54) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -140:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -153:sc= 1.29 (180deg=1.18) USER MOD Single : A 201 GCH O4 : rot 137:sc= 0.267 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -23.377 10.867 13.459 1.00 0.66 N ATOM 2 CA ALA A 1 -23.858 11.829 14.548 1.00 0.48 C ATOM 3 C ALA A 1 -23.329 13.171 14.257 1.00 0.53 C ATOM 4 O ALA A 1 -22.172 13.313 13.974 1.00 1.01 O ATOM 5 CB ALA A 1 -23.421 11.312 15.945 1.00 0.50 C ATOM 0 H1 ALA A 1 -23.070 9.974 13.895 1.00 0.66 H new ATOM 0 H2 ALA A 1 -24.154 10.679 12.794 1.00 0.66 H new ATOM 0 H3 ALA A 1 -22.579 11.294 12.947 1.00 0.66 H new ATOM 0 HA ALA A 1 -24.946 11.886 14.559 1.00 0.48 H new ATOM 0 HB1 ALA A 1 -23.768 12.003 16.713 1.00 0.50 H new ATOM 0 HB2 ALA A 1 -23.854 10.327 16.120 1.00 0.50 H new ATOM 0 HB3 ALA A 1 -22.334 11.242 15.983 1.00 0.50 H new ATOM 13 N PHE A 2 -24.186 14.180 14.359 1.00 0.29 N ATOM 14 CA PHE A 2 -23.865 15.582 14.113 1.00 0.26 C ATOM 15 C PHE A 2 -23.603 16.409 15.391 1.00 0.27 C ATOM 16 O PHE A 2 -23.578 17.632 15.320 1.00 0.36 O ATOM 17 CB PHE A 2 -24.978 16.223 13.286 1.00 0.26 C ATOM 18 CG PHE A 2 -25.303 15.709 11.894 1.00 0.25 C ATOM 19 CD1 PHE A 2 -25.918 14.458 11.687 1.00 0.24 C ATOM 20 CD2 PHE A 2 -25.204 16.610 10.818 1.00 0.27 C ATOM 21 CE1 PHE A 2 -26.381 14.106 10.406 1.00 0.25 C ATOM 22 CE2 PHE A 2 -25.712 16.285 9.555 1.00 0.27 C ATOM 23 CZ PHE A 2 -26.288 15.027 9.350 1.00 0.25 C ATOM 0 H PHE A 2 -25.161 14.039 14.625 1.00 0.29 H new ATOM 0 HA PHE A 2 -22.924 15.589 13.564 1.00 0.26 H new ATOM 0 HB2 PHE A 2 -25.893 16.157 13.874 1.00 0.26 H new ATOM 0 HB3 PHE A 2 -24.737 17.282 13.189 1.00 0.26 H new ATOM 0 HD1 PHE A 2 -26.034 13.770 12.511 1.00 0.24 H new ATOM 0 HD2 PHE A 2 -24.728 17.568 10.969 1.00 0.27 H new ATOM 0 HE1 PHE A 2 -26.807 13.129 10.235 1.00 0.25 H new ATOM 0 HE2 PHE A 2 -25.660 16.999 8.746 1.00 0.27 H new ATOM 0 HZ PHE A 2 -26.664 14.762 8.373 1.00 0.25 H new ATOM 33 N THR A 3 -23.571 15.774 16.568 1.00 0.23 N ATOM 34 CA THR A 3 -23.161 16.356 17.841 1.00 0.22 C ATOM 35 C THR A 3 -22.099 17.511 17.787 1.00 0.23 C ATOM 36 O THR A 3 -21.222 17.420 17.000 1.00 0.27 O ATOM 37 CB THR A 3 -22.649 15.257 18.776 1.00 0.26 C ATOM 38 OG1 THR A 3 -23.633 14.280 18.991 1.00 0.27 O ATOM 39 CG2 THR A 3 -22.391 15.905 20.185 1.00 0.27 C ATOM 0 H THR A 3 -23.844 14.795 16.658 1.00 0.23 H new ATOM 0 HA THR A 3 -24.070 16.831 18.210 1.00 0.22 H new ATOM 0 HB THR A 3 -21.759 14.814 18.328 1.00 0.26 H new ATOM 0 HG1 THR A 3 -23.763 14.153 19.954 1.00 0.27 H new ATOM 0 HG21 THR A 3 -22.025 15.144 20.874 1.00 0.27 H new ATOM 0 HG22 THR A 3 -21.648 16.697 20.091 1.00 0.27 H new ATOM 0 HG23 THR A 3 -23.321 16.324 20.569 1.00 0.27 H new ATOM 47 N GLY A 4 -22.239 18.497 18.703 1.00 0.22 N ATOM 48 CA GLY A 4 -21.279 19.528 18.922 1.00 0.25 C ATOM 49 C GLY A 4 -21.884 20.866 18.932 1.00 0.26 C ATOM 50 O GLY A 4 -23.076 21.006 19.208 1.00 0.46 O ATOM 0 H GLY A 4 -23.055 18.572 19.310 1.00 0.22 H new ATOM 0 HA2 GLY A 4 -20.774 19.354 19.872 1.00 0.25 H new ATOM 0 HA3 GLY A 4 -20.518 19.483 18.143 1.00 0.25 H new ATOM 54 N LYS A 5 -21.030 21.884 18.745 1.00 0.24 N ATOM 55 CA LYS A 5 -21.336 23.325 18.761 1.00 0.23 C ATOM 56 C LYS A 5 -21.006 23.893 17.378 1.00 0.20 C ATOM 57 O LYS A 5 -19.872 23.755 16.901 1.00 0.22 O ATOM 58 CB LYS A 5 -20.512 24.038 19.864 1.00 0.30 C ATOM 59 CG LYS A 5 -21.220 25.170 20.640 1.00 0.36 C ATOM 60 CD LYS A 5 -21.964 26.257 19.842 1.00 0.38 C ATOM 61 CE LYS A 5 -21.075 27.188 19.006 1.00 0.41 C ATOM 62 NZ LYS A 5 -20.290 28.141 19.834 1.00 0.73 N ATOM 0 H LYS A 5 -20.041 21.712 18.567 1.00 0.24 H new ATOM 0 HA LYS A 5 -22.390 23.488 18.985 1.00 0.23 H new ATOM 0 HB2 LYS A 5 -20.185 23.287 20.583 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -19.614 24.451 19.404 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -21.937 24.708 21.318 1.00 0.36 H new ATOM 0 HG3 LYS A 5 -20.471 25.667 21.257 1.00 0.36 H new ATOM 0 HD2 LYS A 5 -22.677 25.771 19.177 1.00 0.38 H new ATOM 0 HD3 LYS A 5 -22.541 26.864 20.539 1.00 0.38 H new ATOM 0 HE2 LYS A 5 -20.391 26.587 18.407 1.00 0.41 H new ATOM 0 HE3 LYS A 5 -21.699 27.749 18.310 1.00 0.41 H new ATOM 0 HZ1 LYS A 5 -20.114 29.010 19.291 1.00 0.73 H new ATOM 0 HZ2 LYS A 5 -20.824 28.373 20.696 1.00 0.73 H new ATOM 0 HZ3 LYS A 5 -19.382 27.707 20.096 1.00 0.73 H new ATOM 76 N PHE A 6 -21.944 24.646 16.818 1.00 0.22 N ATOM 77 CA PHE A 6 -21.925 25.131 15.443 1.00 0.25 C ATOM 78 C PHE A 6 -22.270 26.614 15.421 1.00 0.23 C ATOM 79 O PHE A 6 -23.079 27.077 16.227 1.00 0.27 O ATOM 80 CB PHE A 6 -22.934 24.330 14.604 1.00 0.43 C ATOM 81 CG PHE A 6 -22.677 22.843 14.655 1.00 0.28 C ATOM 82 CD1 PHE A 6 -23.231 22.066 15.690 1.00 0.24 C ATOM 83 CD2 PHE A 6 -21.797 22.249 13.734 1.00 0.30 C ATOM 84 CE1 PHE A 6 -22.846 20.730 15.844 1.00 0.26 C ATOM 85 CE2 PHE A 6 -21.454 20.893 13.875 1.00 0.23 C ATOM 86 CZ PHE A 6 -21.938 20.148 14.952 1.00 0.24 C ATOM 0 H PHE A 6 -22.773 24.948 17.330 1.00 0.22 H new ATOM 0 HA PHE A 6 -20.930 24.997 15.018 1.00 0.25 H new ATOM 0 HB2 PHE A 6 -23.943 24.534 14.963 1.00 0.43 H new ATOM 0 HB3 PHE A 6 -22.890 24.668 13.569 1.00 0.43 H new ATOM 0 HD1 PHE A 6 -23.953 22.501 16.365 1.00 0.24 H new ATOM 0 HD2 PHE A 6 -21.386 22.831 12.922 1.00 0.30 H new ATOM 0 HE1 PHE A 6 -23.252 20.144 16.656 1.00 0.26 H new ATOM 0 HE2 PHE A 6 -20.811 20.424 13.145 1.00 0.23 H new ATOM 0 HZ PHE A 6 -21.613 19.128 15.096 1.00 0.24 H new ATOM 96 N GLU A 7 -21.670 27.347 14.493 1.00 0.25 N ATOM 97 CA GLU A 7 -21.914 28.779 14.294 1.00 0.32 C ATOM 98 C GLU A 7 -22.206 29.052 12.828 1.00 0.32 C ATOM 99 O GLU A 7 -21.415 28.650 11.968 1.00 0.37 O ATOM 100 CB GLU A 7 -20.724 29.615 14.808 1.00 0.44 C ATOM 101 CG GLU A 7 -20.544 29.448 16.325 1.00 1.10 C ATOM 102 CD GLU A 7 -19.293 30.103 16.912 1.00 1.18 C ATOM 103 OE1 GLU A 7 -18.455 30.736 16.220 1.00 1.98 O ATOM 104 OE2 GLU A 7 -19.187 29.942 18.155 1.00 1.10 O ATOM 0 H GLU A 7 -20.986 26.961 13.842 1.00 0.25 H new ATOM 0 HA GLU A 7 -22.787 29.078 14.874 1.00 0.32 H new ATOM 0 HB2 GLU A 7 -19.812 29.309 14.295 1.00 0.44 H new ATOM 0 HB3 GLU A 7 -20.885 30.667 14.572 1.00 0.44 H new ATOM 0 HG2 GLU A 7 -21.419 29.862 16.826 1.00 1.10 H new ATOM 0 HG3 GLU A 7 -20.519 28.383 16.556 1.00 1.10 H new ATOM 111 N MET A 8 -23.451 29.468 12.543 1.00 0.37 N ATOM 112 CA MET A 8 -23.894 29.789 11.186 1.00 0.35 C ATOM 113 C MET A 8 -23.245 31.092 10.760 1.00 0.42 C ATOM 114 O MET A 8 -23.315 32.090 11.474 1.00 0.67 O ATOM 115 CB MET A 8 -25.421 29.918 11.106 1.00 0.39 C ATOM 116 CG MET A 8 -25.950 30.210 9.699 1.00 0.51 C ATOM 117 SD MET A 8 -25.650 28.892 8.495 1.00 0.97 S ATOM 118 CE MET A 8 -27.188 29.043 7.554 1.00 0.35 C ATOM 0 H MET A 8 -24.175 29.590 13.251 1.00 0.37 H new ATOM 0 HA MET A 8 -23.598 28.978 10.520 1.00 0.35 H new ATOM 0 HB2 MET A 8 -25.873 28.994 11.468 1.00 0.39 H new ATOM 0 HB3 MET A 8 -25.743 30.715 11.777 1.00 0.39 H new ATOM 0 HG2 MET A 8 -27.023 30.393 9.759 1.00 0.51 H new ATOM 0 HG3 MET A 8 -25.490 31.129 9.335 1.00 0.51 H new ATOM 0 HE1 MET A 8 -27.298 28.181 6.896 1.00 0.35 H new ATOM 0 HE2 MET A 8 -28.033 29.085 8.242 1.00 0.35 H new ATOM 0 HE3 MET A 8 -27.161 29.954 6.956 1.00 0.35 H new ATOM 128 N GLU A 9 -22.612 31.088 9.594 1.00 0.45 N ATOM 129 CA GLU A 9 -21.812 32.248 9.153 1.00 0.55 C ATOM 130 C GLU A 9 -22.316 32.876 7.845 1.00 0.57 C ATOM 131 O GLU A 9 -21.565 33.566 7.150 1.00 1.27 O ATOM 132 CB GLU A 9 -20.309 31.883 9.104 1.00 1.10 C ATOM 133 CG GLU A 9 -19.601 32.042 10.455 1.00 1.63 C ATOM 134 CD GLU A 9 -18.083 32.198 10.260 1.00 2.20 C ATOM 135 OE1 GLU A 9 -17.527 31.667 9.273 1.00 2.75 O ATOM 136 OE2 GLU A 9 -17.467 32.867 11.120 1.00 2.52 O ATOM 0 H GLU A 9 -22.629 30.309 8.936 1.00 0.45 H new ATOM 0 HA GLU A 9 -21.942 33.031 9.900 1.00 0.55 H new ATOM 0 HB2 GLU A 9 -20.204 30.852 8.766 1.00 1.10 H new ATOM 0 HB3 GLU A 9 -19.813 32.513 8.366 1.00 1.10 H new ATOM 0 HG2 GLU A 9 -19.997 32.913 10.978 1.00 1.63 H new ATOM 0 HG3 GLU A 9 -19.805 31.174 11.082 1.00 1.63 H new ATOM 143 N SER A 10 -23.474 32.467 7.286 1.00 0.59 N ATOM 144 CA SER A 10 -23.779 32.772 5.868 1.00 0.94 C ATOM 145 C SER A 10 -25.266 32.799 5.502 1.00 0.68 C ATOM 146 O SER A 10 -25.968 31.816 5.699 1.00 1.26 O ATOM 147 CB SER A 10 -23.033 31.766 4.976 1.00 1.86 C ATOM 148 OG SER A 10 -22.930 32.228 3.640 1.00 2.52 O ATOM 0 H SER A 10 -24.196 31.939 7.776 1.00 0.59 H new ATOM 0 HA SER A 10 -23.439 33.794 5.701 1.00 0.94 H new ATOM 0 HB2 SER A 10 -22.035 31.592 5.379 1.00 1.86 H new ATOM 0 HB3 SER A 10 -23.555 30.809 4.991 1.00 1.86 H new ATOM 0 HG SER A 10 -22.042 32.012 3.287 1.00 2.52 H new ATOM 154 N GLU A 11 -25.691 33.827 4.753 1.00 0.49 N ATOM 155 CA GLU A 11 -27.046 34.013 4.199 1.00 0.37 C ATOM 156 C GLU A 11 -27.190 33.542 2.735 1.00 0.30 C ATOM 157 O GLU A 11 -26.368 33.918 1.895 1.00 0.40 O ATOM 158 CB GLU A 11 -27.404 35.511 4.207 1.00 0.77 C ATOM 159 CG GLU A 11 -27.473 36.172 5.590 1.00 0.96 C ATOM 160 CD GLU A 11 -27.861 37.662 5.514 1.00 1.37 C ATOM 161 OE1 GLU A 11 -27.833 38.243 4.407 1.00 1.92 O ATOM 162 OE2 GLU A 11 -27.966 38.274 6.599 1.00 1.76 O ATOM 0 H GLU A 11 -25.067 34.594 4.502 1.00 0.49 H new ATOM 0 HA GLU A 11 -27.703 33.412 4.828 1.00 0.37 H new ATOM 0 HB2 GLU A 11 -26.668 36.045 3.606 1.00 0.77 H new ATOM 0 HB3 GLU A 11 -28.369 35.638 3.716 1.00 0.77 H new ATOM 0 HG2 GLU A 11 -28.199 35.642 6.207 1.00 0.96 H new ATOM 0 HG3 GLU A 11 -26.506 36.077 6.083 1.00 0.96 H new ATOM 169 N LYS A 12 -28.343 32.956 2.357 1.00 0.24 N ATOM 170 CA LYS A 12 -28.879 32.975 0.987 1.00 0.23 C ATOM 171 C LYS A 12 -30.386 32.643 0.950 1.00 0.18 C ATOM 172 O LYS A 12 -30.823 31.584 1.391 1.00 0.19 O ATOM 173 CB LYS A 12 -28.053 31.965 0.138 1.00 0.32 C ATOM 174 CG LYS A 12 -28.123 32.217 -1.377 1.00 0.41 C ATOM 175 CD LYS A 12 -27.462 33.522 -1.749 1.00 0.53 C ATOM 176 CE LYS A 12 -26.602 33.490 -3.010 1.00 1.24 C ATOM 177 NZ LYS A 12 -27.328 33.012 -4.220 1.00 1.90 N ATOM 0 H LYS A 12 -28.938 32.447 3.011 1.00 0.24 H new ATOM 0 HA LYS A 12 -28.786 33.979 0.573 1.00 0.23 H new ATOM 0 HB2 LYS A 12 -27.011 32.007 0.455 1.00 0.32 H new ATOM 0 HB3 LYS A 12 -28.409 30.956 0.345 1.00 0.32 H new ATOM 0 HG2 LYS A 12 -27.637 31.397 -1.907 1.00 0.41 H new ATOM 0 HG3 LYS A 12 -29.165 32.231 -1.697 1.00 0.41 H new ATOM 0 HD2 LYS A 12 -28.237 34.277 -1.879 1.00 0.53 H new ATOM 0 HD3 LYS A 12 -26.839 33.844 -0.914 1.00 0.53 H new ATOM 0 HE2 LYS A 12 -26.216 34.491 -3.201 1.00 1.24 H new ATOM 0 HE3 LYS A 12 -25.741 32.845 -2.835 1.00 1.24 H new ATOM 0 HZ1 LYS A 12 -26.683 33.017 -5.036 1.00 1.90 H new ATOM 0 HZ2 LYS A 12 -27.674 32.045 -4.058 1.00 1.90 H new ATOM 0 HZ3 LYS A 12 -28.134 33.640 -4.412 1.00 1.90 H new ATOM 191 N ASN A 13 -31.144 33.568 0.347 1.00 0.18 N ATOM 192 CA ASN A 13 -32.614 33.598 0.236 1.00 0.16 C ATOM 193 C ASN A 13 -33.372 33.820 1.569 1.00 0.17 C ATOM 194 O ASN A 13 -34.591 33.804 1.575 1.00 0.19 O ATOM 195 CB ASN A 13 -33.082 32.348 -0.546 1.00 0.16 C ATOM 196 CG ASN A 13 -34.488 32.476 -1.106 1.00 0.18 C ATOM 197 OD1 ASN A 13 -34.849 33.498 -1.658 1.00 0.24 O ATOM 198 ND2 ASN A 13 -35.127 31.369 -1.376 1.00 0.18 N ATOM 0 H ASN A 13 -30.718 34.374 -0.110 1.00 0.18 H new ATOM 0 HA ASN A 13 -32.882 34.493 -0.326 1.00 0.16 H new ATOM 0 HB2 ASN A 13 -32.388 32.161 -1.366 1.00 0.16 H new ATOM 0 HB3 ASN A 13 -33.039 31.480 0.112 1.00 0.16 H new ATOM 0 HD21 ASN A 13 -35.906 31.377 -2.034 1.00 0.18 H new ATOM 0 HD22 ASN A 13 -34.847 30.496 -0.928 1.00 0.18 H new ATOM 205 N TYR A 14 -32.679 34.002 2.702 1.00 0.20 N ATOM 206 CA TYR A 14 -33.234 33.815 4.059 1.00 0.22 C ATOM 207 C TYR A 14 -34.467 34.711 4.326 1.00 0.21 C ATOM 208 O TYR A 14 -35.283 34.358 5.174 1.00 0.24 O ATOM 209 CB TYR A 14 -32.142 34.174 5.083 1.00 0.29 C ATOM 210 CG TYR A 14 -31.905 35.663 5.251 1.00 0.81 C ATOM 211 CD1 TYR A 14 -31.091 36.360 4.339 1.00 1.38 C ATOM 212 CD2 TYR A 14 -32.592 36.369 6.260 1.00 1.82 C ATOM 213 CE1 TYR A 14 -30.933 37.750 4.454 1.00 1.79 C ATOM 214 CE2 TYR A 14 -32.465 37.766 6.353 1.00 2.29 C ATOM 215 CZ TYR A 14 -31.606 38.457 5.469 1.00 1.96 C ATOM 216 OH TYR A 14 -31.398 39.794 5.595 1.00 2.54 O ATOM 0 H TYR A 14 -31.700 34.288 2.706 1.00 0.20 H new ATOM 0 HA TYR A 14 -33.553 32.776 4.148 1.00 0.22 H new ATOM 0 HB2 TYR A 14 -32.414 33.751 6.050 1.00 0.29 H new ATOM 0 HB3 TYR A 14 -31.208 33.702 4.780 1.00 0.29 H new ATOM 0 HD1 TYR A 14 -30.587 35.824 3.549 1.00 1.38 H new ATOM 0 HD2 TYR A 14 -33.216 35.836 6.962 1.00 1.82 H new ATOM 0 HE1 TYR A 14 -30.294 38.279 3.762 1.00 1.79 H new ATOM 0 HE2 TYR A 14 -33.024 38.311 7.100 1.00 2.29 H new ATOM 0 HH TYR A 14 -32.084 40.178 6.180 1.00 2.54 H new ATOM 226 N ASP A 15 -34.555 35.884 3.695 1.00 0.21 N ATOM 227 CA ASP A 15 -35.454 36.927 3.972 1.00 0.25 C ATOM 228 C ASP A 15 -36.824 36.408 3.539 1.00 0.22 C ATOM 229 O ASP A 15 -37.727 36.264 4.361 1.00 0.29 O ATOM 230 CB ASP A 15 -35.031 38.251 3.404 1.00 0.32 C ATOM 231 CG ASP A 15 -34.681 38.198 1.909 1.00 0.88 C ATOM 232 OD1 ASP A 15 -33.539 37.762 1.631 1.00 1.67 O ATOM 233 OD2 ASP A 15 -35.519 38.629 1.052 1.00 0.74 O ATOM 0 H ASP A 15 -33.934 36.114 2.919 1.00 0.21 H new ATOM 0 HA ASP A 15 -35.485 37.175 5.033 1.00 0.25 H new ATOM 0 HB2 ASP A 15 -35.833 38.974 3.555 1.00 0.32 H new ATOM 0 HB3 ASP A 15 -34.166 38.614 3.958 1.00 0.32 H new ATOM 238 N GLU A 16 -37.027 36.133 2.243 1.00 0.18 N ATOM 239 CA GLU A 16 -38.173 35.536 1.704 1.00 0.21 C ATOM 240 C GLU A 16 -38.413 34.119 2.256 1.00 0.20 C ATOM 241 O GLU A 16 -39.580 33.789 2.512 1.00 0.25 O ATOM 242 CB GLU A 16 -38.082 35.604 0.180 1.00 0.26 C ATOM 243 CG GLU A 16 -38.599 36.915 -0.461 1.00 0.30 C ATOM 244 CD GLU A 16 -39.965 37.289 -0.088 1.00 0.64 C ATOM 245 OE1 GLU A 16 -40.946 36.623 -0.530 1.00 0.77 O ATOM 246 OE2 GLU A 16 -40.118 38.255 0.696 1.00 1.00 O ATOM 0 H GLU A 16 -36.329 36.350 1.531 1.00 0.18 H new ATOM 0 HA GLU A 16 -39.060 36.088 2.016 1.00 0.21 H new ATOM 0 HB2 GLU A 16 -37.041 35.464 -0.111 1.00 0.26 H new ATOM 0 HB3 GLU A 16 -38.645 34.769 -0.238 1.00 0.26 H new ATOM 0 HG2 GLU A 16 -37.927 37.727 -0.183 1.00 0.30 H new ATOM 0 HG3 GLU A 16 -38.549 36.816 -1.545 1.00 0.30 H new ATOM 253 N PHE A 17 -37.343 33.383 2.573 1.00 0.16 N ATOM 254 CA PHE A 17 -37.418 31.986 2.970 1.00 0.15 C ATOM 255 C PHE A 17 -37.961 31.844 4.402 1.00 0.16 C ATOM 256 O PHE A 17 -38.997 31.205 4.560 1.00 0.17 O ATOM 257 CB PHE A 17 -36.029 31.363 2.801 1.00 0.00 C ATOM 258 CG PHE A 17 -36.002 29.862 2.923 1.00 0.00 C ATOM 259 CD1 PHE A 17 -36.299 29.091 1.782 1.00 0.00 C ATOM 260 CD2 PHE A 17 -35.679 29.236 4.141 1.00 0.00 C ATOM 261 CE1 PHE A 17 -36.310 27.691 1.867 1.00 0.00 C ATOM 262 CE2 PHE A 17 -35.694 27.833 4.225 1.00 0.00 C ATOM 263 CZ PHE A 17 -36.038 27.069 3.095 1.00 0.00 C ATOM 0 H PHE A 17 -36.392 33.751 2.559 1.00 0.16 H new ATOM 0 HA PHE A 17 -38.122 31.450 2.333 1.00 0.15 H new ATOM 0 HB2 PHE A 17 -35.635 31.643 1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -35.360 31.788 3.549 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -36.518 29.577 0.843 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -35.421 29.830 5.006 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -36.527 27.095 0.993 