USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 929 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 927 HIS : no HE2:sc= -1.09 K(o=0.096,f=-4!) USER MOD Set 1.2: A1028 LYS NZ :NH3+ -169:sc= 1.18 (180deg=0.813) USER MOD Set 2.1: A 937 ASN : amide:sc= 0.616! C(o=1.6!,f=-8!) USER MOD Set 2.2: A 954 THR OG1 : rot 150:sc= 0.944 USER MOD Set 3.1: A 936 GLN : amide:sc= 0.343 K(o=0.55,f=-3.9!) USER MOD Set 3.2: A 953 TYR OH : rot 48:sc= 0.211 USER MOD Single : A 922 THR OG1 : rot 180:sc= 0 USER MOD Single : A 928 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 931 THR OG1 : rot 180:sc= 0 USER MOD Single : A 935 TYR OH : rot 180:sc= 0.789 USER MOD Single : A 939 SER OG : rot 170:sc= -1.89! USER MOD Single : A 941 TYR OH : rot 180:sc= 0 USER MOD Single : A 947 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0524) USER MOD Single : A 952 THR OG1 : rot 180:sc= 0 USER MOD Single : A 957 ASN : amide:sc= -4.67! C(o=-4.7!,f=-3.3!) USER MOD Single : A 960 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 963 SER OG : rot 180:sc= 0 USER MOD Single : A 965 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 968 THR OG1 : rot 180:sc= 0 USER MOD Single : A 969 CYS SG : rot -118:sc= 0.325 USER MOD Single : A 981 SER OG : rot 180:sc= 0 USER MOD Single : A 982 TYR OH : rot 180:sc= 0 USER MOD Single : A 985 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.44) USER MOD Single : A 991 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 995 TYR OH : rot -140:sc= -0.948 USER MOD Single : A 998 THR OG1 : rot 180:sc= -0.682 USER MOD Single : A1003 HIS : no HD1:sc= -0.0838 X(o=-0.084,f=0) USER MOD Single : A1004 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1006 LYS NZ :NH3+ 165:sc= 1.26 (180deg=1.25) USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1013 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1014 MET CE :methyl 160:sc= -0.162 (180deg=-0.756) USER MOD Single : A1015 TYR OH : rot 180:sc= 0 USER MOD Single : A1016 HIS : no HD1:sc= -4.97! C(o=-5!,f=-10!) USER MOD Single : A1017 THR OG1 : rot -57:sc= 1.36 USER MOD Single : A1018 HIS : no HD1:sc= -1.18 K(o=-1.2,f=0) USER MOD Single : A1026 LYS NZ :NH3+ 157:sc= 1.19 (180deg=-1.13) USER MOD Single : A1029 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1032 THR OG1 : rot -40:sc= 0.818 USER MOD Single : A1033 GLN : amide:sc= -5.5! C(o=-5.5!,f=-1.5!) USER MOD Single : A1034 THR OG1 : rot 180:sc= 0 USER MOD Single : A1036 SER OG : rot 180:sc= 0 USER MOD Single : A1037 SER OG : rot 180:sc= 0 USER MOD Single : A1038 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 918 -2.259 -13.816 20.531 1.00 0.00 N ATOM 2 CA ILE A 918 -3.504 -14.180 19.837 1.00 0.00 C ATOM 3 C ILE A 918 -4.632 -13.353 20.440 1.00 0.00 C ATOM 4 O ILE A 918 -5.040 -13.584 21.581 1.00 0.00 O ATOM 5 CB ILE A 918 -3.887 -15.689 19.963 1.00 0.00 C ATOM 6 CG1 ILE A 918 -2.747 -16.644 19.567 1.00 0.00 C ATOM 7 CG2 ILE A 918 -5.098 -15.985 19.093 1.00 0.00 C ATOM 8 CD1 ILE A 918 -1.681 -16.845 20.628 1.00 0.00 C ATOM 0 HA ILE A 918 -3.348 -13.983 18.776 1.00 0.00 H new ATOM 0 HB ILE A 918 -4.106 -15.864 21.016 1.00 0.00 H new ATOM 0 HG12 ILE A 918 -3.176 -17.614 19.317 1.00 0.00 H new ATOM 0 HG13 ILE A 918 -2.271 -16.263 18.663 1.00 0.00 H new ATOM 0 HG21 ILE A 918 -5.362 -17.039 19.183 1.00 0.00 H new ATOM 0 HG22 ILE A 918 -5.938 -15.371 19.418 1.00 0.00 H new ATOM 0 HG23 ILE A 918 -4.863 -15.758 18.053 1.00 0.00 H new ATOM 0 HD11 ILE A 918 -0.922 -17.533 20.256 1.00 0.00 H new ATOM 0 HD12 ILE A 918 -1.218 -15.887 20.864 1.00 0.00 H new ATOM 0 HD13 ILE A 918 -2.136 -17.259 21.527 1.00 0.00 H new ATOM 22 N ASP A 919 -5.112 -12.372 19.709 1.00 0.00 N ATOM 23 CA ASP A 919 -6.157 -11.496 20.214 1.00 0.00 C ATOM 24 C ASP A 919 -7.459 -11.672 19.462 1.00 0.00 C ATOM 25 O ASP A 919 -7.459 -12.027 18.279 1.00 0.00 O ATOM 26 CB ASP A 919 -5.732 -10.026 20.177 1.00 0.00 C ATOM 27 CG ASP A 919 -4.734 -9.680 21.256 1.00 0.00 C ATOM 28 OD1 ASP A 919 -5.152 -9.308 22.375 1.00 0.00 O ATOM 29 OD2 ASP A 919 -3.520 -9.769 21.010 1.00 0.00 O ATOM 0 H ASP A 919 -4.799 -12.157 18.762 1.00 0.00 H new ATOM 0 HA ASP A 919 -6.320 -11.785 21.252 1.00 0.00 H new ATOM 0 HB2 ASP A 919 -5.299 -9.802 19.202 1.00 0.00 H new ATOM 0 HB3 ASP A 919 -6.614 -9.394 20.287 1.00 0.00 H new ATOM 34 N PRO A 920 -8.591 -11.442 20.156 1.00 0.00 N ATOM 35 CA PRO A 920 -9.939 -11.515 19.569 1.00 0.00 C ATOM 36 C PRO A 920 -10.168 -10.490 18.465 1.00 0.00 C ATOM 37 O PRO A 920 -10.982 -10.709 17.563 1.00 0.00 O ATOM 38 CB PRO A 920 -10.854 -11.168 20.745 1.00 0.00 C ATOM 39 CG PRO A 920 -10.060 -11.485 21.957 1.00 0.00 C ATOM 40 CD PRO A 920 -8.650 -11.135 21.601 1.00 0.00 C ATOM 0 HA PRO A 920 -10.111 -12.490 19.114 1.00 0.00 H new ATOM 0 HB2 PRO A 920 -11.141 -10.117 20.725 1.00 0.00 H new ATOM 0 HB3 PRO A 920 -11.775 -11.750 20.713 1.00 0.00 H new ATOM 0 HG2 PRO A 920 -10.404 -10.909 22.816 1.00 0.00 H new ATOM 0 HG3 PRO A 920 -10.150 -12.538 22.223 1.00 0.00 H new ATOM 0 HD2 PRO A 920 -8.431 -10.086 21.801 1.00 0.00 H new ATOM 0 HD3 PRO A 920 -7.931 -11.725 22.