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -35.442 27.343 5.154 1.00 0.00 H new ATOM 0 HZ PHE A 17 -36.093 25.993 3.173 1.00 0.00 H new ATOM 273 N MET A 18 -37.417 32.501 5.444 1.00 0.18 N ATOM 274 CA MET A 18 -38.050 32.360 6.779 1.00 0.19 C ATOM 275 C MET A 18 -39.510 32.904 6.937 1.00 0.20 C ATOM 276 O MET A 18 -40.347 32.314 7.628 1.00 0.22 O ATOM 277 CB MET A 18 -37.120 33.132 7.804 1.00 0.20 C ATOM 278 CG MET A 18 -35.717 32.644 7.910 1.00 0.39 C ATOM 279 SD MET A 18 -35.080 32.478 9.668 1.00 1.06 S ATOM 280 CE MET A 18 -35.530 30.797 10.139 1.00 0.36 C ATOM 0 H MET A 18 -36.593 33.100 5.403 1.00 0.18 H new ATOM 0 HA MET A 18 -38.143 31.288 6.954 1.00 0.19 H new ATOM 0 HB2 MET A 18 -37.097 34.184 7.521 1.00 0.20 H new ATOM 0 HB3 MET A 18 -37.578 33.077 8.792 1.00 0.20 H new ATOM 0 HG2 MET A 18 -35.645 31.674 7.418 1.00 0.39 H new ATOM 0 HG3 MET A 18 -35.066 33.327 7.364 1.00 0.39 H new ATOM 0 HE1 MET A 18 -35.479 30.697 11.223 1.00 0.36 H new ATOM 0 HE2 MET A 18 -36.544 30.584 9.802 1.00 0.36 H new ATOM 0 HE3 MET A 18 -34.839 30.092 9.677 1.00 0.36 H new ATOM 290 N LYS A 19 -39.915 34.002 6.221 1.00 0.20 N ATOM 291 CA LYS A 19 -41.367 34.303 5.990 1.00 0.23 C ATOM 292 C LYS A 19 -42.233 33.205 5.386 1.00 0.23 C ATOM 293 O LYS A 19 -43.322 32.940 5.916 1.00 0.29 O ATOM 294 CB LYS A 19 -41.461 35.645 5.141 1.00 0.25 C ATOM 295 CG LYS A 19 -41.000 36.798 6.074 1.00 0.32 C ATOM 296 CD LYS A 19 -41.507 38.202 5.691 1.00 0.87 C ATOM 297 CE LYS A 19 -41.066 38.753 4.317 1.00 1.40 C ATOM 298 NZ LYS A 19 -39.596 38.822 4.204 1.00 1.82 N ATOM 0 H LYS A 19 -39.274 34.677 5.804 1.00 0.20 H new ATOM 0 HA LYS A 19 -41.802 34.403 6.984 1.00 0.23 H new ATOM 0 HB2 LYS A 19 -40.828 35.588 4.255 1.00 0.25 H new ATOM 0 HB3 LYS A 19 -42.481 35.812 4.794 1.00 0.25 H new ATOM 0 HG2 LYS A 19 -41.330 36.575 7.089 1.00 0.32 H new ATOM 0 HG3 LYS A 19 -39.910 36.816 6.090 1.00 0.32 H new ATOM 0 HD2 LYS A 19 -42.597 38.188 5.717 1.00 0.87 H new ATOM 0 HD3 LYS A 19 -41.179 38.903 6.459 1.00 0.87 H new ATOM 0 HE2 LYS A 19 -41.463 38.117 3.525 1.00 1.40 H new ATOM 0 HE3 LYS A 19 -41.490 39.747 4.170 1.00 1.40 H new ATOM 0 HZ1 LYS A 19 -39.338 39.244 3.289 1.00 1.82 H new ATOM 0 HZ2 LYS A 19 -39.216 39.407 4.975 1.00 1.82 H new ATOM 0 HZ3 LYS A 19 -39.198 37.864 4.268 1.00 1.82 H new ATOM 312 N LEU A 20 -41.740 32.548 4.336 1.00 0.20 N ATOM 313 CA LEU A 20 -42.388 31.386 3.715 1.00 0.20 C ATOM 314 C LEU A 20 -42.354 30.132 4.614 1.00 0.21 C ATOM 315 O LEU A 20 -43.238 29.282 4.484 1.00 0.25 O ATOM 316 CB LEU A 20 -41.717 31.116 2.352 1.00 0.19 C ATOM 317 CG LEU A 20 -42.294 31.916 1.173 1.00 0.22 C ATOM 318 CD1 LEU A 20 -41.355 31.806 -0.029 1.00 0.21 C ATOM 319 CD2 LEU A 20 -43.656 31.354 0.750 1.00 0.27 C ATOM 0 H LEU A 20 -40.864 32.810 3.883 1.00 0.20 H new ATOM 0 HA LEU A 20 -43.444 31.616 3.571 1.00 0.20 H new ATOM 0 HB2 LEU A 20 -40.654 31.339 2.437 1.00 0.19 H new ATOM 0 HB3 LEU A 20 -41.802 30.053 2.126 1.00 0.19 H new ATOM 0 HG LEU A 20 -42.403 32.953 1.492 1.00 0.22 H new ATOM 0 HD11 LEU A 20 -41.765 32.374 -0.864 1.00 0.21 H new ATOM 0 HD12 LEU A 20 -40.376 32.206 0.236 1.00 0.21 H new ATOM 0 HD13 LEU A 20 -41.253 30.760 -0.317 1.00 0.21 H new ATOM 0 HD21 LEU A 20 -44.046 31.935 -0.086 1.00 0.27 H new ATOM 0 HD22 LEU A 20 -43.542 30.313 0.446 1.00 0.27 H new ATOM 0 HD23 LEU A 20 -44.350 31.413 1.588 1.00 0.27 H new ATOM 331 N LEU A 21 -41.407 30.025 5.552 1.00 0.19 N ATOM 332 CA LEU A 21 -41.386 28.966 6.568 1.00 0.20 C ATOM 333 C LEU A 21 -42.533 29.121 7.571 1.00 0.23 C ATOM 334 O LEU A 21 -43.195 28.129 7.873 1.00 0.25 O ATOM 335 CB LEU A 21 -40.037 28.913 7.321 1.00 0.22 C ATOM 336 CG LEU A 21 -38.816 28.417 6.529 1.00 0.40 C ATOM 337 CD1 LEU A 21 -37.547 28.494 7.391 1.00 1.20 C ATOM 338 CD2 LEU A 21 -39.011 26.988 6.025 1.00 0.80 C ATOM 0 H LEU A 21 -40.626 30.677 5.628 1.00 0.19 H new ATOM 0 HA LEU A 21 -41.516 28.026 6.032 1.00 0.20 H new ATOM 0 HB2 LEU A 21 -39.816 29.914 7.692 1.00 0.22 H new ATOM 0 HB3 LEU A 21 -40.160 28.270 8.192 1.00 0.22 H new ATOM 0 HG LEU A 21 -38.705 29.070 5.663 1.00 0.40 H new ATOM 0 HD11 LEU A 21 -36.693 28.139 6.814 1.00 1.20 H new ATOM 0 HD12 LEU A 21 -37.376 29.527 7.695 1.00 1.20 H new ATOM 0 HD13 LEU A 21 -37.671 27.871 8.277 1.00 1.20 H new ATOM 0 HD21 LEU A 21 -38.127 26.674 5.470 1.00 0.80 H new ATOM 0 HD22 LEU A 21 -39.163 26.321 6.873 1.00 0.80 H new ATOM 0 HD23 LEU A 21 -39.882 26.948 5.371 1.00 0.80 H new ATOM 350 N GLY A 22 -42.768 30.324 8.118 1.00 0.30 N ATOM 351 CA GLY A 22 -43.788 30.484 9.182 1.00 0.36 C ATOM 352 C GLY A 22 -43.339 31.435 10.237 1.00 0.36 C ATOM 353 O GLY A 22 -44.133 31.641 11.182 1.00 0.40 O ATOM 0 H GLY A 22 -42.284 31.182 7.855 1.00 0.30 H new ATOM 0 HA2 GLY A 22 -44.719 30.841 8.743 1.00 0.36 H new ATOM 0 HA3 GLY A 22 -43.999 29.514 9.632 1.00 0.36 H new ATOM 357 N ILE A 23 -42.186 32.118 10.077 1.00 0.34 N ATOM 358 CA ILE A 23 -41.727 33.105 11.100 1.00 0.34 C ATOM 359 C ILE A 23 -41.798 34.492 10.503 1.00 0.33 C ATOM 360 O ILE A 23 -41.256 34.750 9.367 1.00 0.31 O ATOM 361 CB ILE A 23 -40.381 32.907 11.719 1.00 0.30 C ATOM 362 CG1 ILE A 23 -40.029 31.483 12.021 1.00 0.30 C ATOM 363 CG2 ILE A 23 -40.437 33.608 13.101 1.00 0.35 C ATOM 364 CD1 ILE A 23 -39.450 30.749 10.759 1.00 0.38 C ATOM 0 H ILE A 23 -41.564 32.015 9.275 1.00 0.34 H new ATOM 0 HA ILE A 23 -42.411 32.949 11.934 1.00 0.34 H new ATOM 0 HB ILE A 23 -39.648 33.290 11.009 1.00 0.30 H new ATOM 0 HG12 ILE A 23 -39.297 31.452 12.828 1.00 0.30 H new ATOM 0 HG13 ILE A 23 -40.915 30.956 12.374 1.00 0.30 H new ATOM 0 HG21 ILE A 23 -39.477 33.497 13.604 1.00 0.35 H new ATOM 0 HG22 ILE A 23 -40.654 34.667 12.963 1.00 0.35 H new ATOM 0 HG23 ILE A 23 -41.220 33.153 13.708 1.00 0.35 H new ATOM 0 HD11 ILE A 23 -39.206 29.718 11.017 1.00 0.38 H new ATOM 0 HD12 ILE A 23 -40.192 30.757 9.961 1.00 0.38 H new ATOM 0 HD13 ILE A 23 -38.549 31.261 10.422 1.00 0.38 H new ATOM 376 N SER A 24 -42.581 35.365 11.146 1.00 0.36 N ATOM 377 CA SER A 24 -42.876 36.705 10.628 1.00 0.37 C ATOM 378 C SER A 24 -41.723 37.687 10.861 1.00 0.35 C ATOM 379 O SER A 24 -41.245 38.261 9.886 1.00 0.33 O ATOM 380 CB SER A 24 -44.154 37.259 11.258 1.00 0.43 C ATOM 381 OG SER A 24 -45.193 36.295 11.217 1.00 0.71 O ATOM 0 H SER A 24 -43.028 35.162 12.040 1.00 0.36 H new ATOM 0 HA SER A 24 -43.014 36.600 9.552 1.00 0.37 H new ATOM 0 HB2 SER A 24 -43.960 37.548 12.291 1.00 0.43 H new ATOM 0 HB3 SER A 24 -44.466 38.159 10.728 1.00 0.43 H new ATOM 0 HG SER A 24 -46.002 36.668 11.626 1.00 0.71 H new ATOM 387 N SER A 25 -41.213 37.803 12.107 1.00 0.37 N ATOM 388 CA SER A 25 -40.109 38.688 12.332 1.00 0.37 C ATOM 389 C SER A 25 -39.140 38.216 13.395 1.00 0.36 C ATOM 390 O SER A 25 -37.949 38.375 13.218 1.00 0.37 O ATOM 391 CB SER A 25 -40.671 40.045 12.810 1.00 0.42 C ATOM 392 OG SER A 25 -41.413 40.702 11.802 1.00 1.04 O ATOM 0 H SER A 25 -41.551 37.303 12.929 1.00 0.37 H new ATOM 0 HA SER A 25 -39.564 38.744 11.390 1.00 0.37 H new ATOM 0 HB2 SER A 25 -41.307 39.886 13.681 1.00 0.42 H new ATOM 0 HB3 SER A 25 -39.848 40.685 13.128 1.00 0.42 H new ATOM 0 HG SER A 25 -41.751 41.555 12.148 1.00 1.04 H new ATOM 398 N ASP A 26 -39.576 37.506 14.456 1.00 0.40 N ATOM 399 CA ASP A 26 -38.695 37.308 15.625 1.00 0.44 C ATOM 400 C ASP A 26 -37.361 36.589 15.377 1.00 0.40 C ATOM 401 O ASP A 26 -36.347 37.130 15.805 1.00 0.43 O ATOM 402 CB ASP A 26 -39.418 36.779 16.875 1.00 0.49 C ATOM 403 CG ASP A 26 -38.414 36.407 17.984 1.00 0.85 C ATOM 404 OD1 ASP A 26 -37.726 37.337 18.474 1.00 0.94 O ATOM 405 OD2 ASP A 26 -38.094 35.198 18.079 1.00 1.29 O ATOM 0 H ASP A 26 -40.497 37.075 14.529 1.00 0.40 H new ATOM 0 HA ASP A 26 -38.396 38.334 15.837 1.00 0.44 H new ATOM 0 HB2 ASP A 26 -40.110 37.536 17.246 1.00 0.49 H new ATOM 0 HB3 ASP A 26 -40.013 35.905 16.611 1.00 0.49 H new ATOM 410 N VAL A 27 -37.296 35.526 14.552 1.00 0.36 N ATOM 411 CA VAL A 27 -35.985 35.011 14.147 1.00 0.35 C ATOM 412 C VAL A 27 -35.320 35.812 13.018 1.00 0.31 C ATOM 413 O VAL A 27 -34.097 35.859 12.952 1.00 0.31 O ATOM 414 CB VAL A 27 -36.073 33.503 13.861 1.00 0.37 C ATOM 415 CG1 VAL A 27 -36.663 33.267 12.478 1.00 0.46 C ATOM 416 CG2 VAL A 27 -34.704 32.813 13.934 1.00 0.58 C ATOM 0 H VAL A 27 -38.101 35.029 14.170 1.00 0.36 H new ATOM 0 HA VAL A 27 -35.308 35.152 14.989 1.00 0.35 H new ATOM 0 HB VAL A 27 -36.714 33.074 14.631 1.00 0.37 H new ATOM 0 HG11 VAL A 27 -36.721 32.196 12.285 1.00 0.46 H new ATOM 0 HG12 VAL A 27 -37.663 33.699 12.430 1.00 0.46 H new ATOM 0 HG13 VAL A 27 -36.028 33.737 11.727 1.00 0.46 H new ATOM 0 HG21 VAL A 27 -34.821 31.750 13.724 1.00 0.58 H new ATOM 0 HG22 VAL A 27 -34.033 33.256 13.198 1.00 0.58 H new ATOM 0 HG23 VAL A 27 -34.284 32.942 14.932 1.00 0.58 H new ATOM 426 N ILE A 28 -36.093 36.516 12.174 1.00 0.28 N ATOM 427 CA ILE A 28 -35.578 37.160 10.935 1.00 0.26 C ATOM 428 C ILE A 28 -34.675 38.355 11.260 1.00 0.27 C ATOM 429 O ILE A 28 -33.574 38.499 10.731 1.00 0.27 O ATOM 430 CB ILE A 28 -36.729 37.564 9.984 1.00 0.25 C ATOM 431 CG1 ILE A 28 -37.552 36.302 9.640 1.00 0.26 C ATOM 432 CG2 ILE A 28 -36.161 38.234 8.715 1.00 0.24 C ATOM 433 CD1 ILE A 28 -38.525 36.468 8.470 1.00 0.26 C ATOM 0 H ILE A 28 -37.092 36.660 12.323 1.00 0.28 H new ATOM 0 HA ILE A 28 -34.970 36.421 10.413 1.00 0.26 H new ATOM 0 HB ILE A 28 -37.382 38.290 10.469 1.00 0.25 H new ATOM 0 HG12 ILE A 28 -36.864 35.489 9.409 1.00 0.26 H new ATOM 0 HG13 ILE A 28 -38.116 36.002 10.523 1.00 0.26 H new ATOM 0 HG21 ILE A 28 -36.981 38.514 8.053 1.00 0.24 H new ATOM 0 HG22 ILE A 28 -35.600 39.126 8.994 1.00 0.24 H new ATOM 0 HG23 ILE A 28 -35.501 37.536 8.200 1.00 0.24 H new ATOM 0 HD11 ILE A 28 -39.057 35.531 8.303 1.00 0.26 H new ATOM 0 HD12 ILE A 28 -39.242 37.256 8.702 1.00 0.26 H new ATOM 0 HD13 ILE A 28 -37.970 36.735 7.571 1.00 0.26 H new ATOM 445 N GLU A 29 -35.123 39.179 12.202 1.00 0.30 N ATOM 446 CA GLU A 29 -34.430 40.332 12.725 1.00 0.32 C ATOM 447 C GLU A 29 -33.148 39.912 13.355 1.00 0.32 C ATOM 448 O GLU A 29 -32.106 40.578 13.257 1.00 0.36 O ATOM 449 CB GLU A 29 -35.349 41.176 13.653 1.00 0.38 C ATOM 450 CG GLU A 29 -35.768 40.630 15.065 1.00 0.79 C ATOM 451 CD GLU A 29 -36.348 41.618 16.023 1.00 1.14 C ATOM 452 OE1 GLU A 29 -37.516 42.090 15.872 1.00 1.48 O ATOM 453 OE2 GLU A 29 -35.612 41.977 17.008 1.00 1.29 O ATOM 0 H GLU A 29 -36.034 39.044 12.641 1.00 0.30 H new ATOM 0 HA GLU A 29 -34.168 41.002 11.906 1.00 0.32 H new ATOM 0 HB2 GLU A 29 -34.854 42.134 13.812 1.00 0.38 H new ATOM 0 HB3 GLU A 29 -36.266 41.379 13.100 1.00 0.38 H new ATOM 0 HG2 GLU A 29 -36.495 39.831 14.919 1.00 0.79 H new ATOM 0 HG3 GLU A 29 -34.890 40.181 15.530 1.00 0.79 H new ATOM 460 N LYS A 30 -33.101 38.707 13.933 1.00 0.33 N ATOM 461 CA LYS A 30 -31.927 38.142 14.612 1.00 0.37 C ATOM 462 C LYS A 30 -30.946 37.510 13.614 1.00 0.33 C ATOM 463 O LYS A 30 -29.778 37.897 13.593 1.00 0.37 O ATOM 464 CB LYS A 30 -32.416 37.139 15.669 1.00 0.45 C ATOM 465 CG LYS A 30 -33.499 37.694 16.612 1.00 0.52 C ATOM 466 CD LYS A 30 -33.171 38.833 17.585 1.00 0.76 C ATOM 467 CE LYS A 30 -34.334 39.012 18.590 1.00 0.88 C ATOM 468 NZ LYS A 30 -35.659 39.236 17.949 1.00 1.19 N ATOM 0 H LYS A 30 -33.903 38.077 13.942 1.00 0.33 H new ATOM 0 HA LYS A 30 -31.368 38.936 15.108 1.00 0.37 H new ATOM 0 HB2 LYS A 30 -32.808 36.257 15.163 1.00 0.45 H new ATOM 0 HB3 LYS A 30 -31.564 36.812 16.265 1.00 0.45 H new ATOM 0 HG2 LYS A 30 -34.327 38.031 15.989 1.00 0.52 H new ATOM 0 HG3 LYS A 30 -33.868 36.858 17.207 1.00 0.52 H new ATOM 0 HD2 LYS A 30 -32.247 38.613 18.119 1.00 0.76 H new ATOM 0 HD3 LYS A 30 -33.008 39.759 17.034 1.00 0.76 H new ATOM 0 HE2 LYS A 30 -34.393 38.127 19.223 1.00 0.88 H new ATOM 0 HE3 LYS A 30 -34.110 39.856 19.242 1.00 0.88 H new ATOM 0 HZ1 LYS A 30 -36.387 38.698 18.460 1.00 1.19 H new ATOM 0 HZ2 LYS A 30 -35.892 40.249 17.979 1.00 1.19 H new ATOM 0 HZ3 LYS A 30 -35.624 38.918 16.959 1.00 1.19 H new ATOM 482 N ALA A 31 -31.455 36.730 12.655 1.00 0.30 N ATOM 483 CA ALA A 31 -30.615 36.104 11.609 1.00 0.31 C ATOM 484 C ALA A 31 -29.909 37.022 10.713 1.00 0.32 C ATOM 485 O ALA A 31 -28.731 36.880 10.384 1.00 0.40 O ATOM 486 CB ALA A 31 -31.569 35.167 10.852 1.00 0.34 C ATOM 0 H ALA A 31 -32.448 36.512 12.575 1.00 0.30 H new ATOM 0 HA ALA A 31 -29.780 35.584 12.079 1.00 0.31 H new ATOM 0 HB1 ALA A 31 -31.025 34.660 10.055 1.00 0.34 H new ATOM 0 HB2 ALA A 31 -31.975 34.427 11.541 1.00 0.34 H new ATOM 0 HB3 ALA A 31 -32.385 35.748 10.422 1.00 0.34 H new ATOM 492 N ARG A 32 -30.606 38.119 10.352 1.00 0.28 N ATOM 493 CA ARG A 32 -30.071 39.207 9.516 1.00 0.31 C ATOM 494 C ARG A 32 -29.056 40.069 10.260 1.00 0.35 C ATOM 495 O ARG A 32 -28.037 40.395 9.669 1.00 0.43 O ATOM 496 CB ARG A 32 -31.207 40.056 8.916 1.00 0.35 C ATOM 497 CG ARG A 32 -31.822 41.098 9.859 1.00 0.34 C ATOM 498 CD ARG A 32 -33.143 41.659 9.321 1.00 0.45 C ATOM 499 NE ARG A 32 -32.961 42.361 8.036 1.00 1.13 N ATOM 500 CZ ARG A 32 -33.901 42.960 7.327 1.00 1.47 C ATOM 501 NH1 ARG A 32 -35.144 42.989 7.722 1.00 1.06 N ATOM 502 NH2 ARG A 32 -33.611 43.547 6.202 1.00 2.40 N ATOM 0 H ARG A 32 -31.572 38.274 10.639 1.00 0.28 H new ATOM 0 HA ARG A 32 -29.532 38.740 8.692 1.00 0.31 H new ATOM 0 HB2 ARG A 32 -30.826 40.570 8.034 1.00 0.35 H new ATOM 0 HB3 ARG A 32 -31.998 39.386 8.578 1.00 0.35 H new ATOM 0 HG2 ARG A 32 -31.993 40.645 10.836 1.00 0.34 H new ATOM 0 HG3 ARG A 32 -31.115 41.915 10.005 1.00 0.34 H new ATOM 0 HD2 ARG A 32 -33.857 40.846 9.192 1.00 0.45 H new ATOM 0 HD3 ARG A 32 -33.570 42.345 10.052 1.00 0.45 H new ATOM 0 HE ARG A 32 -32.014 42.386 7.657 1.00 1.13 H new ATOM 0 HH11 ARG A 32 -35.411 42.542 8.599 1.00 1.06 H new ATOM 0 HH12 ARG A 32 -35.849 43.459 7.154 1.00 1.06 H new ATOM 0 HH21 ARG A 32 -32.650 43.547 5.860 1.00 2.40 H new ATOM 0 HH22 ARG A 32 -34.345 44.006 5.663 1.00 2.40 H new ATOM 516 N ASN A 33 -29.214 40.299 11.566 1.00 0.35 N ATOM 517 CA ASN A 33 -28.250 41.096 12.329 1.00 0.42 C ATOM 518 C ASN A 33 -26.981 40.333 12.733 1.00 0.38 C ATOM 519 O ASN A 33 -25.898 40.864 12.511 1.00 0.47 O ATOM 520 CB ASN A 33 -28.935 41.782 13.518 1.00 0.53 C ATOM 521 CG ASN A 33 -29.652 43.047 13.088 1.00 0.68 C ATOM 522 OD1 ASN A 33 -29.052 44.050 12.760 1.00 1.09 O ATOM 523 ND2 ASN A 33 -30.956 43.091 13.178 1.00 0.61 N ATOM 0 H ASN A 33 -29.997 39.946 12.116 1.00 0.35 H new ATOM 0 HA ASN A 33 -27.888 41.871 11.654 1.00 0.42 H new ATOM 0 HB2 ASN A 33 -29.648 41.095 13.975 1.00 0.53 H new ATOM 0 HB3 ASN A 33 -28.192 42.023 14.278 1.00 0.53 H new ATOM 0 HD21 ASN A 33 -31.452 43.958 12.974 1.00 0.61 H new ATOM 0 HD22 ASN A 33 -31.477 42.258 13.452 1.00 0.61 H new ATOM 530 N PHE A 34 -27.047 39.079 13.198 1.00 0.35 N ATOM 531 CA PHE A 34 -25.844 38.435 13.770 1.00 0.42 C ATOM 532 C PHE A 34 -25.606 36.947 13.460 1.00 0.46 C ATOM 533 O PHE A 34 -24.516 36.452 13.722 1.00 0.78 O ATOM 534 CB PHE A 34 -25.793 38.703 15.281 1.00 0.00 C ATOM 535 CG PHE A 34 -27.029 38.210 16.006 1.00 0.00 C ATOM 536 CD1 PHE A 34 -27.179 36.825 16.136 1.00 0.00 C ATOM 537 CD2 PHE A 34 -28.026 39.068 16.503 1.00 0.00 C ATOM 538 CE1 PHE A 34 -28.312 36.271 16.735 1.00 0.00 C ATOM 539 CE2 PHE A 34 -29.146 38.518 17.158 1.00 0.00 C ATOM 540 CZ PHE A 34 -29.279 37.123 17.283 1.00 0.00 C ATOM 0 H PHE A 34 -27.887 38.501 13.194 1.00 0.35 H new ATOM 0 HA PHE A 34 -25.015 38.909 13.245 1.00 0.42 H new ATOM 0 HB2 PHE A 34 -24.912 38.218 15.702 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -25.680 39.773 15.452 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -26.403 36.171 15.766 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -27.934 40.138 16.384 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -28.441 35.199 16.775 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -29.905 39.170 17.565 1.00 0.00 H new ATOM 0 HZ PHE A 34 -30.130 36.708 17.803 1.00 0.00 H new ATOM 550 N LYS A 35 -26.589 36.278 12.837 1.00 0.33 N ATOM 551 CA LYS A 35 -26.637 34.838 12.515 1.00 0.36 C ATOM 552 C LYS A 35 -26.752 33.861 13.707 1.00 0.37 C ATOM 553 O LYS A 35 -26.213 34.080 14.791 1.00 0.53 O ATOM 554 CB LYS A 35 -25.553 34.437 11.489 1.00 0.58 C ATOM 555 CG LYS A 35 -25.626 35.164 10.128 1.00 1.15 C ATOM 556 CD LYS A 35 -24.856 36.494 10.018 1.00 1.36 C ATOM 557 CE LYS A 35 -25.279 37.277 8.764 1.00 1.90 C ATOM 558 NZ LYS A 35 -26.634 37.867 8.897 1.00 2.56 N ATOM 0 H LYS A 35 -27.431 36.760 12.522 1.00 0.33 H new ATOM 0 HA LYS A 35 -27.608 34.715 12.036 1.00 0.36 H new ATOM 0 HB2 LYS A 35 -24.574 34.624 11.929 1.00 0.58 H new ATOM 0 HB3 LYS A 35 -25.624 33.364 11.312 1.00 0.58 H new ATOM 0 HG2 LYS A 35 -25.251 34.488 9.359 1.00 1.15 H new ATOM 0 HG3 LYS A 35 -26.674 35.357 9.900 1.00 1.15 H new ATOM 0 HD2 LYS A 35 -25.039 37.098 10.907 1.00 1.36 H new ATOM 0 HD3 LYS A 35 -23.785 36.296 9.982 1.00 1.36 H new ATOM 0 HE2 LYS A 35 -24.557 38.071 8.574 1.00 1.90 H new ATOM 0 HE3 LYS A 35 -25.258 36.613 7.900 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 -27.107 37.863 7.971 1.00 2.56 H new ATOM 0 HZ2 LYS A 35 -27.192 37.307 9.573 1.00 2.56 H new ATOM 0 HZ3 LYS A 35 -26.554 38.845 9.241 1.00 2.56 H new ATOM 572 N ILE A 36 -27.666 32.894 13.605 1.00 0.35 N ATOM 573 CA ILE A 36 -28.002 31.970 14.708 1.00 0.35 C ATOM 574 C ILE A 36 -26.877 30.931 14.974 1.00 0.34 C ATOM 575 O ILE A 36 -26.123 30.555 14.094 1.00 0.43 O ATOM 576 CB ILE A 36 -29.414 31.375 14.458 1.00 0.37 C ATOM 577 CG1 ILE A 36 -30.490 32.440 14.116 1.00 0.44 C ATOM 578 CG2 ILE A 36 -29.898 30.521 15.646 1.00 0.36 C ATOM 579 CD1 ILE A 36 -30.713 33.549 15.153 1.00 0.41 C ATOM 0 H ILE A 36 -28.201 32.723 12.753 1.00 0.35 H new ATOM 0 HA ILE A 36 -28.055 32.516 15.650 1.00 0.35 H new ATOM 0 HB ILE A 36 -29.293 30.740 13.581 1.00 0.37 H new ATOM 0 HG12 ILE A 36 -30.218 32.908 13.170 1.00 0.44 H new ATOM 0 HG13 ILE A 36 -31.438 31.927 13.956 1.00 0.44 H new ATOM 0 HG21 ILE A 36 -30.890 30.124 15.429 1.00 0.36 H new ATOM 0 HG22 ILE A 36 -29.204 29.696 15.807 1.00 0.36 H new ATOM 0 HG23 ILE A 36 -29.943 31.138 16.543 1.00 0.36 H new ATOM 0 HD11 ILE A 36 -31.488 34.229 14.798 1.00 0.41 H new ATOM 0 HD12 ILE A 36 -31.025 33.106 16.099 1.00 0.41 H new ATOM 0 HD13 ILE A 36 -29.785 34.102 15.300 1.00 0.41 H new ATOM 591 N VAL A 37 -26.750 30.433 16.213 1.00 0.30 N ATOM 592 CA VAL A 37 -25.762 29.397 16.597 1.00 0.27 C ATOM 593 C VAL A 37 -26.414 28.187 17.271 1.00 0.25 C ATOM 594 O VAL A 37 -27.400 28.358 17.986 1.00 0.31 O ATOM 595 CB VAL A 37 -24.553 29.981 17.366 1.00 0.30 C ATOM 596 CG1 VAL A 37 -24.023 31.284 16.748 1.00 0.83 C ATOM 597 CG2 VAL A 37 -24.839 30.249 18.849 1.00 0.85 C ATOM 0 H VAL A 37 -27.335 30.738 16.991 1.00 0.30 H new ATOM 0 HA VAL A 37 -25.338 29.007 15.672 1.00 0.27 H new ATOM 0 HB VAL A 37 -23.798 29.199 17.284 1.00 0.30 H new ATOM 0 HG11 VAL A 37 -23.176 31.645 17.331 1.00 0.83 H new ATOM 0 HG12 VAL A 37 -23.704 31.097 15.722 1.00 0.83 H new ATOM 0 HG13 VAL A 37 -24.812 32.036 16.751 1.00 0.83 H new ATOM 0 HG21 VAL A 37 -23.947 30.657 19.324 1.00 0.85 H new ATOM 0 HG22 VAL A 37 -25.657 30.964 18.938 1.00 0.85 H new ATOM 0 HG23 VAL A 37 -25.117 29.316 19.340 1.00 0.85 H new ATOM 607 N THR A 38 -25.869 26.975 17.092 1.00 0.25 N ATOM 608 CA THR A 38 -26.574 25.738 17.458 1.00 0.25 C ATOM 609 C THR A 38 -25.694 24.672 18.153 1.00 0.23 C ATOM 610 O THR A 38 -24.556 24.429 17.844 1.00 0.24 O ATOM 611 CB THR A 38 -27.242 25.170 16.266 1.00 0.29 C ATOM 612 OG1 THR A 38 -28.311 25.968 15.791 1.00 0.39 O ATOM 613 CG2 THR A 38 -27.946 23.797 16.468 1.00 0.28 C ATOM 0 H THR A 38 -24.941 26.825 16.696 1.00 0.25 H new ATOM 0 HA THR A 38 -27.312 26.024 18.207 1.00 0.25 H new ATOM 0 HB THR A 38 -26.390 25.097 15.590 1.00 0.29 H new ATOM 0 HG1 THR A 38 -28.889 25.429 15.212 1.00 0.39 H new ATOM 0 HG21 THR A 38 -28.400 23.479 15.529 1.00 0.28 H new ATOM 0 HG22 THR A 38 -27.213 23.056 16.786 1.00 0.28 H new ATOM 0 HG23 THR A 38 -28.719 23.893 17.231 1.00 0.28 H new ATOM 621 N GLU A 39 -26.280 24.061 19.139 1.00 0.22 N ATOM 622 CA GLU A 39 -25.764 22.935 19.928 1.00 0.20 C ATOM 623 C GLU A 39 -26.541 21.646 19.704 1.00 0.18 C ATOM 624 O GLU A 39 -27.752 21.630 19.738 1.00 0.20 O ATOM 625 CB GLU A 39 -25.867 23.201 21.389 1.00 0.24 C ATOM 626 CG GLU A 39 -24.628 24.006 21.868 1.00 0.56 C ATOM 627 CD GLU A 39 -24.573 24.407 23.323 1.00 0.99 C ATOM 628 OE1 GLU A 39 -25.686 24.463 23.886 1.00 1.41 O ATOM 629 OE2 GLU A 39 -23.557 24.945 23.834 1.00 1.41 O ATOM 0 H GLU A 39 -27.208 24.345 19.454 1.00 0.22 H new ATOM 0 HA GLU A 39 -24.731 22.826 19.598 1.00 0.20 H new ATOM 0 HB2 GLU A 39 -26.779 23.759 21.603 1.00 0.24 H new ATOM 0 HB3 GLU A 39 -25.934 22.260 21.935 1.00 0.24 H new ATOM 0 HG2 GLU A 39 -23.739 23.415 21.649 1.00 0.56 H new ATOM 0 HG3 GLU A 39 -24.564 24.913 21.267 1.00 0.56 H new ATOM 636 N VAL A 40 -25.828 20.570 19.467 1.00 0.17 N ATOM 637 CA VAL A 40 -26.390 19.322 18.998 1.00 0.18 C ATOM 638 C VAL A 40 -25.976 18.260 19.964 1.00 0.19 C ATOM 639 O VAL A 40 -24.791 18.185 20.284 1.00 0.20 O ATOM 640 CB VAL A 40 -25.867 18.989 17.599 1.00 0.17 C ATOM 641 CG1 VAL A 40 -26.510 17.715 17.045 1.00 0.19 C ATOM 642 CG2 VAL A 40 -26.085 20.155 16.642 1.00 0.19 C ATOM 0 H VAL A 40 -24.817 20.536 19.598 1.00 0.17 H new ATOM 0 HA VAL A 40 -27.476 19.393 18.937 1.00 0.18 H new ATOM 0 HB VAL A 40 -24.795 18.811 17.688 1.00 0.17 H new ATOM 0 HG11 VAL A 40 -26.114 17.511 16.050 1.00 0.19 H new ATOM 0 HG12 VAL A 40 -26.284 16.877 17.705 1.00 0.19 H new ATOM 0 HG13 VAL A 40 -27.590 17.849 16.985 1.00 0.19 H new ATOM 0 HG21 VAL A 40 -25.704 19.892 15.655 1.00 0.19 H new ATOM 0 HG22 VAL A 40 -27.150 20.375 16.573 1.00 0.19 H new ATOM 0 HG23 VAL A 40 -25.556 21.033 17.012 1.00 0.19 H new ATOM 652 N GLN A 41 -26.861 17.314 20.219 1.00 0.22 N ATOM 653 CA GLN A 41 -26.405 16.030 20.833 1.00 0.27 C ATOM 654 C GLN A 41 -27.260 14.994 20.223 1.00 0.27 C ATOM 655 O GLN A 41 -28.469 15.168 20.060 1.00 0.31 O ATOM 656 CB GLN A 41 -26.639 16.097 22.304 1.00 0.41 C ATOM 657 CG GLN A 41 -26.199 14.888 23.093 1.00 0.37 C ATOM 658 CD GLN A 41 -24.721 14.586 22.848 1.00 1.30 C ATOM 659 OE1 GLN A 41 -24.336 13.667 22.139 1.00 2.15 O ATOM 660 NE2 GLN A 41 -23.826 15.430 23.432 1.00 2.00 N ATOM 0 H GLN A 41 -27.861 17.379 20.030 1.00 0.22 H new ATOM 0 HA GLN A 41 -25.347 15.825 20.668 1.00 0.27 H new ATOM 0 HB2 GLN A 41 -26.121 16.972 22.696 1.00 0.41 H new ATOM 0 HB3 GLN A 41 -27.704 16.253 22.477 1.00 0.41 H new ATOM 0 HG2 GLN A 41 -26.368 15.061 24.156 1.00 0.37 H new ATOM 0 HG3 GLN A 41 -26.802 14.025 22.811 1.00 0.37 H new ATOM 0 HE21 GLN A 41 -24.156 16.194 24.022 1.00 2.00 H new ATOM 0 HE22 GLN A 41 -22.826 15.298 23.279 1.00 2.00 H new ATOM 669 N GLN A 42 -26.685 13.866 19.804 1.00 0.27 N ATOM 670 CA GLN A 42 -27.407 12.802 19.090 1.00 0.30 C ATOM 671 C GLN A 42 -26.876 11.431 19.484 1.00 0.33 C ATOM 672 O GLN A 42 -25.667 11.215 19.373 1.00 0.42 O ATOM 673 CB GLN A 42 -27.261 12.974 17.570 1.00 0.43 C ATOM 674 CG GLN A 42 -27.969 14.219 17.019 1.00 0.51 C ATOM 675 CD GLN A 42 -27.646 14.493 15.557 1.00 0.77 C ATOM 676 OE1 GLN A 42 -26.894 13.788 14.895 1.00 1.16 O ATOM 677 NE2 GLN A 42 -28.104 15.605 15.027 1.00 0.73 N ATOM 0 H GLN A 42 -25.697 13.660 19.950 1.00 0.27 H new ATOM 0 HA GLN A 42 -28.459 12.876 19.366 1.00 0.30 H new ATOM 0 HB2 GLN A 42 -26.202 13.029 17.320 1.00 0.43 H new ATOM 0 HB3 GLN A 42 -27.661 12.090 17.073 1.00 0.43 H new ATOM 0 HG2 GLN A 42 -29.046 14.096 17.130 1.00 0.51 H new ATOM 0 HG3 GLN A 42 -27.684 15.085 17.616 1.00 0.51 H new ATOM 0 HE21 GLN A 42 -28.731 16.205 15.563 1.00 0.73 H new ATOM 0 HE22 GLN A 42 -27.832 15.868 14.080 1.00 0.73 H new ATOM 686 N ASP A 43 -27.783 10.473 19.672 1.00 0.31 N ATOM 687 CA ASP A 43 -27.430 9.056 19.824 1.00 0.36 C ATOM 688 C ASP A 43 -28.413 8.156 19.073 1.00 0.37 C ATOM 689 O ASP A 43 -29.622 8.187 19.279 1.00 0.38 O ATOM 690 CB ASP A 43 -27.282 8.647 21.294 1.00 0.43 C ATOM 691 CG ASP A 43 -26.857 7.184 21.456 1.00 0.97 C ATOM 692 OD1 ASP A 43 -26.292 6.644 20.473 1.00 1.01 O ATOM 693 OD2 ASP A 43 -26.793 6.747 22.624 1.00 1.68 O ATOM 0 H ASP A 43 -28.785 10.655 19.724 1.00 0.31 H new ATOM 0 HA ASP A 43 -26.449 8.919 19.369 1.00 0.36 H new ATOM 0 HB2 ASP A 43 -26.546 9.291 21.775 1.00 0.43 H new ATOM 0 HB3 ASP A 43 -28.229 8.806 21.809 1.00 0.43 H new ATOM 698 N GLY A 44 -27.901 7.375 18.114 1.00 0.43 N ATOM 699 CA GLY A 44 -28.706 6.487 17.267 1.00 0.50 C ATOM 700 C GLY A 44 -29.884 7.184 16.564 1.00 0.60 C ATOM 701 O GLY A 44 -29.697 7.940 15.608 1.00 1.24 O ATOM 0 H GLY A 44 -26.904 7.342 17.902 1.00 0.43 H new ATOM 0 HA2 GLY A 44 -28.060 6.039 16.512 1.00 0.50 H new ATOM 0 HA3 GLY A 44 -29.093 5.672 17.879 1.00 0.50 H new ATOM 705 N GLN A 45 -31.101 6.756 16.920 1.00 0.34 N ATOM 706 CA GLN A 45 -32.392 7.211 16.361 1.00 0.30 C ATOM 707 C GLN A 45 -32.920 8.334 17.263 1.00 0.29 C ATOM 708 O GLN A 45 -33.976 8.810 16.916 1.00 0.32 O ATOM 709 CB GLN A 45 -33.378 5.975 16.363 1.00 0.31 C ATOM 710 CG GLN A 45 -34.562 6.000 15.357 1.00 0.32 C ATOM 711 CD GLN A 45 -35.561 4.909 15.552 1.00 0.76 C ATOM 712 OE1 GLN A 45 -35.464 3.996 16.388 1.00 1.37 O ATOM 713 NE2 GLN A 45 -36.656 4.958 14.719 1.00 1.02 N ATOM 0 H GLN A 45 -31.225 6.047 17.642 1.00 0.34 H new ATOM 0 HA GLN A 45 -32.292 7.587 15.343 1.00 0.30 H new ATOM 0 HB2 GLN A 45 -32.792 5.077 16.170 1.00 0.31 H new ATOM 0 HB3 GLN A 45 -33.791 5.876 17.367 1.00 0.31 H new ATOM 0 HG2 GLN A 45 -35.071 6.960 15.438 1.00 0.32 H new ATOM 0 HG3 GLN A 45 -34.164 5.934 14.344 1.00 0.32 H new ATOM 0 HE21 GLN A 45 -36.740 5.706 14.031 1.00 1.02 H new ATOM 0 HE22 GLN A 45 -37.383 4.246 14.790 1.00 1.02 H new ATOM 722 N ASP A 46 -32.268 8.803 18.331 1.00 0.30 N ATOM 723 CA ASP A 46 -32.680 9.940 19.177 1.00 0.34 C ATOM 724 C ASP A 46 -31.887 11.251 18.968 1.00 0.35 C ATOM 725 O ASP A 46 -30.652 11.281 18.929 1.00 0.49 O ATOM 726 CB ASP A 46 -32.821 9.560 20.663 1.00 0.40 C ATOM 727 CG ASP A 46 -34.111 8.815 21.042 1.00 1.10 C ATOM 728 OD1 ASP A 46 -34.902 8.472 20.135 1.00 1.18 O ATOM 729 OD2 ASP A 46 -34.431 8.847 22.251 1.00 1.85 O ATOM 0 H ASP A 46 -31.395 8.383 18.649 1.00 0.30 H new ATOM 0 HA ASP A 46 -33.678 10.181 18.812 1.00 0.34 H new ATOM 0 HB2 ASP A 46 -31.970 8.939 20.942 1.00 0.40 H new ATOM 0 HB3 ASP A 46 -32.761 10.471 21.259 1.00 0.40 H new ATOM 734 N PHE A 47 -32.606 12.372 18.812 1.00 0.26 N ATOM 735 CA PHE A 47 -32.056 13.633 18.427 1.00 0.26 C ATOM 736 C PHE A 47 -32.415 14.730 19.294 1.00 0.19 C ATOM 737 O PHE A 47 -33.489 14.719 19.937 1.00 0.21 O ATOM 738 CB PHE A 47 -32.462 14.050 16.985 1.00 0.31 C ATOM 739 CG PHE A 47 -31.765 13.171 15.925 1.00 1.56 C ATOM 740 CD1 PHE A 47 -31.991 11.790 15.877 1.00 2.65 C ATOM 741 CD2 PHE A 47 -30.793 13.685 15.033 1.00 1.72 C ATOM 742 CE1 PHE A 47 -31.284 10.972 14.915 1.00 3.87 C ATOM 743 CE2 PHE A 47 -30.071 12.877 14.169 1.00 2.93 C ATOM 744 CZ PHE A 47 -30.302 11.522 14.111 1.00 3.99 C ATOM 0 H PHE A 47 -33.615 12.403 18.960 1.00 0.26 H new ATOM 0 HA PHE A 47 -30.982 13.459 18.496 1.00 0.26 H new ATOM 0 HB2 PHE A 47 -33.543 13.969 16.872 1.00 0.31 H new ATOM 0 HB3 PHE A 47 -32.202 15.096 16.821 1.00 0.31 H new ATOM 0 HD1 PHE A 47 -32.694 11.335 16.559 1.00 2.65 H new ATOM 0 HD2 PHE A 47 -30.607 14.749 15.026 1.00 1.72 H new ATOM 0 HE1 PHE A 47 -31.525 9.923 14.824 1.00 3.87 H new ATOM 0 HE2 PHE A 47 -29.317 13.317 13.533 1.00 2.93 H new ATOM 0 HZ PHE A 47 -29.724 10.896 13.447 1.00 3.99 H new ATOM 754 N THR A 48 -31.445 15.675 19.298 1.00 0.22 N ATOM 755 CA THR A 48 -31.696 17.004 19.856 1.00 0.23 C ATOM 756 C THR A 48 -30.880 18.000 19.021 1.00 0.21 C ATOM 757 O THR A 48 -29.652 17.879 18.784 1.00 0.21 O ATOM 758 CB THR A 48 -31.195 17.234 21.273 1.00 0.25 C ATOM 759 OG1 THR A 48 -31.776 16.281 22.195 1.00 0.27 O ATOM 760 CG2 THR A 48 -31.678 18.624 21.856 1.00 0.29 C ATOM 0 H THR A 48 -30.505 15.537 18.927 1.00 0.22 H new ATOM 0 HA THR A 48 -32.780 17.117 19.849 1.00 0.23 H new ATOM 0 HB THR A 48 -30.110 17.162 21.196 1.00 0.25 H new ATOM 0 HG1 THR A 48 -31.436 16.450 23.098 1.00 0.27 H new ATOM 0 HG21 THR A 48 -31.297 18.746 22.870 1.00 0.29 H new ATOM 0 HG22 THR A 48 -31.303 19.432 21.228 1.00 0.29 H new ATOM 0 HG23 THR A 48 -32.767 18.653 21.872 1.00 0.29 H new ATOM 768 N TRP A 49 -31.518 19.072 18.594 1.00 0.23 N ATOM 769 CA TRP A 49 -30.892 20.264 18.022 1.00 0.24 C ATOM 770 C TRP A 49 -31.325 21.445 18.886 1.00 0.25 C ATOM 771 O TRP A 49 -32.514 21.552 19.162 1.00 0.29 O ATOM 772 CB TRP A 49 -31.283 20.306 16.526 1.00 0.29 C ATOM 773 CG TRP A 49 -31.237 21.571 15.717 1.00 0.26 C ATOM 774 CD1 TRP A 49 -31.632 22.796 16.129 1.00 0.29 C ATOM 775 CD2 TRP A 49 -31.146 21.679 14.254 1.00 0.23 C ATOM 776 NE1 TRP A 49 -31.705 23.651 15.054 1.00 0.29 N ATOM 777 CE2 TRP A 49 -31.491 23.005 13.875 1.00 0.25 C ATOM 778 CE3 TRP A 49 -30.911 20.779 13.196 1.00 0.22 C ATOM 779 CZ2 TRP A 49 -31.611 23.427 12.546 1.00 0.24 C ATOM 780 CZ3 TRP A 49 -31.045 21.182 11.848 1.00 0.21 C ATOM 781 CH2 TRP A 49 -31.401 22.499 11.518 1.00 0.22 C ATOM 0 H TRP A 49 -32.534 19.146 18.635 1.00 0.23 H new ATOM 0 HA TRP A 49 -29.802 20.280 18.033 1.00 0.24 H new ATOM 0 HB2 TRP A 49 -30.644 19.586 16.016 1.00 0.29 H new ATOM 0 HB3 TRP A 49 -32.304 19.930 16.459 1.00 0.29 H new ATOM 0 HD1 TRP A 49 -31.857 23.064 17.151 1.00 0.29 H new ATOM 0 HE1 TRP A 49 -31.897 24.650 15.131 1.00 0.29 H new ATOM 0 HE3 TRP A 49 -30.623 19.762 13.419 1.00 0.22 H new ATOM 0 HZ2 TRP A 49 -31.862 24.452 12.317 1.00 0.24 H new ATOM 0 HZ3 TRP A 49 -30.871 20.465 11.059 1.00 0.21 H new ATOM 0 HH2 TRP A 49 -31.512 22.793 10.485 1.00 0.22 H new ATOM 792 N SER A 50 -30.432 22.309 19.374 1.00 0.23 N ATOM 793 CA SER A 50 -30.840 23.404 20.225 1.00 0.25 C ATOM 794 C SER A 50 -30.180 24.687 19.702 1.00 0.26 C ATOM 795 O SER A 50 -28.977 24.705 19.652 1.00 0.32 O ATOM 796 CB SER A 50 -30.385 23.352 21.741 1.00 0.26 C ATOM 797 OG SER A 50 -31.021 22.295 22.374 1.00 1.22 O ATOM 0 H SER A 50 -29.430 22.264 19.190 1.00 0.23 H new ATOM 0 HA SER A 50 -31.928 23.354 20.195 1.00 0.25 H new ATOM 0 HB2 SER A 50 -29.304 23.231 21.804 1.00 0.26 H new ATOM 0 HB3 SER A 50 -30.631 24.290 22.239 1.00 0.26 H new ATOM 0 HG SER A 50 -30.740 22.259 23.312 1.00 1.22 H new ATOM 803 N GLN A 51 -30.994 25.614 19.135 1.00 0.26 N ATOM 804 CA GLN A 51 -30.585 26.905 18.760 1.00 0.27 C ATOM 805 C GLN A 51 -30.425 27.875 19.848 1.00 0.28 C ATOM 806 O GLN A 51 -31.082 27.881 20.904 1.00 0.31 O ATOM 807 CB GLN A 51 -31.512 27.576 17.708 1.00 0.35 C ATOM 808 CG GLN A 51 -31.895 26.694 16.513 1.00 0.53 C ATOM 809 CD GLN A 51 -33.085 25.748 16.735 1.00 0.69 C ATOM 810 OE1 GLN A 51 -33.336 25.151 17.754 1.00 1.50 O ATOM 811 NE2 GLN A 51 -33.904 25.572 15.623 1.00 0.53 N ATOM 0 H GLN A 51 -31.978 25.433 18.938 1.00 0.26 H new ATOM 0 HA GLN A 51 -29.603 26.685 18.341 1.00 0.27 H new ATOM 0 HB2 GLN A 51 -32.425 27.900 18.207 1.00 0.35 H new ATOM 0 HB3 GLN A 51 -31.019 28.473 17.333 1.00 0.35 H new ATOM 0 HG2 GLN A 51 -32.123 27.341 15.666 1.00 0.53 H new ATOM 0 HG3 GLN A 51 -31.027 26.097 16.234 1.00 0.53 H new ATOM 0 HE21 GLN A 51 -33.702 26.071 14.757 1.00 0.53 H new ATOM 0 HE22 GLN A 51 -34.706 24.944 15.675 1.00 0.53 H new ATOM 820 N HIS A 52 -29.541 28.842 19.615 1.00 0.36 N ATOM 821 CA HIS A 52 -29.271 29.995 20.468 1.00 0.39 C ATOM 822 C HIS A 52 -29.122 31.226 19.560 1.00 0.41 C ATOM 823 O HIS A 52 -28.185 31.315 18.775 1.00 0.45 O ATOM 824 CB HIS A 52 -28.005 29.719 21.311 1.00 0.41 C ATOM 825 CG HIS A 52 -27.980 28.417 22.097 1.00 0.85 C ATOM 826 ND1 HIS A 52 -28.814 28.061 23.149 1.00 1.08 N ATOM 827 CD2 HIS A 52 -26.964 27.495 22.065 1.00 1.97 C ATOM 828 CE1 HIS A 52 -28.322 26.938 23.716 1.00 1.53 C ATOM 829 NE2 HIS A 52 -27.201 26.574 23.071 1.00 2.21 N ATOM 0 H HIS A 52 -28.960 28.841 18.776 1.00 0.36 H new ATOM 0 HA HIS A 52 -30.084 30.182 21.169 1.00 0.39 H new ATOM 0 HB2 HIS A 52 -27.143 29.731 20.644 1.00 0.41 H new ATOM 0 HB3 HIS A 52 -27.877 30.543 22.013 1.00 0.41 H new ATOM 0 HD2 HIS A 52 -26.130 27.489 21.379 1.00 1.97 H new ATOM 0 HE1 HIS A 52 -28.760 26.416 24.554 1.00 1.53 H new ATOM 0 HE2 HIS A 52 -26.625 25.760 23.285 1.00 2.21 H new ATOM 837 N TYR A 53 -29.958 32.241 19.770 1.00 0.42 N ATOM 838 CA TYR A 53 -29.922 33.556 19.110 1.00 0.45 C ATOM 839 C TYR A 53 -28.668 34.427 19.377 1.00 0.57 C ATOM 840 O TYR A 53 -28.767 35.317 20.215 1.00 0.67 O ATOM 841 CB TYR A 53 -31.211 34.323 19.476 1.00 0.52 C ATOM 842 CG TYR A 53 -32.555 33.977 18.849 1.00 0.55 C ATOM 843 CD1 TYR A 53 -32.823 32.727 18.252 1.00 0.53 C ATOM 844 CD2 TYR A 53 -33.585 34.929 18.954 1.00 0.67 C ATOM 845 CE1 TYR A 53 -34.118 32.458 17.748 1.00 0.62 C ATOM 846 CE2 TYR A 53 -34.877 34.655 18.470 1.00 0.75 C ATOM 847 CZ TYR A 53 -35.148 33.419 17.858 1.00 0.72 C ATOM 848 OH TYR A 53 -36.398 33.151 17.402 1.00 0.84 O ATOM 0 H TYR A 53 -30.723 32.170 20.441 1.00 0.42 H new ATOM 0 HA TYR A 53 -29.859 33.350 18.041 1.00 0.45 H new ATOM 0 HB2 TYR A 53 -31.335 34.235 20.555 1.00 0.52 H new ATOM 0 HB3 TYR A 53 -31.024 35.375 19.261 1.00 0.52 H new ATOM 0 HD1 TYR A 53 -32.046 31.981 18.180 1.00 0.53 H new ATOM 0 HD2 TYR A 53 -33.381 35.885 19.413 1.00 0.67 H new ATOM 0 HE1 TYR A 53 -34.321 31.509 17.275 1.00 0.62 H new ATOM 0 HE2 TYR A 53 -35.659 35.393 18.568 1.00 0.75 H new ATOM 0 HH TYR A 53 -37.022 33.827 17.740 1.00 0.84 H new ATOM 858 N SER A 54 -27.466 34.026 18.938 1.00 0.99 N ATOM 859 CA SER A 54 -26.130 34.452 19.449 1.00 1.16 C ATOM 860 C SER A 54 -25.879 34.158 20.938 1.00 1.53 C ATOM 861 O SER A 54 -24.858 34.550 21.485 1.00 2.11 O ATOM 862 CB SER A 54 -25.785 35.922 19.146 1.00 1.49 C ATOM 863 OG SER A 54 -26.584 36.823 19.886 1.00 2.57 O ATOM 0 H SER A 54 -27.382 33.357 18.173 1.00 0.99 H new ATOM 0 HA SER A 54 -25.454 33.816 18.878 1.00 1.16 H new ATOM 0 HB2 SER A 54 -24.734 36.101 19.373 1.00 1.49 H new ATOM 0 HB3 SER A 54 -25.918 36.112 18.081 1.00 1.49 H new ATOM 0 HG SER A 54 -27.375 36.355 20.226 1.00 2.57 H new ATOM 869 N GLY A 55 -26.785 33.411 21.581 1.00 1.89 N ATOM 870 CA GLY A 55 -26.812 33.321 23.052 1.00 2.45 C ATOM 871 C GLY A 55 -27.870 34.196 23.708 1.00 1.85 C ATOM 872 O GLY A 55 -28.014 34.174 24.958 1.00 2.24 O ATOM 0 H GLY A 55 -27.506 32.862 21.112 1.00 1.89 H new ATOM 0 HA2 GLY A 55 -26.985 32.284 23.339 1.00 2.45 H new ATOM 0 HA3 GLY A 55 -25.833 33.600 23.441 1.00 2.45 H new ATOM 876 N GLY A 56 -28.685 35.017 22.985 1.00 1.21 N ATOM 877 CA GLY A 56 -29.654 35.860 23.618 1.00 1.54 C ATOM 878 C GLY A 56 -30.911 35.133 23.905 1.00 1.32 C ATOM 879 O GLY A 56 -31.566 35.572 24.844 1.00 1.56 O ATOM 0 H GLY A 56 -28.664 35.088 21.968 1.00 1.21 H new ATOM 0 HA2 GLY A 56 -29.242 36.254 24.547 1.00 1.54 H new ATOM 0 HA3 GLY A 56 -29.867 36.715 22.976 1.00 1.54 H new ATOM 883 N HIS A 57 -31.231 33.974 23.351 1.00 0.94 N ATOM 884 CA HIS A 57 -32.583 33.402 23.448 1.00 0.81 C ATOM 885 C HIS A 57 -32.482 31.996 22.913 1.00 0.66 C ATOM 886 O HIS A 57 -31.904 31.777 21.808 1.00 0.63 O ATOM 887 CB HIS A 57 -33.718 34.093 22.542 1.00 0.85 C ATOM 888 CG HIS A 57 -35.180 33.711 22.818 1.00 0.92 C ATOM 889 ND1 HIS A 57 -35.588 32.429 22.805 1.00 0.89 N ATOM 890 CD2 HIS A 57 -36.183 34.412 23.340 1.00 1.08 C ATOM 891 CE1 HIS A 57 -36.847 32.354 23.176 1.00 1.05 C ATOM 892 NE2 HIS A 57 -37.225 33.535 23.543 1.00 1.17 N ATOM 0 H HIS A 57 -30.573 33.400 22.823 1.00 0.94 H new ATOM 0 HA HIS A 57 -32.880 33.523 24.490 1.00 0.81 H new ATOM 0 HB2 HIS A 57 -33.626 35.173 22.655 1.00 0.85 H new ATOM 0 HB3 HIS A 57 -33.502 33.862 21.499 1.00 0.85 H new ATOM 0 HD1 HIS A 57 -35.006 31.632 22.545 1.00 0.89 H new ATOM 0 HD2 HIS A 57 -36.180 35.469 23.562 1.00 1.08 H new ATOM 0 HE1 HIS A 57 -37.458 31.463 23.175 1.00 1.05 H new ATOM 900 N THR A 58 -32.855 30.979 23.690 1.00 0.61 N ATOM 901 CA THR A 58 -32.710 29.562 23.271 1.00 0.54 C ATOM 902 C THR A 58 -33.994 29.088 22.580 1.00 0.53 C ATOM 903 O THR A 58 -35.061 29.646 22.833 1.00 0.64 O ATOM 904 CB THR A 58 -32.341 28.698 24.490 1.00 0.61 C ATOM 905 OG1 THR A 58 -31.014 29.023 24.847 1.00 0.73 O ATOM 906 CG2 THR A 58 -32.360 27.188 24.274 1.00 0.60 C ATOM 0 H THR A 58 -33.262 31.098 24.618 1.00 0.61 H new ATOM 0 HA THR A 58 -31.902 29.465 22.546 1.00 0.54 H new ATOM 0 HB THR A 58 -33.100 28.917 25.241 1.00 0.61 H new ATOM 0 HG1 THR A 58 -30.395 28.635 24.193 1.00 0.73 H new ATOM 0 HG21 THR A 58 -32.084 26.684 25.200 1.00 0.60 H new ATOM 0 HG22 THR A 58 -33.361 26.876 23.976 1.00 0.60 H new ATOM 0 HG23 THR A 58 -31.649 26.923 23.491 1.00 0.60 H new ATOM 914 N MET A 59 -33.865 28.107 21.682 1.00 0.47 N ATOM 915 CA MET A 59 -34.947 27.356 21.007 1.00 0.53 C ATOM 916 C MET A 59 -34.400 25.885 20.965 1.00 0.45 C ATOM 917 O MET A 59 -33.238 25.604 21.102 1.00 0.52 O ATOM 918 CB MET A 59 -35.245 27.890 19.682 1.00 0.70 C ATOM 919 CG MET A 59 -35.874 29.253 19.746 1.00 0.68 C ATOM 920 SD MET A 59 -37.037 29.640 18.316 1.00 1.13 S ATOM 921 CE MET A 59 -35.902 29.133 16.966 1.00 0.46 C ATOM 0 H MET A 59 -32.943 27.789 21.382 1.00 0.47 H new ATOM 0 HA MET A 59 -35.901 27.425 21.529 1.00 0.53 H new ATOM 0 HB2 MET A 59 -34.326 27.943 19.099 1.00 0.70 H new ATOM 0 HB3 MET A 59 -35.915 27.207 19.159 1.00 0.70 H new ATOM 0 HG2 MET A 59 -36.426 29.342 20.682 1.00 0.68 H new ATOM 0 HG3 MET A 59 -35.084 30.004 19.770 1.00 0.68 H new ATOM 0 HE1 MET A 59 -35.905 29.892 16.184 1.00 0.46 H new ATOM 0 HE2 MET A 59 -34.892 29.024 17.361 1.00 0.46 H new ATOM 0 HE3 MET A 59 -36.233 28.182 16.550 1.00 0.46 H new ATOM 931 N THR A 60 -35.298 24.909 20.883 1.00 0.42 N ATOM 932 CA THR A 60 -35.023 23.556 21.231 1.00 0.40 C ATOM 933 C THR A 60 -35.848 22.710 20.225 1.00 0.38 C ATOM 934 O THR A 60 -37.066 22.638 20.222 1.00 0.49 O ATOM 935 CB THR A 60 -35.280 23.116 22.660 1.00 0.54 C ATOM 936 OG1 THR A 60 -36.474 23.605 23.118 1.00 0.68 O ATOM 937 CG2 THR A 60 -34.162 23.595 23.546 1.00 0.53 C ATOM 0 H THR A 60 -36.255 25.060 20.563 1.00 0.42 H new ATOM 0 HA THR A 60 -33.944 23.417 21.172 1.00 0.40 H new ATOM 0 HB THR A 60 -35.325 22.027 22.681 1.00 0.54 H new ATOM 0 HG1 THR A 60 -36.618 23.306 24.040 1.00 0.68 H new ATOM 0 HG21 THR A 60 -34.349 23.278 24.572 1.00 0.53 H new ATOM 0 HG22 THR A 60 -33.218 23.172 23.202 1.00 0.53 H new ATOM 0 HG23 THR A 60 -34.108 24.683 23.507 1.00 0.53 H new ATOM 945 N ASN A 61 -35.176 21.923 19.397 1.00 0.30 N ATOM 946 CA ASN A 61 -35.761 21.039 18.388 1.00 0.29 C ATOM 947 C ASN A 61 -35.344 19.583 18.649 1.00 0.30 C ATOM 948 O ASN A 61 -34.348 19.104 18.108 1.00 0.52 O ATOM 949 CB ASN A 61 -35.391 21.554 16.979 1.00 0.32 C ATOM 950 CG ASN A 61 -35.942 22.918 16.573 1.00 0.45 C ATOM 951 OD1 ASN A 61 -35.632 23.432 15.514 1.00 0.84 O ATOM 952 ND2 ASN A 61 -36.752 23.595 17.353 1.00 0.47 N ATOM 0 H ASN A 61 -34.157 21.878 19.408 1.00 0.30 H new ATOM 0 HA ASN A 61 -36.849 21.051 18.451 1.00 0.29 H new ATOM 0 HB2 ASN A 61 -34.304 21.593 16.907 1.00 0.32 H new ATOM 0 HB3 ASN A 61 -35.733 20.820 16.249 1.00 0.32 H new ATOM 0 HD21 ASN A 61 -37.093 24.511 17.062 1.00 0.47 H new ATOM 0 HD22 ASN A 61 -37.040 23.205 18.250 1.00 0.47 H new ATOM 959 N LYS A 62 -36.047 18.894 19.559 1.00 0.29 N ATOM 960 CA LYS A 62 -35.758 17.468 19.888 1.00 0.29 C ATOM 961 C LYS A 62 -36.836 16.530 19.379 1.00 0.29 C ATOM 962 O LYS A 62 -38.004 16.867 19.524 1.00 0.39 O ATOM 963 CB LYS A 62 -35.453 17.231 21.375 1.00 0.28 C ATOM 964 CG LYS A 62 -36.323 18.004 22.375 1.00 0.31 C ATOM 965 CD LYS A 62 -35.817 17.719 23.794 1.00 0.43 C ATOM 966 CE LYS A 62 -36.610 18.530 24.825 1.00 0.46 C ATOM 967 NZ LYS A 62 -36.100 18.291 26.198 1.00 0.83 N ATOM 0 H LYS A 62 -36.824 19.291 20.088 1.00 0.29 H new ATOM 0 HA LYS A 62 -34.839 17.229 19.352 1.00 0.29 H new ATOM 0 HB2 LYS A 62 -35.558 16.166 21.581 1.00 0.28 H new ATOM 0 HB3 LYS A 62 -34.410 17.490 21.557 1.00 0.28 H new ATOM 0 HG2 LYS A 62 -36.279 19.073 22.166 1.00 0.31 H new ATOM 0 HG3 LYS A 62 -37.366 17.703 22.279 1.00 0.31 H new ATOM 0 HD2 LYS A 62 -35.910 16.655 24.012 1.00 0.43 H new ATOM 0 HD3 LYS A 62 -34.758 17.968 23.865 1.00 0.43 H new ATOM 0 HE2 LYS A 62 -36.542 19.592 24.588 1.00 0.46 H new ATOM 0 HE3 LYS A 62 -37.664 18.259 24.773 1.00 0.46 H new ATOM 0 HZ1 LYS A 62 -36.654 18.852 26.877 1.00 0.83 H new ATOM 0 HZ2 LYS A 62 -36.188 17.281 26.430 1.00 0.83 H new ATOM 0 HZ3 LYS A 62 -35.100 18.573 26.251 1.00 0.83 H new ATOM 981 N PHE A 63 -36.454 15.398 18.790 1.00 0.27 N ATOM 982 CA PHE A 63 -37.338 14.543 17.992 1.00 0.25 C ATOM 983 C PHE A 63 -36.670 13.159 17.848 1.00 0.22 C ATOM 984 O PHE A 63 -35.489 12.996 18.136 1.00 0.22 O ATOM 985 CB PHE A 63 -37.518 15.201 16.605 1.00 0.30 C ATOM 986 CG PHE A 63 -36.290 15.135 15.719 1.00 0.30 C ATOM 987 CD1 PHE A 63 -35.234 16.049 15.894 1.00 0.53 C ATOM 988 CD2 PHE A 63 -36.166 14.102 14.773 1.00 0.34 C ATOM 989 CE1 PHE A 63 -34.048 15.890 15.159 1.00 0.58 C ATOM 990 CE2 PHE A 63 -34.973 13.928 14.055 1.00 0.40 C ATOM 991 CZ PHE A 63 -33.905 14.809 14.266 1.00 0.42 C ATOM 0 H PHE A 63 -35.501 15.040 18.854 1.00 0.27 H new ATOM 0 HA PHE A 63 -38.313 14.424 18.465 1.00 0.25 H new ATOM 0 HB2 PHE A 63 -38.349 14.717 16.091 1.00 0.30 H new ATOM 0 HB3 PHE A 63 -37.795 16.246 16.745 1.00 0.30 H new ATOM 0 HD1 PHE A 63 -35.335 16.869 16.590 1.00 0.53 H new ATOM 0 HD2 PHE A 63 -36.998 13.436 14.597 1.00 0.34 H new ATOM 0 HE1 PHE A 63 -33.242 16.599 15.279 1.00 0.58 H new ATOM 0 HE2 PHE A 63 -34.879 13.120 13.344 1.00 0.40 H new ATOM 0 HZ PHE A 63 -32.971 14.660 13.744 1.00 0.42 H new ATOM 1001 N THR A 64 -37.406 12.205 17.266 1.00 0.21 N ATOM 1002 CA THR A 64 -36.951 10.906 16.888 1.00 0.19 C ATOM 1003 C THR A 64 -36.990 10.825 15.374 1.00 0.18 C ATOM 1004 O THR A 64 -38.000 11.227 14.777 1.00 0.21 O ATOM 1005 CB THR A 64 -37.754 9.808 17.548 1.00 0.22 C ATOM 1006 OG1 THR A 64 -37.684 9.916 18.988 1.00 0.29 O ATOM 1007 CG2 THR A 64 -37.118 8.457 17.179 1.00 0.21 C ATOM 0 H THR A 64 -38.391 12.350 17.043 1.00 0.21 H new ATOM 0 HA THR A 64 -35.929 10.754 17.235 1.00 0.19 H new ATOM 0 HB THR A 64 -38.789 9.889 17.215 1.00 0.22 H new ATOM 0 HG1 THR A 64 -36.872 9.473 19.310 1.00 0.29 H new ATOM 0 HG21 THR A 64 -37.682 7.650 17.645 1.00 0.21 H new ATOM 0 HG22 THR A 64 -37.133 8.332 16.096 1.00 0.21 H new ATOM 0 HG23 THR A 64 -36.088 8.431 17.533 1.00 0.21 H new ATOM 1015 N VAL A 65 -35.891 10.383 14.751 1.00 0.18 N ATOM 1016 CA VAL A 65 -35.849 10.148 13.298 1.00 0.19 C ATOM 1017 C VAL A 65 -36.739 8.966 12.921 1.00 0.18 C ATOM 1018 O VAL A 65 -36.807 7.959 13.628 1.00 0.25 O ATOM 1019 CB VAL A 65 -34.413 10.010 12.753 1.00 0.28 C ATOM 1020 CG1 VAL A 65 -33.670 8.788 13.286 1.00 0.60 C ATOM 1021 CG2 VAL A 65 -34.400 9.911 11.224 1.00 0.86 C ATOM 0 H VAL A 65 -35.014 10.179 15.231 1.00 0.18 H new ATOM 0 HA VAL A 65 -36.252 11.036 12.811 1.00 0.19 H new ATOM 0 HB VAL A 65 -33.906 10.912 13.096 1.00 0.28 H new ATOM 0 HG11 VAL A 65 -32.668 8.757 12.859 1.00 0.60 H new ATOM 0 HG12 VAL A 65 -33.600 8.850 14.372 1.00 0.60 H new ATOM 0 HG13 VAL A 65 -34.211 7.883 13.008 1.00 0.60 H new ATOM 0 HG21 VAL A 65 -33.372 9.815 10.874 1.00 0.86 H new ATOM 0 HG22 VAL A 65 -34.973 9.038 10.911 1.00 0.86 H new ATOM 0 HG23 VAL A 65 -34.846 10.810 10.797 1.00 0.86 H new ATOM 1031 N GLY A 66 -37.494 9.006 11.818 1.00 0.16 N ATOM 1032 CA GLY A 66 -38.376 7.891 11.392 1.00 0.19 C ATOM 1033 C GLY A 66 -39.703 7.763 12.166 1.00 0.20 C ATOM 1034 O GLY A 66 -40.374 6.736 12.115 1.00 0.26 O ATOM 0 H GLY A 66 -37.518 9.808 11.189 1.00 0.16 H new ATOM 0 HA2 GLY A 66 -38.603 8.015 10.333 1.00 0.19 H new ATOM 0 HA3 GLY A 66 -37.825 6.956 11.493 1.00 0.19 H new ATOM 1038 N LYS A 67 -40.055 8.808 12.915 1.00 0.18 N ATOM 1039 CA LYS A 67 -41.218 8.989 13.705 1.00 0.20 C ATOM 1040 C LYS A 67 -41.857 10.295 13.276 1.00 0.21 C ATOM 1041 O LYS A 67 -41.238 11.101 12.616 1.00 0.41 O ATOM 1042 CB LYS A 67 -40.914 8.889 15.208 1.00 0.35 C ATOM 1043 CG LYS A 67 -42.056 8.814 16.245 1.00 0.36 C ATOM 1044 CD LYS A 67 -41.639 8.747 17.706 1.00 0.65 C ATOM 1045 CE LYS A 67 -40.873 7.542 18.208 1.00 0.84 C ATOM 1046 NZ LYS A 67 -41.532 6.247 17.959 1.00 1.54 N ATOM 0 H LYS A 67 -39.447 9.625 12.971 1.00 0.18 H new ATOM 0 HA LYS A 67 -41.935 8.185 13.539 1.00 0.20 H new ATOM 0 HB2 LYS A 67 -40.294 8.004 15.351 1.00 0.35 H new ATOM 0 HB3 LYS A 67 -40.302 9.752 15.469 1.00 0.35 H new ATOM 0 HG2 LYS A 67 -42.696 9.686 16.112 1.00 0.36 H new ATOM 0 HG3 LYS A 67 -42.663 7.936 16.022 1.00 0.36 H new ATOM 0 HD2 LYS A 67 -41.033 9.629 17.913 1.00 0.65 H new ATOM 0 HD3 LYS A 67 -42.544 8.833 18.308 1.00 0.65 H new ATOM 0 HE2 LYS A 67 -39.890 7.531 17.737 1.00 0.84 H new ATOM 0 HE3 LYS A 67 -40.711 7.652 19.280 1.00 0.84 H new ATOM 0 HZ1 LYS A 67 -40.940 5.478 18.334 1.00 1.54 H new ATOM 0 HZ2 LYS A 67 -42.459 6.232 18.431 1.00 1.54 H new ATOM 0 HZ3 LYS A 67 -41.663 6.115 16.936 1.00 1.54 H new ATOM 1060 N GLU A 68 -43.128 10.555 13.652 1.00 0.20 N ATOM 1061 CA GLU A 68 -43.933 11.796 13.403 1.00 0.23 C ATOM 1062 C GLU A 68 -44.135 12.691 14.674 1.00 0.29 C ATOM 1063 O GLU A 68 -43.813 12.251 15.776 1.00 0.38 O ATOM 1064 CB GLU A 68 -45.282 11.417 12.706 1.00 0.28 C ATOM 1065 CG GLU A 68 -46.396 12.493 12.731 1.00 0.36 C ATOM 1066 CD GLU A 68 -47.656 12.270 11.877 1.00 0.49 C ATOM 1067 OE1 GLU A 68 -47.626 11.564 10.829 1.00 0.57 O ATOM 1068 OE2 GLU A 68 -48.706 12.833 12.292 1.00 0.62 O ATOM 0 H GLU A 68 -43.666 9.863 14.174 1.00 0.20 H new ATOM 0 HA GLU A 68 -43.356 12.429 12.728 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -45.071 11.168 11.666 1.00 0.28 H new ATOM 0 HB3 GLU A 68 -45.669 10.514 13.178 1.00 0.28 H new ATOM 0 HG2 GLU A 68 -46.715 12.615 13.766 1.00 0.36 H new ATOM 0 HG3 GLU A 68 -45.950 13.438 12.422 1.00 0.36 H new ATOM 1075 N SER A 69 -44.622 13.961 14.532 1.00 0.29 N ATOM 1076 CA SER A 69 -45.236 14.768 15.555 1.00 0.34 C ATOM 1077 C SER A 69 -44.364 15.116 16.746 1.00 0.34 C ATOM 1078 O SER A 69 -44.921 15.477 17.805 1.00 0.40 O ATOM 1079 CB SER A 69 -46.638 14.287 15.984 1.00 0.43 C ATOM 1080 OG SER A 69 -46.707 12.958 16.506 1.00 1.30 O ATOM 0 H SER A 69 -44.579 14.448 13.637 1.00 0.29 H new ATOM 0 HA SER A 69 -45.373 15.716 15.034 1.00 0.34 H new ATOM 0 HB2 SER A 69 -47.022 14.974 16.738 1.00 0.43 H new ATOM 0 HB3 SER A 69 -47.304 14.354 15.123 1.00 0.43 H new ATOM 0 HG SER A 69 -47.633 12.750 16.749 1.00 1.30 H new ATOM 1086 N ASN A 70 -43.044 15.035 16.598 1.00 0.32 N ATOM 1087 CA ASN A 70 -42.069 15.406 17.619 1.00 0.38 C ATOM 1088 C ASN A 70 -41.148 16.530 17.101 1.00 0.34 C ATOM 1089 O ASN A 70 -40.172 16.870 17.755 1.00 0.37 O ATOM 1090 CB ASN A 70 -41.304 14.125 18.008 1.00 0.49 C ATOM 1091 CG ASN A 70 -40.895 14.079 19.471 1.00 0.63 C ATOM 1092 OD1 ASN A 70 -41.051 13.070 20.132 1.00 0.98 O ATOM 1093 ND2 ASN A 70 -40.281 15.104 20.005 1.00 0.85 N ATOM 0 H ASN A 70 -42.611 14.699 15.738 1.00 0.32 H new ATOM 0 HA ASN A 70 -42.552 15.811 18.508 1.00 0.38 H new ATOM 0 HB2 ASN A 70 -41.927 13.259 17.787 1.00 0.49 H new ATOM 0 HB3 ASN A 70 -40.412 14.043 17.388 1.00 0.49 H new ATOM 0 HD21 ASN A 70 -39.940 15.051 20.965 1.00 0.85 H new ATOM 0 HD22 ASN A 70 -40.144 15.956 19.461 1.00 0.85 H new ATOM 1100 N ILE A 71 -41.372 17.042 15.886 1.00 0.30 N ATOM 1101 CA ILE A 71 -40.533 18.074 15.268 1.00 0.28 C ATOM 1102 C ILE A 71 -40.962 19.445 15.780 1.00 0.29 C ATOM 1103 O ILE A 71 -42.140 19.786 15.650 1.00 0.30 O ATOM 1104 CB ILE A 71 -40.628 18.033 13.732 1.00 0.24 C ATOM 1105 CG1 ILE A 71 -40.277 16.651 13.139 1.00 0.24 C ATOM 1106 CG2 ILE A 71 -39.725 19.127 13.135 1.00 0.23 C ATOM 1107 CD1 ILE A 71 -40.782 16.508 11.698 1.00 0.24 C ATOM 0 H ILE A 71 -42.151 16.747 15.297 1.00 0.30 H new ATOM 0 HA ILE A 71 -39.495 17.883 15.541 1.00 0.28 H new ATOM 0 HB ILE A 71 -41.668 18.220 13.464 1.00 0.24 H new ATOM 0 HG12 ILE A 71 -39.197 16.509 13.162 1.00 0.24 H new ATOM 0 HG13 ILE A 71 -40.715 15.868 13.758 1.00 0.24 H new ATOM 0 HG21 ILE A 71 -39.791 19.100 12.047 1.00 0.23 H new ATOM 0 HG22 ILE A 71 -40.051 20.103 13.494 1.00 0.23 H new ATOM 0 HG23 ILE A 71 -38.693 18.954 13.440 1.00 0.23 H new ATOM 0 HD11 ILE A 71 -40.516 15.523 11.315 1.00 0.24 H new ATOM 0 HD12 ILE A 71 -41.866 16.624 11.679 1.00 0.24 H new ATOM 0 HD13 ILE A 71 -40.324 17.275 11.074 1.00 0.24 H new ATOM 1119 N GLN A 72 -40.000 20.298 16.146 1.00 0.29 N ATOM 1120 CA GLN A 72 -40.240 21.707 16.422 1.00 0.33 C ATOM 1121 C GLN A 72 -39.335 22.517 15.510 1.00 0.31 C ATOM 1122 O GLN A 72 -38.325 22.032 15.068 1.00 0.29 O ATOM 1123 CB GLN A 72 -39.744 22.063 17.853 1.00 0.38 C ATOM 1124 CG GLN A 72 -40.715 21.398 18.855 1.00 0.46 C ATOM 1125 CD GLN A 72 -40.562 21.936 20.322 1.00 0.95 C ATOM 1126 OE1 GLN A 72 -39.898 21.363 21.172 1.00 1.15 O ATOM 1127 NE2 GLN A 72 -41.214 23.113 20.569 1.00 1.96 N ATOM 0 H GLN A 72 -39.025 20.021 16.258 1.00 0.29 H new ATOM 0 HA GLN A 72 -41.303 21.910 16.294 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -38.727 21.703 18.008 1.00 0.38 H new ATOM 0 HB3 GLN A 72 -39.725 23.143 17.995 1.00 0.38 H new ATOM 0 HG2 GLN A 72 -41.739 21.562 18.521 1.00 0.46 H new ATOM 0 HG3 GLN A 72 -40.548 20.321 18.852 1.00 0.46 H new ATOM 0 HE21 GLN A 72 -41.758 23.559 19.831 1.00 1.96 H new ATOM 0 HE22 GLN A 72 -41.156 23.544 21.491 1.00 1.96 H new ATOM 1136 N THR A 73 -39.621 23.786 15.274 1.00 0.36 N ATOM 1137 CA THR A 73 -38.985 24.464 14.139 1.00 0.38 C ATOM 1138 C THR A 73 -37.920 25.493 14.529 1.00 0.42 C ATOM 1139 O THR A 73 -37.741 25.837 15.700 1.00 0.43 O ATOM 1140 CB THR A 73 -40.091 25.087 13.304 1.00 0.42 C ATOM 1141 OG1 THR A 73 -40.929 25.810 14.166 1.00 0.48 O ATOM 1142 CG2 THR A 73 -40.860 24.023 12.517 1.00 0.40 C ATOM 0 H THR A 73 -40.263 24.356 15.824 1.00 0.36 H new ATOM 0 HA THR A 73 -38.428 23.723 13.566 1.00 0.38 H new ATOM 0 HB THR A 73 -39.666 25.761 12.561 1.00 0.42 H new ATOM 0 HG1 THR A 73 -40.870 26.765 13.955 1.00 0.48 H new ATOM 0 HG21 THR A 73 -41.644 24.501 11.930 1.00 0.40 H new ATOM 0 HG22 THR A 73 -40.176 23.498 11.850 1.00 0.40 H new ATOM 0 HG23 THR A 73 -41.308 23.311 13.210 1.00 0.40 H new ATOM 1150 N MET A 74 -37.320 26.103 13.499 1.00 0.45 N ATOM 1151 CA MET A 74 -36.547 27.352 13.543 1.00 0.51 C ATOM 1152 C MET A 74 -37.351 28.604 13.954 1.00 0.60 C ATOM 1153 O MET A 74 -36.762 29.680 14.013 1.00 0.78 O ATOM 1154 CB MET A 74 -35.865 27.587 12.184 1.00 0.63 C ATOM 1155 CG MET A 74 -34.643 26.701 11.912 1.00 0.69 C ATOM 1156 SD MET A 74 -34.234 26.742 10.151 1.00 1.11 S ATOM 1157 CE MET A 74 -33.064 25.371 9.973 1.00 0.59 C ATOM 0 H MET A 74 -37.363 25.715 12.557 1.00 0.45 H new ATOM 0 HA MET A 74 -35.810 27.213 14.333 1.00 0.51 H new ATOM 0 HB2 MET A 74 -36.597 27.423 11.393 1.00 0.63 H new ATOM 0 HB3 MET A 74 -35.559 28.631 12.123 1.00 0.63 H new ATOM 0 HG2 MET A 74 -33.793 27.048 12.500 1.00 0.69 H new ATOM 0 HG3 MET A 74 -34.849 25.677 12.223 1.00 0.69 H new ATOM 0 HE1 MET A 74 -32.921 25.150 8.915 1.00 0.59 H new ATOM 0 HE2 MET A 74 -32.108 25.648 10.418 1.00 0.59 H new ATOM 0 HE3 MET A 74 -33.457 24.489 10.478 1.00 0.59 H new ATOM 1167 N GLY A 75 -38.611 28.457 14.377 1.00 0.57 N ATOM 1168 CA GLY A 75 -39.321 29.442 15.180 1.00 0.65 C ATOM 1169 C GLY A 75 -39.968 28.847 16.442 1.00 0.64 C ATOM 1170 O GLY A 75 -40.717 29.498 17.189 1.00 0.73 O ATOM 0 H GLY A 75 -39.171 27.632 14.163 1.00 0.57 H new ATOM 0 HA2 GLY A 75 -38.627 30.230 15.473 1.00 0.65 H new ATOM 0 HA3 GLY A 75 -40.094 29.909 14.570 1.00 0.65 H new ATOM 1174 N GLY A 76 -39.793 27.555 16.663 1.00 0.56 N ATOM 1175 CA GLY A 76 -40.416 26.919 17.791 1.00 0.57 C ATOM 1176 C GLY A 76 -41.856 26.486 17.678 1.00 0.58 C ATOM 1177 O GLY A 76 -42.495 26.145 18.710 1.00 0.63 O ATOM 0 H GLY A 76 -39.229 26.939 16.078 1.00 0.56 H new ATOM 0 HA2 GLY A 76 -39.825 26.038 18.041 1.00 0.57 H new ATOM 0 HA3 GLY A 76 -40.342 27.602 18.637 1.00 0.57 H new ATOM 1181 N LYS A 77 -42.398 26.425 16.470 1.00 0.54 N ATOM 1182 CA LYS A 77 -43.705 25.767 16.231 1.00 0.56 C ATOM 1183 C LYS A 77 -43.520 24.309 16.130 1.00 0.49 C ATOM 1184 O LYS A 77 -42.590 23.832 15.523 1.00 0.43 O ATOM 1185 CB LYS A 77 -44.389 26.185 14.981 1.00 0.59 C ATOM 1186 CG LYS A 77 -45.199 27.374 15.051 1.00 0.67 C ATOM 1187 CD LYS A 77 -46.077 27.640 13.741 1.00 0.74 C ATOM 1188 CE LYS A 77 -46.767 28.972 13.601 1.00 1.17 C ATOM 1189 NZ LYS A 77 -45.762 30.062 13.517 1.00 1.76 N ATOM 0 H LYS A 77 -41.966 26.817 15.633 1.00 0.54 H new ATOM 0 HA LYS A 77 -44.323 26.066 17.078 1.00 0.56 H new ATOM 0 HB2 LYS A 77 -43.631 26.335 14.213 1.00 0.59 H new ATOM 0 HB3 LYS A 77 -45.021 25.362 14.648 1.00 0.59 H new ATOM 0 HG2 LYS A 77 -45.863 27.299 15.912 1.00 0.67 H new ATOM 0 HG3 LYS A 77 -44.551 28.233 15.222 1.00 0.67 H new ATOM 0 HD2 LYS A 77 -45.429 27.509 12.874 1.00 0.74 H new ATOM 0 HD3 LYS A 77 -46.840 26.863 13.689 1.00 0.74 H new ATOM 0 HE2 LYS A 77 -47.392 28.974 12.708 1.00 1.17 H new ATOM 0 HE3 LYS A 77 -47.426 29.140 14.453 1.00 1.17 H new ATOM 0 HZ1 LYS A 77 -46.107 30.804 12.875 1.00 1.76 H new ATOM 0 HZ2 LYS A 77 -45.609 30.467 14.463 1.00 1.76 H new ATOM 0 HZ3 LYS A 77 -44.865 29.680 13.154 1.00 1.76 H new ATOM 1203 N THR A 78 -44.375 23.516 16.776 1.00 0.50 N ATOM 1204 CA THR A 78 -44.364 22.035 16.682 1.00 0.45 C ATOM 1205 C THR A 78 -45.209 21.506 15.532 1.00 0.44 C ATOM 1206 O THR A 78 -46.376 21.909 15.505 1.00 0.51 O ATOM 1207 CB THR A 78 -44.810 21.383 18.005 1.00 0.50 C ATOM 1208 OG1 THR A 78 -44.226 22.048 19.106 1.00 0.54 O ATOM 1209 CG2 THR A 78 -44.453 19.898 18.094 1.00 0.45 C ATOM 0 H THR A 78 -45.107 23.876 17.389 1.00 0.50 H new ATOM 0 HA THR A 78 -43.329 21.759 16.480 1.00 0.45 H new ATOM 0 HB THR A 78 -45.896 21.472 18.029 1.00 0.50 H new ATOM 0 HG1 THR A 78 -44.520 21.623 19.939 1.00 0.54 H new ATOM 0 HG21 THR A 78 -44.794 19.498 19.049 1.00 0.45 H new ATOM 0 HG22 THR A 78 -44.938 19.358 17.281 1.00 0.45 H new ATOM 0 HG23 THR A 78 -43.372 19.778 18.016 1.00 0.45 H new ATOM 1217 N PHE A 79 -44.727 20.652 14.627 1.00 0.35 N ATOM 1218 CA PHE A 79 -45.563 20.118 13.534 1.00 0.32 C ATOM 1219 C PHE A 79 -45.338 18.653 13.147 1.00 0.30 C ATOM 1220 O PHE A 79 -44.389 18.020 13.616 1.00 0.32 O ATOM 1221 CB PHE A 79 -45.632 21.047 12.308 1.00 0.29 C ATOM 1222 CG PHE A 79 -44.347 21.528 11.652 1.00 0.26 C ATOM 1223 CD1 PHE A 79 -43.123 20.838 11.789 1.00 0.24 C ATOM 1224 CD2 PHE A 79 -44.441 22.589 10.734 1.00 0.27 C ATOM 1225 CE1 PHE A 79 -42.018 21.200 10.998 1.00 0.22 C ATOM 1226 CE2 PHE A 79 -43.340 22.942 9.938 1.00 0.26 C ATOM 1227 CZ PHE A 79 -42.133 22.236 10.058 1.00 0.23 C ATOM 0 H PHE A 79 -43.765 20.312 14.624 1.00 0.35 H new ATOM 0 HA PHE A 79 -46.553 20.105 13.991 1.00 0.32 H new ATOM 0 HB2 PHE A 79 -46.215 20.534 11.543 1.00 0.29 H new ATOM 0 HB3 PHE A 79 -46.198 21.931 12.601 1.00 0.29 H new ATOM 0 HD1 PHE A 79 -43.035 20.031 12.502 1.00 0.24 H new ATOM 0 HD2 PHE A 79 -45.367 23.136 10.641 1.00 0.27 H new ATOM 0 HE1 PHE A 79 -41.079 20.680 11.114 1.00 0.22 H new ATOM 0 HE2 PHE A 79 -43.422 23.757 9.234 1.00 0.26 H new ATOM 0 HZ PHE A 79 -41.293 22.490 9.428 1.00 0.23 H new ATOM 1237 N LYS A 80 -46.240 18.071 12.338 1.00 0.30 N ATOM 1238 CA LYS A 80 -46.113 16.641 11.960 1.00 0.31 C ATOM 1239 C LYS A 80 -45.438 16.438 10.597 1.00 0.27 C ATOM 1240 O LYS A 80 -46.126 16.687 9.611 1.00 0.27 O ATOM 1241 CB LYS A 80 -47.503 15.974 11.977 1.00 0.37 C ATOM 1242 CG LYS A 80 -48.205 16.027 13.347 1.00 0.76 C ATOM 1243 CD LYS A 80 -49.417 16.971 13.402 1.00 0.51 C ATOM 1244 CE LYS A 80 -50.565 16.565 12.462 1.00 1.43 C ATOM 1245 NZ LYS A 80 -51.041 15.173 12.687 1.00 1.96 N ATOM 0 H LYS A 80 -47.048 18.549 11.939 1.00 0.30 H new ATOM 0 HA LYS A 80 -45.464 16.169 12.698 1.00 0.31 H new ATOM 0 HB2 LYS A 80 -48.137 16.460 11.236 1.00 0.37 H new ATOM 0 HB3 LYS A 80 -47.399 14.932 11.673 1.00 0.37 H new ATOM 0 HG2 LYS A 80 -48.530 15.022 13.614 1.00 0.76 H new ATOM 0 HG3 LYS A 80 -47.482 16.339 14.101 1.00 0.76 H new ATOM 0 HD2 LYS A 80 -49.793 17.005 14.425 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -49.092 17.980 13.148 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -51.399 17.254 12.598 1.00 1.43 H new ATOM 0 HE3 LYS A 80 -50.233 16.666 11.429 1.00 1.43 H new ATOM 0 HZ1 LYS A 80 -51.868 14.987 12.084 1.00 1.96 H new ATOM 0 HZ2 LYS A 80 -50.282 14.504 12.449 1.00 1.96 H new ATOM 0 HZ3 LYS A 80 -51.307 15.054 13.685 1.00 1.96 H new ATOM 1259 N ALA A 81 -44.280 15.800 10.546 1.00 0.25 N ATOM 1260 CA ALA A 81 -43.829 15.059 9.372 1.00 0.21 C ATOM 1261 C ALA A 81 -42.924 13.919 9.828 1.00 0.20 C ATOM 1262 O ALA A 81 -42.539 13.856 10.996 1.00 0.22 O ATOM 1263 CB ALA A 81 -43.126 15.978 8.365 1.00 0.19 C ATOM 0 H ALA A 81 -43.619 15.780 11.323 1.00 0.25 H new ATOM 0 HA ALA A 81 -44.692 14.641 8.853 1.00 0.21 H new ATOM 0 HB1 ALA A 81 -42.803 15.394 7.503 1.00 0.19 H new ATOM 0 HB2 ALA A 81 -43.817 16.756 8.038 1.00 0.19 H new ATOM 0 HB3 ALA A 81 -42.258 16.439 8.837 1.00 0.19 H new ATOM 1269 N THR A 82 -42.611 13.001 8.920 1.00 0.19 N ATOM 1270 CA THR A 82 -41.743 11.828 9.180 1.00 0.18 C ATOM 1271 C THR A 82 -40.381 12.159 8.774 1.00 0.16 C ATOM 1272 O THR A 82 -40.132 12.534 7.605 1.00 0.18 O ATOM 1273 CB THR A 82 -42.127 10.632 8.344 1.00 0.23 C ATOM 1274 OG1 THR A 82 -43.387 10.126 8.731 1.00 0.28 O ATOM 1275 CG2 THR A 82 -41.169 9.490 8.581 1.00 0.24 C ATOM 0 H THR A 82 -42.954 13.040 7.960 1.00 0.19 H new ATOM 0 HA THR A 82 -41.841 11.591 10.239 1.00 0.18 H new ATOM 0 HB THR A 82 -42.124 10.971 7.308 1.00 0.23 H new ATOM 0 HG1 THR A 82 -43.614 9.353 8.174 1.00 0.28 H new ATOM 0 HG21 THR A 82 -41.462 8.636 7.970 1.00 0.24 H new ATOM 0 HG22 THR A 82 -40.159 9.800 8.311 1.00 0.24 H new ATOM 0 HG23 THR A 82 -41.193 9.208 9.634 1.00 0.24 H new ATOM 1283 N VAL A 83 -39.475 12.204 9.743 1.00 0.14 N ATOM 1284 CA VAL A 83 -38.077 12.515 9.458 1.00 0.14 C ATOM 1285 C VAL A 83 -37.373 11.344 8.787 1.00 0.15 C ATOM 1286 O VAL A 83 -37.254 10.288 9.396 1.00 0.18 O ATOM 1287 CB VAL A 83 -37.319 12.975 10.707 1.00 0.14 C ATOM 1288 CG1 VAL A 83 -36.029 13.648 10.259 1.00 0.17 C ATOM 1289 CG2 VAL A 83 -38.123 13.930 11.588 1.00 0.17 C ATOM 0 H VAL A 83 -39.680 12.031 10.727 1.00 0.14 H new ATOM 0 HA VAL A 83 -38.077 13.351 8.759 1.00 0.14 H new ATOM 0 HB VAL A 83 -37.120 12.095 11.319 1.00 0.14 H new ATOM 0 HG11 VAL A 83 -35.472 13.984 11.133 1.00 0.17 H new ATOM 0 HG12 VAL A 83 -35.425 12.938 9.695 1.00 0.17 H new ATOM 0 HG13 VAL A 83 -36.266 14.505 9.628 1.00 0.17 H new ATOM 0 HG21 VAL A 83 -37.526 14.215 12.454 1.00 0.17 H new ATOM 0 HG22 VAL A 83 -38.382 14.821 11.016 1.00 0.17 H new ATOM 0 HG23 VAL A 83 -39.035 13.436 11.923 1.00 0.17 H new ATOM 1299 N GLN A 84 -36.878 11.512 7.566 1.00 0.14 N ATOM 1300 CA GLN A 84 -36.116 10.480 6.866 1.00 0.15 C ATOM 1301 C GLN A 84 -34.606 10.692 7.058 1.00 0.15 C ATOM 1302 O GLN A 84 -34.134 11.831 7.079 1.00 0.16 O ATOM 1303 CB GLN A 84 -36.523 10.434 5.384 1.00 0.17 C ATOM 1304 CG GLN A 84 -38.042 10.301 5.180 1.00 0.19 C ATOM 1305 CD GLN A 84 -38.422 9.942 3.746 1.00 0.24 C ATOM 1306 OE1 GLN A 84 -39.384 9.233 3.504 1.00 0.51 O ATOM 1307 NE2 GLN A 84 -37.809 10.536 2.740 1.00 0.52 N ATOM 0 H GLN A 84 -36.994 12.372 7.030 1.00 0.14 H new ATOM 0 HA GLN A 84 -36.351 9.506 7.296 1.00 0.15 H new ATOM 0 HB2 GLN A 84 -36.174 11.340 4.889 1.00 0.17 H new ATOM 0 HB3 GLN A 84 -36.023 9.594 4.902 1.00 0.17 H new ATOM 0 HG2 GLN A 84 -38.428 9.537 5.854 1.00 0.19 H new ATOM 0 HG3 GLN A 84 -38.523 11.240 5.453 1.00 0.19 H new ATOM 0 HE21 GLN A 84 -37.002 11.134 2.916 1.00 0.52 H new ATOM 0 HE22 GLN A 84 -38.142 10.397 1.786 1.00 0.52 H new ATOM 1316 N MET A 85 -33.862 9.594 7.207 1.00 0.16 N ATOM 1317 CA MET A 85 -32.383 9.550 7.234 1.00 0.17 C ATOM 1318 C MET A 85 -31.932 8.953 5.895 1.00 0.20 C ATOM 1319 O MET A 85 -32.175 7.819 5.550 1.00 0.22 O ATOM 1320 CB MET A 85 -31.759 8.727 8.370 1.00 0.21 C ATOM 1321 CG MET A 85 -30.698 9.440 9.133 1.00 0.21 C ATOM 1322 SD MET A 85 -30.133 8.465 10.504 1.00 0.23 S ATOM 1323 CE MET A 85 -28.747 9.579 10.988 1.00 0.19 C ATOM 0 H MET A 85 -34.281 8.671 7.317 1.00 0.16 H new ATOM 0 HA MET A 85 -32.042 10.571 7.406 1.00 0.17 H new ATOM 0 HB2 MET A 85 -32.547 8.427 9.061 1.00 0.21 H new ATOM 0 HB3 MET A 85 -31.337 7.813 7.951 1.00 0.21 H new ATOM 0 HG2 MET A 85 -29.860 9.665 8.473 1.00 0.21 H new ATOM 0 HG3 MET A 85 -31.084 10.393 9.495 1.00 0.21 H new ATOM 0 HE1 MET A 85 -28.124 9.082 11.732 1.00 0.19 H new ATOM 0 HE2 MET A 85 -28.146 9.815 10.110 1.00 0.19 H new ATOM 0 HE3 MET A 85 -29.150 10.500 11.409 1.00 0.19 H new ATOM 1333 N GLU A 86 -31.239 9.778 5.085 1.00 0.26 N ATOM 1334 CA GLU A 86 -30.913 9.370 3.744 1.00 0.31 C ATOM 1335 C GLU A 86 -29.388 9.457 3.561 1.00 0.31 C ATOM 1336 O GLU A 86 -28.794 10.374 2.934 1.00 0.34 O ATOM 1337 CB GLU A 86 -31.490 10.408 2.800 1.00 0.40 C ATOM 1338 CG GLU A 86 -32.931 10.001 2.475 1.00 0.41 C ATOM 1339 CD GLU A 86 -33.047 9.029 1.328 1.00 0.95 C ATOM 1340 OE1 GLU A 86 -32.540 7.884 1.341 1.00 1.35 O ATOM 1341 OE2 GLU A 86 -33.763 9.380 0.341 1.00 1.53 O ATOM 0 H GLU A 86 -30.909 10.707 5.347 1.00 0.26 H new ATOM 0 HA GLU A 86 -31.290 8.365 3.557 1.00 0.31 H new ATOM 0 HB2 GLU A 86 -31.467 11.396 3.260 1.00 0.40 H new ATOM 0 HB3 GLU A 86 -30.895 10.467 1.888 1.00 0.40 H new ATOM 0 HG2 GLU A 86 -33.382 9.556 3.362 1.00 0.41 H new ATOM 0 HG3 GLU A 86 -33.507 10.896 2.240 1.00 0.41 H new ATOM 1348 N GLY A 87 -28.659 8.459 4.066 1.00 0.36 N ATOM 1349 CA GLY A 87 -27.200 8.394 3.914 1.00 0.43 C ATOM 1350 C GLY A 87 -26.347 9.338 4.821 1.00 0.50 C ATOM 1351 O GLY A 87 -25.279 9.862 4.499 1.00 1.05 O ATOM 0 H GLY A 87 -29.057 7.678 4.588 1.00 0.36 H new ATOM 0 HA2 GLY A 87 -26.886 7.368 4.104 1.00 0.43 H new ATOM 0 HA3 GLY A 87 -26.958 8.614 2.874 1.00 0.43 H new ATOM 1355 N GLY A 88 -26.887 9.609 6.007 1.00 0.30 N ATOM 1356 CA GLY A 88 -26.332 10.570 6.942 1.00 0.25 C ATOM 1357 C GLY A 88 -26.650 12.023 6.784 1.00 0.24 C ATOM 1358 O GLY A 88 -25.792 12.856 7.082 1.00 0.36 O ATOM 0 H GLY A 88 -27.736 9.157 6.346 1.00 0.30 H new ATOM 0 HA2 GLY A 88 -26.650 10.273 7.942 1.00 0.25 H new ATOM 0 HA3 GLY A 88 -25.247 10.468 6.909 1.00 0.25 H new ATOM 1362 N LYS A 89 -27.896 12.286 6.347 1.00 0.19 N ATOM 1363 CA LYS A 89 -28.499 13.592 6.175 1.00 0.18 C ATOM 1364 C LYS A 89 -29.958 13.467 6.384 1.00 0.15 C ATOM 1365 O LYS A 89 -30.520 12.415 6.110 1.00 0.16 O ATOM 1366 CB LYS A 89 -28.320 14.223 4.759 1.00 0.22 C ATOM 1367 CG LYS A 89 -28.763 13.471 3.516 1.00 0.26 C ATOM 1368 CD LYS A 89 -28.216 14.012 2.131 1.00 0.60 C ATOM 1369 CE LYS A 89 -28.966 13.403 0.924 1.00 1.62 C ATOM 1370 NZ LYS A 89 -28.643 11.999 0.584 1.00 2.70 N ATOM 0 H LYS A 89 -28.537 11.534 6.093 1.00 0.19 H new ATOM 0 HA LYS A 89 -27.994 14.237 6.893 1.00 0.18 H new ATOM 0 HB2 LYS A 89 -28.848 15.176 4.763 1.00 0.22 H new ATOM 0 HB3 LYS A 89 -27.260 14.447 4.639 1.00 0.22 H new ATOM 0 HG2 LYS A 89 -28.458 12.430 3.620 1.00 0.26 H new ATOM 0 HG3 LYS A 89 -29.852 13.482 3.481 1.00 0.26 H new ATOM 0 HD2 LYS A 89 -28.311 15.098 2.105 1.00 0.60 H new ATOM 0 HD3 LYS A 89 -27.153 13.783 2.048 1.00 0.60 H new ATOM 0 HE2 LYS A 89 -30.036 13.469 1.119 1.00 1.62 H new ATOM 0 HE3 LYS A 89 -28.763 14.021 0.049 1.00 1.62 H new ATOM 0 HZ1 LYS A 89 -29.320 11.649 -0.124 1.00 2.70 H new ATOM 0 HZ2 LYS A 89 -27.679 11.949 0.196 1.00 2.70 H new ATOM 0 HZ3 LYS A 89 -28.703 11.412 1.440 1.00 2.70 H new ATOM 1384 N LEU A 90 -30.611 14.479 6.937 1.00 0.16 N ATOM 1385 CA LEU A 90 -31.987 14.318 7.414 1.00 0.15 C ATOM 1386 C LEU A 90 -32.960 15.305 6.744 1.00 0.15 C ATOM 1387 O LEU A 90 -32.568 16.394 6.331 1.00 0.19 O ATOM 1388 CB LEU A 90 -31.986 14.326 8.949 1.00 0.18 C ATOM 1389 CG LEU A 90 -31.295 13.134 9.629 1.00 0.19 C ATOM 1390 CD1 LEU A 90 -29.930 13.536 10.196 1.00 0.23 C ATOM 1391 CD2 LEU A 90 -32.144 12.642 10.801 1.00 0.18 C ATOM 0 H LEU A 90 -30.220 15.412 7.068 1.00 0.16 H new ATOM 0 HA LEU A 90 -32.381 13.349 7.108 1.00 0.15 H new ATOM 0 HB2 LEU A 90 -31.502 15.242 9.287 1.00 0.18 H new ATOM 0 HB3 LEU A 90 -33.020 14.366 9.293 1.00 0.18 H new ATOM 0 HG LEU A 90 -31.171 12.356 8.875 1.00 0.19 H new ATOM 0 HD11 LEU A 90 -29.465 12.672 10.671 1.00 0.23 H new ATOM 0 HD12 LEU A 90 -29.291 13.894 9.388 1.00 0.23 H new ATOM 0 HD13 LEU A 90 -30.061 14.329 10.933 1.00 0.23 H new ATOM 0 HD21 LEU A 90 -31.649 11.797 11.279 1.00 0.18 H new ATOM 0 HD22 LEU A 90 -32.267 13.448 11.525 1.00 0.18 H new ATOM 0 HD23 LEU A 90 -33.123 12.330 10.436 1.00 0.18 H new ATOM 1403 N VAL A 91 -34.187 14.843 6.476 1.00 0.15 N ATOM 1404 CA VAL A 91 -35.088 15.432 5.478 1.00 0.16 C ATOM 1405 C VAL A 91 -36.528 15.176 5.928 1.00 0.16 C ATOM 1406 O VAL A 91 -36.853 14.139 6.501 1.00 0.17 O ATOM 1407 CB VAL A 91 -34.784 14.854 4.065 1.00 0.18 C ATOM 1408 CG1 VAL A 91 -34.088 13.486 4.032 1.00 0.23 C ATOM 1409 CG2 VAL A 91 -35.993 14.793 3.117 1.00 0.23 C ATOM 0 H VAL A 91 -34.588 14.036 6.954 1.00 0.15 H new ATOM 0 HA VAL A 91 -34.937 16.509 5.402 1.00 0.16 H new ATOM 0 HB VAL A 91 -34.078 15.602 3.704 1.00 0.18 H new ATOM 0 HG11 VAL A 91 -33.927 13.184 2.997 1.00 0.23 H new ATOM 0 HG12 VAL A 91 -33.128 13.554 4.543 1.00 0.23 H new ATOM 0 HG13 VAL A 91 -34.714 12.747 4.532 1.00 0.23 H new ATOM 0 HG21 VAL A 91 -35.683 14.377 2.158 1.00 0.23 H new ATOM 0 HG22 VAL A 91 -36.766 14.161 3.554 1.00 0.23 H new ATOM 0 HG23 VAL A 91 -36.388 15.798 2.966 1.00 0.23 H new ATOM 1419 N VAL A 92 -37.408 16.128 5.619 1.00 0.16 N ATOM 1420 CA VAL A 92 -38.866 16.075 5.823 1.00 0.17 C ATOM 1421 C VAL A 92 -39.553 16.560 4.545 1.00 0.17 C ATOM 1422 O VAL A 92 -38.905 17.125 3.659 1.00 0.18 O ATOM 1423 CB VAL A 92 -39.300 16.937 7.029 1.00 0.18 C ATOM 1424 CG1 VAL A 92 -38.838 16.298 8.338 1.00 0.56 C ATOM 1425 CG2 VAL A 92 -38.785 18.382 6.976 1.00 0.65 C ATOM 0 H VAL A 92 -37.112 17.008 5.196 1.00 0.16 H new ATOM 0 HA VAL A 92 -39.159 15.048 6.041 1.00 0.17 H new ATOM 0 HB VAL A 92 -40.388 16.978 6.980 1.00 0.18 H new ATOM 0 HG11 VAL A 92 -39.152 16.919 9.177 1.00 0.56 H new ATOM 0 HG12 VAL A 92 -39.280 15.306 8.435 1.00 0.56 H new ATOM 0 HG13 VAL A 92 -37.751 16.212 8.337 1.00 0.56 H new ATOM 0 HG21 VAL A 92 -39.131 18.924 7.856 1.00 0.65 H new ATOM 0 HG22 VAL A 92 -37.695 18.379 6.956 1.00 0.65 H new ATOM 0 HG23 VAL A 92 -39.163 18.870 6.078 1.00 0.65 H new ATOM 1435 N ASN A 93 -40.862 16.332 4.437 1.00 0.20 N ATOM 1436 CA ASN A 93 -41.694 16.598 3.304 1.00 0.21 C ATOM 1437 C ASN A 93 -43.046 17.042 3.800 1.00 0.22 C ATOM 1438 O ASN A 93 -43.613 16.500 4.766 1.00 0.34 O ATOM 1439 CB ASN A 93 -41.887 15.263 2.517 1.00 0.30 C ATOM 1440 CG ASN A 93 -40.643 14.961 1.671 1.00 1.07 C ATOM 1441 OD1 ASN A 93 -40.220 15.816 0.901 1.00 1.89 O ATOM 1442 ND2 ASN A 93 -40.126 13.677 1.771 1.00 1.06 N ATOM 0 H ASN A 93 -41.391 15.925 5.208 1.00 0.20 H new ATOM 0 HA ASN A 93 -41.244 17.363 2.671 1.00 0.21 H new ATOM 0 HB2 ASN A 93 -42.069 14.445 3.214 1.00 0.30 H new ATOM 0 HB3 ASN A 93 -42.764 15.335 1.874 1.00 0.30 H new ATOM 0 HD21 ASN A 93 -39.344 13.395 1.180 1.00 1.06 H new ATOM 0 HD22 ASN A 93 -40.528 13.016 2.435 1.00 1.06 H new ATOM 1449 N PHE A 94 -43.531 18.153 3.286 1.00 0.17 N ATOM 1450 CA PHE A 94 -44.821 18.762 3.582 1.00 0.19 C ATOM 1451 C PHE A 94 -45.385 19.274 2.258 1.00 0.22 C ATOM 1452 O PHE A 94 -44.570 19.617 1.404 1.00 0.26 O ATOM 1453 CB PHE A 94 -44.684 19.930 4.571 1.00 0.20 C ATOM 1454 CG PHE A 94 -44.241 19.598 5.981 1.00 0.19 C ATOM 1455 CD1 PHE A 94 -42.870 19.531 6.302 1.00 0.17 C ATOM 1456 CD2 PHE A 94 -45.202 19.456 7.001 1.00 0.21 C ATOM 1457 CE1 PHE A 94 -42.472 19.324 7.636 1.00 0.17 C ATOM 1458 CE2 PHE A 94 -44.798 19.258 8.330 1.00 0.21 C ATOM 1459 CZ PHE A 94 -43.433 19.183 8.647 1.00 0.20 C ATOM 0 H PHE A 94 -43.002 18.695 2.603 1.00 0.17 H new ATOM 0 HA PHE A 94 -45.479 18.026 4.045 1.00 0.19 H new ATOM 0 HB2 PHE A 94 -43.974 20.644 4.154 1.00 0.20 H new ATOM 0 HB3 PHE A 94 -45.647 20.436 4.631 1.00 0.20 H new ATOM 0 HD1 PHE A 94 -42.127 19.638 5.526 1.00 0.17 H new ATOM 0 HD2 PHE A 94 -46.254 19.500 6.759 1.00 0.21 H new ATOM 0 HE1 PHE A 94 -41.422 19.274 7.882 1.00 0.17 H new ATOM 0 HE2 PHE A 94 -45.539 19.163 9.110 1.00 0.21 H new ATOM 0 HZ PHE A 94 -43.123 19.017 9.668 1.00 0.20 H new ATOM 1469 N PRO A 95 -46.704 19.533 2.142 1.00 0.25 N ATOM 1470 CA PRO A 95 -47.212 20.046 0.892 1.00 0.29 C ATOM 1471 C PRO A 95 -46.511 21.308 0.484 1.00 0.30 C ATOM 1472 O PRO A 95 -46.384 21.551 -0.757 1.00 0.46 O ATOM 1473 CB PRO A 95 -48.748 20.166 1.156 1.00 0.38 C ATOM 1474 CG PRO A 95 -49.024 19.034 2.178 1.00 0.44 C ATOM 1475 CD PRO A 95 -47.742 18.829 2.936 1.00 0.32 C ATOM 0 HA PRO A 95 -47.027 19.408 0.028 1.00 0.29 H new ATOM 0 HB2 PRO A 95 -49.012 21.144 1.558 1.00 0.38 H new ATOM 0 HB3 PRO A 95 -49.325 20.031 0.241 1.00 0.38 H new ATOM 0 HG2 PRO A 95 -49.835 19.308 2.853 1.00 0.44 H new ATOM 0 HG3 PRO A 95 -49.327 18.118 1.671 1.00 0.44 H new ATOM 0 HD2 PRO A 95 -47.811 19.237 3.944 1.00 0.32 H new ATOM 0 HD3 PRO A 95 -47.509 17.769 3.037 1.00 0.32 H new ATOM 1483 N ASN A 96 -46.094 22.164 1.429 1.00 0.33 N ATOM 1484 CA ASN A 96 -45.368 23.388 1.105 1.00 0.45 C ATOM 1485 C ASN A 96 -43.841 23.288 1.285 1.00 0.50 C ATOM 1486 O ASN A 96 -43.176 24.199 0.799 1.00 0.90 O ATOM 1487 CB ASN A 96 -45.949 24.546 1.944 1.00 0.63 C ATOM 1488 CG ASN A 96 -45.549 25.907 1.385 1.00 0.86 C ATOM 1489 OD1 ASN A 96 -45.625 26.154 0.197 1.00 1.89 O ATOM 1490 ND2 ASN A 96 -45.312 26.891 2.220 1.00 0.77 N ATOM 0 H ASN A 96 -46.251 22.024 2.427 1.00 0.33 H new ATOM 0 HA ASN A 96 -45.509 23.573 0.040 1.00 0.45 H new ATOM 0 HB2 ASN A 96 -47.036 24.468 1.967 1.00 0.63 H new ATOM 0 HB3 ASN A 96 -45.601 24.459 2.973 1.00 0.63 H new ATOM 0 HD21 ASN A 96 -45.195 27.841 1.868 1.00 0.77 H new ATOM 0 HD22 ASN A 96 -45.244 26.706 3.221 1.00 0.77 H new ATOM 1497 N TYR A 97 -43.331 22.308 2.019 1.00 0.26 N ATOM 1498 CA TYR A 97 -42.005 22.429 2.587 1.00 0.23 C ATOM 1499 C TYR A 97 -41.153 21.155 2.569 1.00 0.20 C ATOM 1500 O TYR A 97 -41.653 20.052 2.773 1.00 0.22 O ATOM 1501 CB TYR A 97 -42.022 23.111 3.916 1.00 0.00 C ATOM 1502 CG TYR A 97 -40.610 23.504 4.276 1.00 0.00 C ATOM 1503 CD1 TYR A 97 -39.983 24.557 3.599 1.00 0.00 C ATOM 1504 CD2 TYR A 97 -39.927 22.815 5.287 1.00 0.00 C ATOM 1505 CE1 TYR A 97 -38.674 24.922 3.933 1.00 0.00 C ATOM 1506 CE2 TYR A 97 -38.618 23.181 5.621 1.00 0.00 C ATOM 1507 CZ TYR A 97 -37.991 24.234 4.944 1.00 0.00 C ATOM 1508 OH TYR A 97 -36.719 24.588 5.268 1.00 0.00 O ATOM 0 H TYR A 97 -43.812 21.433 2.230 1.00 0.26 H new ATOM 0 HA TYR A 97 -41.475 23.083 1.894 1.00 0.23 H new ATOM 0 HB2 TYR A 97 -42.662 23.992 3.880 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -42.435 22.448 4.676 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -40.509 25.087 2.819 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -40.410 22.002 5.808 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -38.190 25.734 3.411 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -38.092 22.651 6.401 1.00 0.00 H new ATOM 0 HH TYR A 97 -36.142 23.797 5.239 1.00 0.00 H new ATOM 1518 N HIS A 98 -39.854 21.293 2.327 1.00 0.18 N ATOM 1519 CA HIS A 98 -38.889 20.191 2.200 1.00 0.18 C ATOM 1520 C HIS A 98 -37.507 20.611 2.735 1.00 0.19 C ATOM 1521 O HIS A 98 -37.105 21.747 2.539 1.00 0.18 O ATOM 1522 CB HIS A 98 -38.825 19.775 0.720 1.00 0.21 C ATOM 1523 CG HIS A 98 -37.748 18.765 0.408 1.00 0.25 C ATOM 1524 ND1 HIS A 98 -37.855 17.390 0.539 1.00 0.31 N ATOM 1525 CD2 HIS A 98 -36.469 19.052 0.006 1.00 0.27 C ATOM 1526 CE1 HIS A 98 -36.654 16.854 0.233 1.00 0.36 C ATOM 1527 NE2 HIS A 98 -35.798 17.846 -0.089 1.00 0.34 N ATOM 0 H HIS A 98 -39.421 22.209 2.208 1.00 0.18 H new ATOM 0 HA HIS A 98 -39.209 19.338 2.799 1.00 0.18 H new ATOM 0 HB2 HIS A 98 -39.791 19.362 0.428 1.00 0.21 H new ATOM 0 HB3 HIS A 98 -38.661 20.664 0.111 1.00 0.21 H new ATOM 0 HD1 HIS A 98 -38.691 16.875 0.817 1.00 0.31 H new ATOM 0 HD2 HIS A 98 -36.063 20.032 -0.198 1.00 0.27 H new ATOM 0 HE1 HIS A 98 -36.417 15.800 0.244 1.00 0.36 H new ATOM 1535 N GLN A 99 -36.720 19.678 3.269 1.00 0.22 N ATOM 1536 CA GLN A 99 -35.430 19.927 3.932 1.00 0.29 C ATOM 1537 C GLN A 99 -34.448 18.883 3.430 1.00 0.20 C ATOM 1538 O GLN A 99 -34.884 17.939 2.763 1.00 0.26 O ATOM 1539 CB GLN A 99 -35.646 19.702 5.380 1.00 0.55 C ATOM 1540 CG GLN A 99 -34.323 19.867 6.285 1.00 0.55 C ATOM 1541 CD GLN A 99 -33.628 21.183 6.021 1.00 0.64 C ATOM 1542 OE1 GLN A 99 -32.665 21.217 5.239 1.00 1.48 O ATOM 1543 NE2 GLN A 99 -34.045 22.337 6.624 1.00 0.42 N ATOM 0 H GLN A 99 -36.968 18.689 3.254 1.00 0.22 H new ATOM 0 HA GLN A 99 -35.056 20.932 3.736 1.00 0.29 H new ATOM 0 HB2 GLN A 99 -36.403 20.401 5.735 1.00 0.55 H new ATOM 0 HB3 GLN A 99 -36.046 18.698 5.523 1.00 0.55 H new ATOM 0 HG2 GLN A 99 -34.592 19.802 7.339 1.00 0.55 H new ATOM 0 HG3 GLN A 99 -33.637 19.045 6.080 1.00 0.55 H new ATOM 0 HE21 GLN A 99 -34.836 22.319 7.268 1.00 0.42 H new ATOM 0 HE22 GLN A 99 -33.566 23.216 6.430 1.00 0.42 H new ATOM 1552 N THR A 100 -33.140 19.022 3.560 1.00 0.22 N ATOM 1553 CA THR A 100 -32.152 17.937 3.459 1.00 0.21 C ATOM 1554 C THR A 100 -30.882 18.584 3.997 1.00 0.24 C ATOM 1555 O THR A 100 -30.470 19.624 3.511 1.00 0.40 O ATOM 1556 CB THR A 100 -31.941 17.489 1.997 1.00 0.22 C ATOM 1557 OG1 THR A 100 -32.983 16.626 1.603 1.00 0.26 O ATOM 1558 CG2 THR A 100 -30.653 16.710 1.750 1.00 0.21 C ATOM 0 H THR A 100 -32.709 19.928 3.747 1.00 0.22 H new ATOM 0 HA THR A 100 -32.459 17.041 3.999 1.00 0.21 H new ATOM 0 HB THR A 100 -31.905 18.420 1.432 1.00 0.22 H new ATOM 0 HG1 THR A 100 -33.830 17.119 1.592 1.00 0.26 H new ATOM 0 HG21 THR A 100 -30.589 16.437 0.697 1.00 0.21 H new ATOM 0 HG22 THR A 100 -29.796 17.329 2.017 1.00 0.21 H new ATOM 0 HG23 THR A 100 -30.652 15.807 2.360 1.00 0.21 H new ATOM 1566 N SER A 101 -30.309 18.070 5.077 1.00 0.21 N ATOM 1567 CA SER A 101 -29.189 18.778 5.737 1.00 0.27 C ATOM 1568 C SER A 101 -28.093 17.862 6.269 1.00 0.27 C ATOM 1569 O SER A 101 -28.360 16.745 6.724 1.00 0.46 O ATOM 1570 CB SER A 101 -29.699 19.783 6.770 1.00 0.42 C ATOM 1571 OG SER A 101 -30.253 19.184 7.928 1.00 1.24 O ATOM 0 H SER A 101 -30.582 17.190 5.515 1.00 0.21 H new ATOM 0 HA SER A 101 -28.688 19.348 4.955 1.00 0.27 H new ATOM 0 HB2 SER A 101 -28.876 20.433 7.067 1.00 0.42 H new ATOM 0 HB3 SER A 101 -30.454 20.417 6.304 1.00 0.42 H new ATOM 0 HG SER A 101 -29.997 19.703 8.719 1.00 1.24 H new ATOM 1577 N GLU A 102 -26.840 18.252 6.008 1.00 0.22 N ATOM 1578 CA GLU A 102 -25.677 17.396 5.826 1.00 0.27 C ATOM 1579 C GLU A 102 -24.352 17.867 6.378 1.00 0.20 C ATOM 1580 O GLU A 102 -24.121 19.013 6.721 1.00 0.20 O ATOM 1581 CB GLU A 102 -25.537 17.070 4.367 1.00 0.43 C ATOM 1582 CG GLU A 102 -25.190 18.335 3.516 1.00 0.81 C ATOM 1583 CD GLU A 102 -25.019 17.874 2.076 1.00 1.25 C ATOM 1584 OE1 GLU A 102 -26.042 17.361 1.494 1.00 1.55 O ATOM 1585 OE2 GLU A 102 -23.935 17.853 1.495 1.00 1.67 O ATOM 0 H GLU A 102 -26.603 19.240 5.913 1.00 0.22 H new ATOM 0 HA GLU A 102 -25.896 16.523 6.441 1.00 0.27 H new ATOM 0 HB2 GLU A 102 -24.757 16.320 4.236 1.00 0.43 H new ATOM 0 HB3 GLU A 102 -26.466 16.631 4.003 1.00 0.43 H new ATOM 0 HG2 GLU A 102 -25.984 19.079 3.590 1.00 0.81 H new ATOM 0 HG3 GLU A 102 -24.277 18.806 3.881 1.00 0.81 H new ATOM 1592 N ILE A 103 -23.400 16.956 6.356 1.00 0.19 N ATOM 1593 CA ILE A 103 -22.083 17.141 6.829 1.00 0.21 C ATOM 1594 C ILE A 103 -21.160 17.177 5.618 1.00 0.26 C ATOM 1595 O ILE A 103 -21.095 16.267 4.774 1.00 0.28 O ATOM 1596 CB ILE A 103 -21.487 16.077 7.695 1.00 0.23 C ATOM 1597 CG1 ILE A 103 -22.477 15.862 8.936 1.00 0.22 C ATOM 1598 CG2 ILE A 103 -20.022 16.433 8.156 1.00 0.27 C ATOM 1599 CD1 ILE A 103 -21.907 14.870 9.960 1.00 0.21 C ATOM 0 H ILE A 103 -23.555 16.020 5.982 1.00 0.19 H new ATOM 0 HA ILE A 103 -22.162 18.043 7.436 1.00 0.21 H new ATOM 0 HB ILE A 103 -21.386 15.150 7.131 1.00 0.23 H new ATOM 0 HG12 ILE A 103 -22.662 16.820 9.423 1.00 0.22 H new ATOM 0 HG13 ILE A 103 -23.438 15.498 8.574 1.00 0.22 H new ATOM 0 HG21 ILE A 103 -19.632 15.630 8.782 1.00 0.27 H new ATOM 0 HG22 ILE A 103 -19.384 16.552 7.280 1.00 0.27 H new ATOM 0 HG23 ILE A 103 -20.035 17.363 8.725 1.00 0.27 H new ATOM 0 HD11 ILE A 103 -22.610 14.754 10.785 1.00 0.21 H new ATOM 0 HD12 ILE A 103 -21.747 13.904 9.481 1.00 0.21 H new ATOM 0 HD13 ILE A 103 -20.958 15.247 10.343 1.00 0.21 H new ATOM 1611 N VAL A 104 -20.372 18.258 5.469 1.00 0.32 N ATOM 1612 CA VAL A 104 -19.403 18.417 4.408 1.00 0.41 C ATOM 1613 C VAL A 104 -18.000 18.615 5.023 1.00 0.48 C ATOM 1614 O VAL A 104 -17.571 19.735 5.277 1.00 0.47 O ATOM 1615 CB VAL A 104 -19.723 19.475 3.356 1.00 0.47 C ATOM 1616 CG1 VAL A 104 -18.601 19.465 2.266 1.00 0.60 C ATOM 1617 CG2 VAL A 104 -21.019 19.165 2.624 1.00 0.45 C ATOM 0 H VAL A 104 -20.405 19.054 6.106 1.00 0.32 H new ATOM 0 HA VAL A 104 -19.440 17.492 3.833 1.00 0.41 H new ATOM 0 HB VAL A 104 -19.802 20.431 3.873 1.00 0.47 H new ATOM 0 HG11 VAL A 104 -18.822 20.218 1.510 1.00 0.60 H new ATOM 0 HG12 VAL A 104 -17.640 19.688 2.731 1.00 0.60 H new ATOM 0 HG13 VAL A 104 -18.558 18.482 1.797 1.00 0.60 H new ATOM 0 HG21 VAL A 104 -21.213 19.941 1.883 1.00 0.45 H new ATOM 0 HG22 VAL A 104 -20.933 18.200 2.125 1.00 0.45 H new ATOM 0 HG23 VAL A 104 -21.841 19.132 3.339 1.00 0.45 H new ATOM 1627 N GLY A 105 -17.156 17.601 5.149 1.00 0.56 N ATOM 1628 CA GLY A 105 -15.951 17.551 5.933 1.00 0.63 C ATOM 1629 C GLY A 105 -16.093 18.116 7.380 1.00 0.59 C ATOM 1630 O GLY A 105 -16.640 17.413 8.251 1.00 0.68 O ATOM 0 H GLY A 105 -17.320 16.721 4.659 1.00 0.56 H new ATOM 0 HA2 GLY A 105 -15.615 16.516 5.993 1.00 0.63 H new ATOM 0 HA3 GLY A 105 -15.172 18.110 5.414 1.00 0.63 H new ATOM 1634 N ASP A 106 -15.559 19.324 7.713 1.00 0.52 N ATOM 1635 CA ASP A 106 -15.773 19.870 9.077 1.00 0.50 C ATOM 1636 C ASP A 106 -16.895 20.944 9.154 1.00 0.40 C ATOM 1637 O ASP A 106 -17.075 21.552 10.179 1.00 0.44 O ATOM 1638 CB ASP A 106 -14.417 20.481 9.588 1.00 0.58 C ATOM 1639 CG ASP A 106 -13.299 19.530 9.736 1.00 1.53 C ATOM 1640 OD1 ASP A 106 -13.338 18.596 10.628 1.00 2.11 O ATOM 1641 OD2 ASP A 106 -12.521 19.459 8.756 1.00 2.30 O ATOM 0 H ASP A 106 -15.005 19.911 7.089 1.00 0.52 H new ATOM 0 HA ASP A 106 -16.103 19.045 9.708 1.00 0.50 H new ATOM 0 HB2 ASP A 106 -14.111 21.267 8.897 1.00 0.58 H new ATOM 0 HB3 ASP A 106 -14.595 20.956 10.553 1.00 0.58 H new ATOM 1646 N LYS A 107 -17.548 21.258 7.997 1.00 0.32 N ATOM 1647 CA LYS A 107 -18.501 22.295 7.919 1.00 0.25 C ATOM 1648 C LYS A 107 -19.842 21.581 7.678 1.00 0.23 C ATOM 1649 O LYS A 107 -19.965 20.443 7.223 1.00 0.30 O ATOM 1650 CB LYS A 107 -18.292 23.205 6.679 1.00 0.28 C ATOM 1651 CG LYS A 107 -17.005 23.987 6.711 1.00 0.47 C ATOM 1652 CD LYS A 107 -16.936 25.179 7.681 1.00 1.21 C ATOM 1653 CE LYS A 107 -15.880 26.258 7.327 1.00 1.65 C ATOM 1654 NZ LYS A 107 -14.595 25.891 7.937 1.00 2.27 N ATOM 0 H LYS A 107 -17.395 20.770 7.115 1.00 0.32 H new ATOM 0 HA LYS A 107 -18.440 22.908 8.818 1.00 0.25 H new ATOM 0 HB2 LYS A 107 -18.310 22.589 5.780 1.00 0.28 H new ATOM 0 HB3 LYS A 107 -19.128 23.901 6.605 1.00 0.28 H new ATOM 0 HG2 LYS A 107 -16.197 23.299 6.961 1.00 0.47 H new ATOM 0 HG3 LYS A 107 -16.808 24.357 5.705 1.00 0.47 H new ATOM 0 HD2 LYS A 107 -17.917 25.653 7.720 1.00 1.21 H new ATOM 0 HD3 LYS A 107 -16.725 24.801 8.681 1.00 1.21 H new ATOM 0 HE2 LYS A 107 -15.773 26.339 6.245 1.00 1.65 H new ATOM 0 HE3 LYS A 107 -16.203 27.234 7.689 1.00 1.65 H new ATOM 0 HZ1 LYS A 107 -13.882 26.611 7.703 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 -14.705 25.834 8.970 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 -14.288 24.968 7.570 1.00 2.27 H new ATOM 1668 N LEU A 108 -20.921 22.218 8.065 1.00 0.20 N ATOM 1669 CA LEU A 108 -22.263 21.657 8.026 1.00 0.19 C ATOM 1670 C LEU A 108 -23.055 22.431 6.977 1.00 0.20 C ATOM 1671 O LEU A 108 -22.853 23.640 6.881 1.00 0.24 O ATOM 1672 CB LEU A 108 -22.811 21.763 9.449 1.00 0.22 C ATOM 1673 CG LEU A 108 -22.335 20.653 10.414 1.00 0.29 C ATOM 1674 CD1 LEU A 108 -22.997 19.338 10.071 1.00 0.57 C ATOM 1675 CD2 LEU A 108 -20.831 20.354 10.494 1.00 0.60 C ATOM 0 H LEU A 108 -20.895 23.171 8.428 1.00 0.20 H new ATOM 0 HA LEU A 108 -22.312 20.609 7.732 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -22.525 22.730 9.862 1.00 0.22 H new ATOM 0 HB3 LEU A 108 -23.900 21.744 9.406 1.00 0.22 H new ATOM 0 HG LEU A 108 -22.617 21.072 11.380 1.00 0.29 H new ATOM 0 HD11 LEU A 108 -22.652 18.566 10.759 1.00 0.57 H new ATOM 0 HD12 LEU A 108 -24.079 19.442 10.156 1.00 0.57 H new ATOM 0 HD13 LEU A 108 -22.739 19.056 9.050 1.00 0.57 H new ATOM 0 HD21 LEU A 108 -20.657 19.553 11.213 1.00 0.60 H new ATOM 0 HD22 LEU A 108 -20.468 20.047 9.513 1.00 0.60 H new ATOM 0 HD23 LEU A 108 -20.298 21.250 10.813 1.00 0.60 H new ATOM 1687 N VAL A 109 -23.815 21.751 6.115 1.00 0.20 N ATOM 1688 CA VAL A 109 -24.400 22.377 4.904 1.00 0.22 C ATOM 1689 C VAL A 109 -25.821 22.016 4.936 1.00 0.22 C ATOM 1690 O VAL A 109 -26.166 20.857 5.060 1.00 0.29 O ATOM 1691 CB VAL A 109 -23.798 22.003 3.526 1.00 0.26 C ATOM 1692 CG1 VAL A 109 -24.414 22.708 2.285 1.00 0.80 C ATOM 1693 CG2 VAL A 109 -22.309 22.457 3.505 1.00 0.87 C ATOM 0 H VAL A 109 -24.046 20.764 6.225 1.00 0.20 H new ATOM 0 HA VAL A 109 -24.182 23.443 4.964 1.00 0.22 H new ATOM 0 HB VAL A 109 -23.984 20.932 3.442 1.00 0.26 H new ATOM 0 HG11 VAL A 109 -23.909 22.363 1.383 1.00 0.80 H new ATOM 0 HG12 VAL A 109 -25.476 22.469 2.220 1.00 0.80 H new ATOM 0 HG13 VAL A 109 -24.290 23.787 2.381 1.00 0.80 H new ATOM 0 HG21 VAL A 109 -21.865 22.203 2.543 1.00 0.87 H new ATOM 0 HG22 VAL A 109 -22.255 23.535 3.656 1.00 0.87 H new ATOM 0 HG23 VAL A 109 -21.763 21.951 4.301 1.00 0.87 H new ATOM 1703 N GLU A 110 -26.751 22.970 4.930 1.00 0.22 N ATOM 1704 CA GLU A 110 -28.192 22.691 4.733 1.00 0.25 C ATOM 1705 C GLU A 110 -28.602 22.935 3.286 1.00 0.28 C ATOM 1706 O GLU A 110 -28.162 23.935 2.720 1.00 0.52 O ATOM 1707 CB GLU A 110 -29.049 23.480 5.738 1.00 0.38 C ATOM 1708 CG GLU A 110 -30.512 23.802 5.364 1.00 0.52 C ATOM 1709 CD GLU A 110 -31.447 24.026 6.568 1.00 1.43 C ATOM 1710 OE1 GLU A 110 -31.384 23.242 7.545 1.00 2.07 O ATOM 1711 OE2 GLU A 110 -32.475 24.721 6.380 1.00 2.06 O ATOM 0 H GLU A 110 -26.538 23.959 5.060 1.00 0.22 H new ATOM 0 HA GLU A 110 -28.372 21.635 4.933 1.00 0.25 H new ATOM 0 HB2 GLU A 110 -29.061 22.921 6.674 1.00 0.38 H new ATOM 0 HB3 GLU A 110 -28.542 24.424 5.937 1.00 0.38 H new ATOM 0 HG2 GLU A 110 -30.525 24.695 4.739 1.00 0.52 H new ATOM 0 HG3 GLU A 110 -30.907 22.985 4.761 1.00 0.52 H new ATOM 1718 N VAL A 111 -29.573 22.163 2.781 1.00 0.23 N ATOM 1719 CA VAL A 111 -30.292 22.512 1.521 1.00 0.21 C ATOM 1720 C VAL A 111 -31.838 22.326 1.712 1.00 0.20 C ATOM 1721 O VAL A 111 -32.381 21.226 1.921 1.00 0.24 O ATOM 1722 CB VAL A 111 -29.740 21.726 0.370 1.00 0.24 C ATOM 1723 CG1 VAL A 111 -29.846 20.234 0.503 1.00 0.27 C ATOM 1724 CG2 VAL A 111 -30.241 22.287 -0.934 1.00 0.25 C ATOM 0 H VAL A 111 -29.887 21.294 3.214 1.00 0.23 H new ATOM 0 HA VAL A 111 -30.130 23.563 1.283 1.00 0.21 H new ATOM 0 HB VAL A 111 -28.659 21.861 0.384 1.00 0.24 H new ATOM 0 HG11 VAL A 111 -29.419 19.759 -0.380 1.00 0.27 H new ATOM 0 HG12 VAL A 111 -29.302 19.908 1.389 1.00 0.27 H new ATOM 0 HG13 VAL A 111 -30.894 19.951 0.596 1.00 0.27 H new ATOM 0 HG21 VAL A 111 -29.832 21.706 -1.761 1.00 0.25 H new ATOM 0 HG22 VAL A 111 -31.330 22.236 -0.958 1.00 0.25 H new ATOM 0 HG23 VAL A 111 -29.925 23.326 -1.029 1.00 0.25 H new ATOM 1734 N SER A 112 -32.573 23.426 1.705 1.00 0.19 N ATOM 1735 CA SER A 112 -33.941 23.530 2.229 1.00 0.20 C ATOM 1736 C SER A 112 -34.823 24.138 1.138 1.00 0.17 C ATOM 1737 O SER A 112 -34.349 24.978 0.382 1.00 0.17 O ATOM 1738 CB SER A 112 -33.853 24.406 3.483 1.00 0.27 C ATOM 1739 OG SER A 112 -34.694 24.011 4.543 1.00 0.87 O ATOM 0 H SER A 112 -32.229 24.307 1.323 1.00 0.19 H new ATOM 0 HA SER A 112 -34.381 22.570 2.498 1.00 0.20 H new ATOM 0 HB2 SER A 112 -32.822 24.406 3.837 1.00 0.27 H new ATOM 0 HB3 SER A 112 -34.096 25.433 3.209 1.00 0.27 H new ATOM 0 HG SER A 112 -35.307 24.743 4.764 1.00 0.87 H new ATOM 1745 N THR A 113 -36.086 23.752 0.964 1.00 0.17 N ATOM 1746 CA THR A 113 -36.905 24.225 -0.169 1.00 0.15 C ATOM 1747 C THR A 113 -38.348 24.437 0.195 1.00 0.13 C ATOM 1748 O THR A 113 -38.958 23.581 0.809 1.00 0.14 O ATOM 1749 CB THR A 113 -36.847 23.132 -1.289 1.00 0.19 C ATOM 1750 OG1 THR A 113 -35.523 22.779 -1.679 1.00 0.26 O ATOM 1751 CG2 THR A 113 -37.548 23.522 -2.622 1.00 0.17 C ATOM 0 H THR A 113 -36.572 23.111 1.591 1.00 0.17 H new ATOM 0 HA THR A 113 -36.502 25.185 -0.491 1.00 0.15 H new ATOM 0 HB THR A 113 -37.367 22.308 -0.800 1.00 0.19 H new ATOM 0 HG1 THR A 113 -35.560 22.093 -2.378 1.00 0.26 H new ATOM 0 HG21 THR A 113 -37.455 22.703 -3.335 1.00 0.17 H new ATOM 0 HG22 THR A 113 -38.603 23.721 -2.434 1.00 0.17 H new ATOM 0 HG23 THR A 113 -37.078 24.416 -3.032 1.00 0.17 H new ATOM 1759 N ILE A 114 -38.929 25.610 -0.075 1.00 0.12 N ATOM 1760 CA ILE A 114 -40.347 25.918 0.207 1.00 0.12 C ATOM 1761 C ILE A 114 -41.032 26.247 -1.107 1.00 0.14 C ATOM 1762 O ILE A 114 -40.557 27.122 -1.816 1.00 0.15 O ATOM 1763 CB ILE A 114 -40.558 27.114 1.168 1.00 0.14 C ATOM 1764 CG1 ILE A 114 -39.651 27.135 2.408 1.00 0.17 C ATOM 1765 CG2 ILE A 114 -42.026 27.160 1.628 1.00 0.16 C ATOM 1766 CD1 ILE A 114 -39.369 28.561 2.875 1.00 0.27 C ATOM 0 H ILE A 114 -38.426 26.388 -0.502 1.00 0.12 H new ATOM 0 HA ILE A 114 -40.765 25.039 0.698 1.00 0.12 H new ATOM 0 HB ILE A 114 -40.284 27.992 0.583 1.00 0.14 H new ATOM 0 HG12 ILE A 114 -40.124 26.574 3.214 1.00 0.17 H new ATOM 0 HG13 ILE A 114 -38.710 26.634 2.180 1.00 0.17 H new ATOM 0 HG21 ILE A 114 -42.169 28.003 2.304 1.00 0.16 H new ATOM 0 HG22 ILE A 114 -42.676 27.276 0.760 1.00 0.16 H new ATOM 0 HG23 ILE A 114 -42.274 26.234 2.146 1.00 0.16 H new ATOM 0 HD11 ILE A 114 -38.725 28.535 3.754 1.00 0.27 H new ATOM 0 HD12 ILE A 114 -38.873 29.114 2.077 1.00 0.27 H new ATOM 0 HD13 ILE A 114 -40.308 29.053 3.128 1.00 0.27 H new ATOM 1778 N GLY A 115 -42.157 25.618 -1.434 1.00 0.16 N ATOM 1779 CA GLY A 115 -43.031 26.132 -2.520 1.00 0.19 C ATOM 1780 C GLY A 115 -42.376 26.205 -3.918 1.00 0.21 C ATOM 1781 O GLY A 115 -42.670 27.089 -4.712 1.00 0.29 O ATOM 0 H GLY A 115 -42.493 24.768 -0.982 1.00 0.16 H new ATOM 0 HA2 GLY A 115 -43.914 25.497 -2.584 1.00 0.19 H new ATOM 0 HA3 GLY A 115 -43.375 27.129 -2.246 1.00 0.19 H new ATOM 1785 N GLY A 116 -41.365 25.364 -4.130 1.00 0.17 N ATOM 1786 CA GLY A 116 -40.340 25.346 -5.143 1.00 0.19 C ATOM 1787 C GLY A 116 -39.213 26.270 -5.138 1.00 0.18 C ATOM 1788 O GLY A 116 -38.574 26.430 -6.166 1.00 0.21 O ATOM 0 H GLY A 116 -41.240 24.573 -3.499 1.00 0.17 H new ATOM 0 HA2 GLY A 116 -39.918 24.341 -5.141 1.00 0.19 H new ATOM 0 HA3 GLY A 116 -40.846 25.477 -6.100 1.00 0.19 H new ATOM 1792 N VAL A 117 -39.055 27.144 -4.138 1.00 0.15 N ATOM 1793 CA VAL A 117 -37.903 28.062 -3.992 1.00 0.15 C ATOM 1794 C VAL A 117 -36.899 27.556 -2.960 1.00 0.14 C ATOM 1795 O VAL A 117 -37.304 26.948 -1.969 1.00 0.17 O ATOM 1796 CB VAL A 117 -38.325 29.536 -3.803 1.00 0.14 C ATOM 1797 CG1 VAL A 117 -38.624 29.921 -2.348 1.00 0.14 C ATOM 1798 CG2 VAL A 117 -37.229 30.478 -4.315 1.00 0.16 C ATOM 0 H VAL A 117 -39.737 27.241 -3.386 1.00 0.15 H new ATOM 0 HA VAL A 117 -37.369 28.059 -4.942 1.00 0.15 H new ATOM 0 HB VAL A 117 -39.247 29.639 -4.375 1.00 0.14 H new ATOM 0 HG11 VAL A 117 -38.913 30.971 -2.301 1.00 0.14 H new ATOM 0 HG12 VAL A 117 -39.438 29.304 -1.968 1.00 0.14 H new ATOM 0 HG13 VAL A 117 -37.734 29.762 -1.739 1.00 0.14 H new ATOM 0 HG21 VAL A 117 -37.543 31.512 -4.174 1.00 0.16 H new ATOM 0 HG22 VAL A 117 -36.308 30.300 -3.760 1.00 0.16 H new ATOM 0 HG23 VAL A 117 -37.056 30.293 -5.375 1.00 0.16 H new ATOM 1808 N THR A 118 -35.590 27.655 -3.212 1.00 0.13 N ATOM 1809 CA THR A 118 -34.533 26.949 -2.441 1.00 0.14 C ATOM 1810 C THR A 118 -33.696 27.840 -1.517 1.00 0.18 C ATOM 1811 O THR A 118 -33.492 29.019 -1.810 1.00 0.26 O ATOM 1812 CB THR A 118 -33.658 26.058 -3.350 1.00 0.20 C ATOM 1813 OG1 THR A 118 -34.486 25.342 -4.236 1.00 0.26 O ATOM 1814 CG2 THR A 118 -32.780 25.023 -2.647 1.00 0.27 C ATOM 0 H THR A 118 -35.218 28.233 -3.966 1.00 0.13 H new ATOM 0 HA THR A 118 -35.078 26.298 -1.757 1.00 0.14 H new ATOM 0 HB THR A 118 -32.985 26.764 -3.836 1.00 0.20 H new ATOM 0 HG1 THR A 118 -33.934 24.777 -4.815 1.00 0.26 H new ATOM 0 HG21 THR A 118 -32.214 24.461 -3.390 1.00 0.27 H new ATOM 0 HG22 THR A 118 -32.090 25.529 -1.973 1.00 0.27 H new ATOM 0 HG23 THR A 118 -33.409 24.340 -2.076 1.00 0.27 H new ATOM 1822 N TYR A 119 -33.149 27.261 -0.446 1.00 0.18 N ATOM 1823 CA TYR A 119 -32.209 27.888 0.480 1.00 0.24 C ATOM 1824 C TYR A 119 -31.023 26.969 0.744 1.00 0.23 C ATOM 1825 O TYR A 119 -31.261 25.792 0.998 1.00 0.29 O ATOM 1826 CB TYR A 119 -32.970 28.283 1.753 1.00 0.43 C ATOM 1827 CG TYR A 119 -32.147 28.666 2.969 1.00 0.31 C ATOM 1828 CD1 TYR A 119 -31.446 27.690 3.710 1.00 0.44 C ATOM 1829 CD2 TYR A 119 -32.146 30.006 3.401 1.00 0.27 C ATOM 1830 CE1 TYR A 119 -30.684 28.066 4.830 1.00 0.51 C ATOM 1831 CE2 TYR A 119 -31.400 30.381 4.531 1.00 0.33 C ATOM 1832 CZ TYR A 119 -30.655 29.414 5.230 1.00 0.44 C ATOM 1833 OH TYR A 119 -29.918 29.797 6.296 1.00 0.60 O ATOM 0 H TYR A 119 -33.361 26.296 -0.190 1.00 0.18 H new ATOM 0 HA TYR A 119 -31.787 28.795 0.048 1.00 0.24 H new ATOM 0 HB2 TYR A 119 -33.621 29.122 1.509 1.00 0.43 H new ATOM 0 HB3 TYR A 119 -33.615 27.450 2.032 1.00 0.43 H new ATOM 0 HD1 TYR A 119 -31.495 26.652 3.416 1.00 0.44 H new ATOM 0 HD2 TYR A 119 -32.719 30.747 2.863 1.00 0.27 H new ATOM 0 HE1 TYR A 119 -30.124 27.324 5.380 1.00 0.51 H new ATOM 0 HE2 TYR A 119 -31.399 31.409 4.862 1.00 0.33 H new ATOM 0 HH TYR A 119 -30.477 29.788 7.101 1.00 0.60 H new ATOM 1843 N GLU A 120 -29.770 27.432 0.683 1.00 0.33 N ATOM 1844 CA GLU A 120 -28.675 26.431 0.844 1.00 0.38 C ATOM 1845 C GLU A 120 -27.490 27.169 1.417 1.00 0.55 C ATOM 1846 O GLU A 120 -26.953 28.107 0.812 1.00 0.78 O ATOM 1847 CB GLU A 120 -28.291 25.872 -0.581 1.00 0.46 C ATOM 1848 CG GLU A 120 -26.950 24.984 -0.636 1.00 0.57 C ATOM 1849 CD GLU A 120 -26.447 24.813 -2.057 1.00 0.68 C ATOM 1850 OE1 GLU A 120 -26.101 25.815 -2.735 1.00 0.88 O ATOM 1851 OE2 GLU A 120 -26.324 23.653 -2.594 1.00 0.73 O ATOM 0 H GLU A 120 -29.488 28.401 0.537 1.00 0.33 H new ATOM 0 HA GLU A 120 -28.977 25.606 1.490 1.00 0.38 H new ATOM 0 HB2 GLU A 120 -29.121 25.270 -0.952 1.00 0.46 H new ATOM 0 HB3 GLU A 120 -28.177 26.714 -1.264 1.00 0.46 H new ATOM 0 HG2 GLU A 120 -26.176 25.456 -0.031 1.00 0.57 H new ATOM 0 HG3 GLU A 120 -27.144 24.005 -0.199 1.00 0.57 H new ATOM 1858 N ARG A 121 -27.010 26.749 2.629 1.00 0.54 N ATOM 1859 CA ARG A 121 -26.106 27.573 3.413 1.00 0.74 C ATOM 1860 C ARG A 121 -25.312 26.741 4.367 1.00 0.44 C ATOM 1861 O ARG A 121 -25.563 25.594 4.694 1.00 0.31 O ATOM 1862 CB ARG A 121 -26.813 28.749 4.036 1.00 1.17 C ATOM 1863 CG ARG A 121 -26.840 30.023 3.233 1.00 2.28 C ATOM 1864 CD ARG A 121 -25.505 30.541 2.666 1.00 3.33 C ATOM 1865 NE ARG A 121 -25.300 30.171 1.246 1.00 4.09 N ATOM 1866 CZ ARG A 121 -24.252 30.405 0.505 1.00 5.25 C ATOM 1867 NH1 ARG A 121 -23.205 31.037 0.942 1.00 5.79 N ATOM 1868 NH2 ARG A 121 -24.227 29.915 -0.733 1.00 6.09 N ATOM 0 H ARG A 121 -27.245 25.854 3.057 1.00 0.54 H new ATOM 0 HA ARG A 121 -25.373 28.023 2.743 1.00 0.74 H new ATOM 0 HB2 ARG A 121 -27.842 28.456 4.245 1.00 1.17 H new ATOM 0 HB3 ARG A 121 -26.341 28.961 4.995 1.00 1.17 H new ATOM 0 HG2 ARG A 121 -27.525 29.878 2.398 1.00 2.28 H new ATOM 0 HG3 ARG A 121 -27.264 30.806 3.861 1.00 2.28 H new ATOM 0 HD2 ARG A 121 -25.472 31.626 2.762 1.00 3.33 H new ATOM 0 HD3 ARG A 121 -24.684 30.143 3.262 1.00 3.33 H new ATOM 0 HE ARG A 121 -26.069 29.675 0.795 1.00 4.09 H new ATOM 0 HH11 ARG A 121 -23.178 31.375 1.904 1.00 5.79 H new ATOM 0 HH12 ARG A 121 -22.410 31.195 0.323 1.00 5.79 H new ATOM 0 HH21 ARG A 121 -25.016 29.371 -1.082 1.00 6.09 H new ATOM 0 HH22 ARG A 121 -23.419 30.084 -1.332 1.00 6.09 H new ATOM 1882 N VAL A 122 -24.158 27.314 4.730 1.00 0.52 N ATOM 1883 CA VAL A 122 -23.006 26.653 5.375 1.00 0.38 C ATOM 1884 C VAL A 122 -22.772 27.144 6.804 1.00 0.34 C ATOM 1885 O VAL A 122 -22.723 28.356 7.013 1.00 0.42 O ATOM 1886 CB VAL A 122 -21.722 26.815 4.527 1.00 0.44 C ATOM 1887 CG1 VAL A 122 -20.587 25.902 5.014 1.00 0.86 C ATOM 1888 CG2 VAL A 122 -21.960 26.574 3.028 1.00 0.89 C ATOM 0 H VAL A 122 -23.989 28.308 4.575 1.00 0.52 H new ATOM 0 HA VAL A 122 -23.252 25.593 5.436 1.00 0.38 H new ATOM 0 HB VAL A 122 -21.424 27.855 4.661 1.00 0.44 H new ATOM 0 HG11 VAL A 122 -19.707 26.051 4.389 1.00 0.86 H new ATOM 0 HG12 VAL A 122 -20.343 26.145 6.048 1.00 0.86 H new ATOM 0 HG13 VAL A 122 -20.905 24.861 4.951 1.00 0.86 H new ATOM 0 HG21 VAL A 122 -21.023 26.702 2.486 1.00 0.89 H new ATOM 0 HG22 VAL A 122 -22.331 25.560 2.877 1.00 0.89 H new ATOM 0 HG23 VAL A 122 -22.695 27.289 2.657 1.00 0.89 H new ATOM 1898 N SER A 123 -22.398 26.258 7.737 1.00 0.27 N ATOM 1899 CA SER A 123 -22.115 26.584 9.095 1.00 0.28 C ATOM 1900 C SER A 123 -20.830 25.851 9.501 1.00 0.27 C ATOM 1901 O SER A 123 -20.478 24.752 9.025 1.00 0.36 O ATOM 1902 CB SER A 123 -23.300 26.103 9.929 1.00 0.31 C ATOM 1903 OG SER A 123 -23.356 26.539 11.292 1.00 1.13 O ATOM 0 H SER A 123 -22.287 25.264 7.534 1.00 0.27 H new ATOM 0 HA SER A 123 -21.971 27.654 9.244 1.00 0.28 H new ATOM 0 HB2 SER A 123 -24.216 26.424 9.433 1.00 0.31 H new ATOM 0 HB3 SER A 123 -23.299 25.013 9.922 1.00 0.31 H new ATOM 0 HG SER A 123 -23.662 25.801 11.859 1.00 1.13 H new ATOM 1909 N LYS A 124 -20.023 26.515 10.343 1.00 0.26 N ATOM 1910 CA LYS A 124 -18.749 25.983 10.878 1.00 0.28 C ATOM 1911 C LYS A 124 -18.980 25.172 12.158 1.00 0.25 C ATOM 1912 O LYS A 124 -19.861 25.525 12.944 1.00 0.28 O ATOM 1913 CB LYS A 124 -17.708 27.119 11.058 1.00 0.36 C ATOM 1914 CG LYS A 124 -18.179 28.282 11.951 1.00 0.44 C ATOM 1915 CD LYS A 124 -17.116 29.358 12.239 1.00 0.83 C ATOM 1916 CE LYS A 124 -17.707 30.327 13.276 1.00 1.29 C ATOM 1917 NZ LYS A 124 -16.957 31.588 13.449 1.00 1.76 N ATOM 0 H LYS A 124 -20.237 27.454 10.680 1.00 0.26 H new ATOM 0 HA LYS A 124 -18.329 25.289 10.150 1.00 0.28 H new ATOM 0 HB2 LYS A 124 -16.798 26.696 11.484 1.00 0.36 H new ATOM 0 HB3 LYS A 124 -17.447 27.514 10.076 1.00 0.36 H new ATOM 0 HG2 LYS A 124 -19.037 28.759 11.477 1.00 0.44 H new ATOM 0 HG3 LYS A 124 -18.526 27.873 12.900 1.00 0.44 H new ATOM 0 HD2 LYS A 124 -16.202 28.902 12.618 1.00 0.83 H new ATOM 0 HD3 LYS A 124 -16.851 29.890 11.325 1.00 0.83 H new ATOM 0 HE2 LYS A 124 -18.730 30.567 12.986 1.00 1.29 H new ATOM 0 HE3 LYS A 124 -17.760 29.818 14.238 1.00 1.29 H new ATOM 0 HZ1 LYS A 124 -17.111 31.954 14.410 1.00 1.76 H new ATOM 0 HZ2 LYS A 124 -15.942 31.411 13.304 1.00 1.76 H new ATOM 0 HZ3 LYS A 124 -17.289 32.287 12.755 1.00 1.76 H new ATOM 1931 N ARG A 125 -18.163 24.134 12.409 1.00 0.23 N ATOM 1932 CA ARG A 125 -18.142 23.412 13.703 1.00 0.21 C ATOM 1933 C ARG A 125 -16.908 23.830 14.483 1.00 0.23 C ATOM 1934 O ARG A 125 -15.839 23.925 13.882 1.00 0.26 O ATOM 1935 CB ARG A 125 -18.251 21.881 13.517 1.00 0.26 C ATOM 1936 CG ARG A 125 -16.970 21.052 13.261 1.00 0.40 C ATOM 1937 CD ARG A 125 -17.384 19.629 12.825 1.00 0.65 C ATOM 1938 NE ARG A 125 -16.273 18.747 12.388 1.00 1.02 N ATOM 1939 CZ ARG A 125 -16.422 17.613 11.714 1.00 1.53 C ATOM 1940 NH1 ARG A 125 -17.595 17.118 11.437 1.00 2.06 N ATOM 1941 NH2 ARG A 125 -15.415 17.000 11.174 1.00 2.00 N ATOM 0 H ARG A 125 -17.499 23.769 11.726 1.00 0.23 H new ATOM 0 HA ARG A 125 -19.023 23.688 14.283 1.00 0.21 H new ATOM 0 HB2 ARG A 125 -18.729 21.477 14.409 1.00 0.26 H new ATOM 0 HB3 ARG A 125 -18.929 21.701 12.683 1.00 0.26 H new ATOM 0 HG2 ARG A 125 -16.363 21.523 12.488 1.00 0.40 H new ATOM 0 HG3 ARG A 125 -16.360 21.009 14.164 1.00 0.40 H new ATOM 0 HD2 ARG A 125 -17.901 19.149 13.656 1.00 0.65 H new ATOM 0 HD3 ARG A 125 -18.102 19.712 12.009 1.00 0.65 H new ATOM 0 HE ARG A 125 -15.323 19.034 12.623 1.00 1.02 H new ATOM 0 HH11 ARG A 125 -18.439 17.605 11.740 1.00 2.06 H new ATOM 0 HH12 ARG A 125 -17.670 16.244 10.917 1.00 2.06 H new ATOM 0 HH21 ARG A 125 -14.476 17.388 11.261 1.00 2.00 H new ATOM 0 HH22 ARG A 125 -15.562 16.130 10.662 1.00 2.00 H new ATOM 1955 N LEU A 126 -17.012 23.947 15.809 1.00 0.25 N ATOM 1956 CA LEU A 126 -15.898 24.402 16.664 1.00 0.28 C ATOM 1957 C LEU A 126 -15.992 23.960 18.143 1.00 0.31 C ATOM 1958 O LEU A 126 -15.409 24.587 19.024 1.00 0.41 O ATOM 1959 CB LEU A 126 -15.667 25.925 16.488 1.00 0.30 C ATOM 1960 CG LEU A 126 -16.827 26.919 16.695 1.00 0.29 C ATOM 1961 CD1 LEU A 126 -17.864 26.884 15.567 1.00 0.28 C ATOM 1962 CD2 LEU A 126 -17.552 26.761 18.030 1.00 0.30 C ATOM 0 H LEU A 126 -17.865 23.731 16.325 1.00 0.25 H new ATOM 0 HA LEU A 126 -15.007 23.883 16.311 1.00 0.28 H new ATOM 0 HB2 LEU A 126 -14.871 26.212 17.175 1.00 0.30 H new ATOM 0 HB3 LEU A 126 -15.287 26.079 15.478 1.00 0.30 H new ATOM 0 HG LEU A 126 -16.326 27.887 16.690 1.00 0.29 H new ATOM 0 HD11 LEU A 126 -18.653 27.607 15.775 1.00 0.28 H new ATOM 0 HD12 LEU A 126 -17.382 27.135 14.622 1.00 0.28 H new ATOM 0 HD13 LEU A 126 -18.296 25.885 15.501 1.00 0.28 H new ATOM 0 HD21 LEU A 126 -18.354 27.496 18.098 1.00 0.30 H new ATOM 0 HD22 LEU A 126 -17.973 25.758 18.099 1.00 0.30 H new ATOM 0 HD23 LEU A 126 -16.847 26.916 18.847 1.00 0.30 H new ATOM 1974 N ALA A 127 -16.686 22.856 18.440 1.00 0.40 N ATOM 1975 CA ALA A 127 -16.650 22.254 19.779 1.00 0.44 C ATOM 1976 C ALA A 127 -15.232 21.779 20.163 1.00 0.71 C ATOM 1977 O ALA A 127 -14.789 20.725 19.701 1.00 1.34 O ATOM 1978 CB ALA A 127 -17.674 21.114 19.845 1.00 0.44 C ATOM 1979 OXT ALA A 127 -14.531 22.441 20.929 1.00 30.00 O ATOM 0 H ALA A 127 -17.279 22.361 17.773 1.00 0.40 H new ATOM 0 HA ALA A 127 -16.918 23.013 20.514 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -17.652 20.663 20.837 1.00 0.44 H new ATOM 0 HB2 ALA A 127 -18.671 21.508 19.647 1.00 0.44 H new ATOM 0 HB3 ALA A 127 -17.428 20.360 19.098 1.00 0.44 H new TER 1985 ALA A 127 HETATM 1986 C GCH A 201 -27.576 18.245 12.759 1.00 0.06 C HETATM 1987 O GCH A 201 -28.868 17.782 13.190 1.00 -0.39 O HETATM 1988 C1 GCH A 201 -27.713 19.124 11.520 1.00 -0.02 C HETATM 1989 C2 GCH A 201 -26.628 20.104 11.332 1.00 -0.03 C HETATM 1990 C3 GCH A 201 -26.500 21.114 12.377 1.00 -0.03 C HETATM 1991 C4 GCH A 201 -27.112 20.519 13.712 1.00 -0.04 C HETATM 1992 C5 GCH A 201 -26.832 19.010 13.910 1.00 -0.03 C HETATM 1993 C6 GCH A 201 -24.961 21.510 12.588 1.00 -0.06 C HETATM 1994 C7 GCH A 201 -26.761 20.626 9.900 1.00 -0.02 C HETATM 1995 C8 GCH A 201 -27.502 21.935 9.591 1.00 0.06 C HETATM 1996 O1 GCH A 201 -28.863 21.623 9.551 1.00 -0.39 O HETATM 1997 C9 GCH A 201 -27.116 22.928 10.646 1.00 -0.01 C HETATM 1998 C10 GCH A 201 -27.333 22.374 12.057 1.00 -0.03 C HETATM 1999 C11 GCH A 201 -27.058 23.504 13.119 1.00 -0.02 C HETATM 2000 C12 GCH A 201 -27.776 24.884 12.946 1.00 0.06 C HETATM 2001 C13 GCH A 201 -27.785 25.348 11.472 1.00 0.00 C HETATM 2002 C14 GCH A 201 -28.125 24.130 10.585 1.00 -0.03 C HETATM 2003 C15 GCH A 201 -28.267 24.846 9.228 1.00 -0.05 C HETATM 2004 C16 GCH A 201 -29.022 26.115 9.541 1.00 -0.05 C HETATM 2005 C17 GCH A 201 -28.948 26.370 11.043 1.00 -0.03 C HETATM 2006 C18 GCH A 201 -28.927 27.839 11.508 1.00 -0.04 C HETATM 2007 C19 GCH A 201 -28.268 28.032 12.902 1.00 -0.06 C HETATM 2008 C20 GCH A 201 -30.434 28.250 11.768 1.00 -0.04 C HETATM 2009 C21 GCH A 201 -31.314 28.564 10.579 1.00 0.07 C HETATM 2010 C22 GCH A 201 -30.970 29.746 9.748 1.00 0.38 C HETATM 2011 N GCH A 201 -30.250 30.779 10.293 1.00 -0.21 N HETATM 2012 CA GCH A 201 -29.826 31.986 9.585 1.00 0.19 C HETATM 2013 O2 GCH A 201 -31.450 29.791 8.625 1.00 -0.22 O HETATM 2014 C23 GCH A 201 -26.406 25.901 11.058 1.00 -0.06 C HETATM 2015 O3 GCH A 201 -29.029 24.900 13.667 1.00 -0.39 O HETATM 2016 C24 GCH A 201 -28.794 32.600 10.518 1.00 0.12 C HETATM 2017 O4 GCH A 201 -28.297 31.769 11.359 1.00 -0.80 O HETATM 2018 O5 GCH A 201 -28.599 33.837 10.401 1.00 -0.31 O HETATM 0 H9 GCH A 201 -25.660 19.618 11.453 1.00 -0.03 H new HETATM 0 H8 GCH A 201 -24.394 20.626 12.879 1.00 -0.06 H new HETATM 0 H7 GCH A 201 -24.557 21.910 11.658 1.00 -0.06 H new HETATM 0 H6 GCH A 201 -24.883 22.264 13.371 1.00 -0.06 H new HETATM 0 H5 GCH A 201 -26.708 21.068 14.562 1.00 -0.04 H new HETATM 0 H43 GCH A 201 -27.328 31.905 11.420 1.00 -0.80 H new HETATM 0 H42 GCH A 201 -27.328 23.111 14.099 1.00 -0.02 H new HETATM 0 H41 GCH A 201 -25.984 23.689 13.135 1.00 -0.02 H new HETATM 0 H40 GCH A 201 -27.201 25.677 13.425 1.00 0.06 H new HETATM 0 H4 GCH A 201 -28.190 20.682 13.711 1.00 -0.04 H new HETATM 0 H39 GCH A 201 -29.654 24.269 13.251 1.00 -0.39 H new HETATM 0 H38 GCH A 201 -26.150 26.751 11.690 1.00 -0.06 H new HETATM 0 H37 GCH A 201 -25.652 25.123 11.174 1.00 -0.06 H new HETATM 0 H36 GCH A 201 -26.440 26.220 10.016 1.00 -0.06 H new HETATM 0 H35 GCH A 201 -29.009 23.570 10.892 1.00 -0.03 H new HETATM 0 H34 GCH A 201 -27.292 25.063 8.791 1.00 -0.05 H new HETATM 0 H33 GCH A 201 -28.808 24.230 8.510 1.00 -0.05 H new HETATM 0 H32 GCH A 201 -28.593 26.954 8.994 1.00 -0.05 H new HETATM 0 H31 GCH A 201 -30.061 26.025 9.224 1.00 -0.05 H new HETATM 0 H30 GCH A 201 -29.865 26.170 11.597 1.00 -0.03 H new HETATM 0 H3 GCH A 201 -27.187 18.678 14.885 1.00 -0.03 H new HETATM 0 H29 GCH A 201 -28.387 28.407 10.750 1.00 -0.04 H new HETATM 0 H28 GCH A 201 -30.906 27.441 12.325 1.00 -0.04 H new HETATM 0 H27 GCH A 201 -30.431 29.125 12.418 1.00 -0.04 H new HETATM 0 H26 GCH A 201 -31.320 27.689 9.929 1.00 0.07 H new HETATM 0 H25 GCH A 201 -32.332 28.698 10.944 1.00 0.07 H new HETATM 0 H24 GCH A 201 -29.988 30.698 11.276 1.00 -0.21 H new HETATM 0 H23 GCH A 201 -29.397 31.750 8.611 1.00 0.19 H new HETATM 0 H22 GCH A 201 -30.662 32.663 9.410 1.00 0.19 H new HETATM 0 H21 GCH A 201 -28.820 27.459 13.648 1.00 -0.06 H new HETATM 0 H20 GCH A 201 -27.236 27.684 12.868 1.00 -0.06 H new HETATM 0 H2 GCH A 201 -25.761 18.810 13.876 1.00 -0.03 H new HETATM 0 H19 GCH A 201 -28.286 29.088 13.170 1.00 -0.06 H new HETATM 0 H18 GCH A 201 -25.750 20.733 9.506 1.00 -0.02 H new HETATM 0 H17 GCH A 201 -27.248 19.842 9.320 1.00 -0.02 H new HETATM 0 H16 GCH A 201 -27.246 22.387 8.633 1.00 0.06 H new HETATM 0 H15 GCH A 201 -26.073 23.187 10.467 1.00 -0.01 H new HETATM 0 H14 GCH A 201 -28.374 22.054 12.105 1.00 -0.03 H new HETATM 0 H13 GCH A 201 -29.180 21.423 10.457 1.00 -0.39 H new HETATM 0 H12 GCH A 201 -26.973 17.375 12.500 1.00 0.06 H new HETATM 0 H11 GCH A 201 -27.760 18.482 10.640 1.00 -0.02 H new HETATM 0 H10 GCH A 201 -28.661 19.659 11.575 1.00 -0.02 H new HETATM 0 H1 GCH A 201 -29.039 18.092 14.104 1.00 -0.39 H new HETATM 2061 C1 CHO A 202 -34.183 16.832 9.993 1.00 -0.04 C HETATM 2062 C2 CHO A 202 -32.699 17.280 9.832 1.00 -0.03 C HETATM 2063 C3 CHO A 202 -31.978 16.987 11.159 1.00 0.06 C HETATM 2064 O3 CHO A 202 -30.629 17.337 10.916 1.00 -0.39 O HETATM 2065 C4 CHO A 202 -32.497 17.854 12.270 1.00 -0.02 C HETATM 2066 C5 CHO A 202 -34.007 17.572 12.542 1.00 -0.03 C HETATM 2067 C6 CHO A 202 -34.501 18.464 13.660 1.00 -0.02 C HETATM 2068 C7 CHO A 202 -35.003 19.837 13.255 1.00 0.06 C HETATM 2069 O7 CHO A 202 -33.885 20.688 13.322 1.00 -0.39 O HETATM 2070 C8 CHO A 202 -35.652 19.888 11.898 1.00 -0.01 C HETATM 2071 C9 CHO A 202 -35.085 19.085 10.833 1.00 -0.03 C HETATM 2072 C10 CHO A 202 -34.856 17.644 11.188 1.00 -0.03 C HETATM 2073 C11 CHO A 202 -35.928 19.238 9.531 1.00 -0.02 C HETATM 2074 C12 CHO A 202 -36.029 20.675 9.025 1.00 0.06 C HETATM 2075 C13 CHO A 202 -36.568 21.552 10.163 1.00 0.00 C HETATM 2076 C14 CHO A 202 -35.635 21.373 11.398 1.00 -0.03 C HETATM 2077 C15 CHO A 202 -36.178 22.439 12.346 1.00 -0.05 C HETATM 2078 C16 CHO A 202 -36.680 23.506 11.364 1.00 -0.05 C HETATM 2079 C17 CHO A 202 -36.297 23.039 9.988 1.00 -0.03 C HETATM 2080 C18 CHO A 202 -38.015 21.139 10.463 1.00 -0.06 C HETATM 2081 C19 CHO A 202 -36.240 16.988 11.391 1.00 -0.06 C HETATM 2082 C20 CHO A 202 -36.993 23.620 8.789 1.00 -0.04 C HETATM 2083 C21 CHO A 202 -36.250 24.854 8.303 1.00 -0.06 C HETATM 2084 C22 CHO A 202 -38.494 23.981 8.943 1.00 -0.04 C HETATM 2085 C23 CHO A 202 -38.806 25.406 9.550 1.00 0.07 C HETATM 2086 C24 CHO A 202 -40.280 25.703 9.772 1.00 0.38 C HETATM 2087 O24 CHO A 202 -41.168 25.082 9.149 1.00 -0.22 O HETATM 2088 N25 CHO A 202 -40.661 26.626 10.737 1.00 -0.21 N HETATM 2089 C26 CHO A 202 -42.024 26.946 11.043 1.00 0.19 C HETATM 2090 C27 CHO A 202 -42.083 27.986 12.187 1.00 0.12 C HETATM 2091 OT1 CHO A 202 -40.961 27.991 12.870 1.00 -0.80 O HETATM 2092 OT2 CHO A 202 -43.143 28.668 12.351 1.00 -0.31 O HETATM 0 H262 CHO A 202 -42.521 27.341 10.157 1.00 0.19 H new HETATM 0 H261 CHO A 202 -42.561 26.043 11.334 1.00 0.19 H new HETATM 0 H232 CHO A 202 -38.285 25.500 10.503 1.00 0.07 H new HETATM 0 H231 CHO A 202 -38.394 26.165 8.885 1.00 0.07 H new HETATM 0 H222 CHO A 202 -38.965 23.915 7.962 1.00 -0.04 H new HETATM 0 H221 CHO A 202 -38.965 23.228 9.575 1.00 -0.04 H new HETATM 0 H213 CHO A 202 -36.224 25.599 9.098 1.00 -0.06 H new HETATM 0 H212 CHO A 202 -35.231 24.581 8.028 1.00 -0.06 H new HETATM 0 H211 CHO A 202 -36.762 25.268 7.434 1.00 -0.06 H new HETATM 0 H193 CHO A 202 -36.820 17.071 10.472 1.00 -0.06 H new HETATM 0 H192 CHO A 202 -36.110 15.936 11.644 1.00 -0.06 H new HETATM 0 H191 CHO A 202 -36.767 17.493 12.200 1.00 -0.06 H new HETATM 0 H183 CHO A 202 -38.625 21.277 9.570 1.00 -0.06 H new HETATM 0 H182 CHO A 202 -38.040 20.091 10.761 1.00 -0.06 H new HETATM 0 H181 CHO A 202 -38.409 21.756 11.271 1.00 -0.06 H new HETATM 0 H162 CHO A 202 -37.760 23.629 11.445 1.00 -0.05 H new HETATM 0 H161 CHO A 202 -36.232 24.475 11.583 1.00 -0.05 H new HETATM 0 H152 CHO A 202 -36.979 22.055 12.977 1.00 -0.05 H new HETATM 0 H151 CHO A 202 -35.406 22.826 13.011 1.00 -0.05 H new HETATM 0 H122 CHO A 202 -35.052 21.033 8.701 1.00 0.06 H new HETATM 0 H121 CHO A 202 -36.690 20.727 8.160 1.00 0.06 H new HETATM 0 H112 CHO A 202 -35.488 18.618 8.750 1.00 -0.02 H new HETATM 0 H111 CHO A 202 -36.932 18.856 9.713 1.00 -0.02 H new HETATM 0 HOT CHO A 202 -42.906 29.592 12.575 1.00 -0.31 H new HETATM 0 HO7 CHO A 202 -33.085 20.162 13.531 1.00 -0.39 H new HETATM 0 HO3 CHO A 202 -30.167 17.471 11.770 1.00 -0.39 H new HETATM 0 HN CHO A 202 -39.927 27.105 11.259 1.00 -0.21 H new HETATM 0 H9 CHO A 202 -34.084 19.480 10.659 1.00 -0.03 H new HETATM 0 H8 CHO A 202 -36.639 19.462 12.078 1.00 -0.01 H new HETATM 0 H7 CHO A 202 -35.802 20.143 13.930 1.00 0.06 H new HETATM 0 H62 CHO A 202 -35.306 17.946 14.180 1.00 -0.02 H new HETATM 0 H61 CHO A 202 -33.690 18.594 14.377 1.00 -0.02 H new HETATM 0 H5 CHO A 202 -34.146 16.550 12.895 1.00 -0.03 H new HETATM 0 H42 CHO A 202 -31.921 17.672 13.177 1.00 -0.02 H new HETATM 0 H41 CHO A 202 -32.361 18.904 12.011 1.00 -0.02 H new HETATM 0 H3 CHO A 202 -32.120 15.949 11.460 1.00 0.06 H new HETATM 0 H22 CHO A 202 -32.224 16.743 9.011 1.00 -0.03 H new HETATM 0 H21 CHO A 202 -32.643 18.342 9.592 1.00 -0.03 H new HETATM 0 H20 CHO A 202 -36.973 22.801 8.070 1.00 -0.04 H new HETATM 0 H17 CHO A 202 -35.287 23.355 9.725 1.00 -0.03 H new HETATM 0 H14 CHO A 202 -34.568 21.522 11.235 1.00 -0.03 H new HETATM 0 H12 CHO A 202 -34.730 17.008 9.066 1.00 -0.04 H new HETATM 0 H11 CHO A 202 -34.231 15.762 10.194 1.00 -0.04 H new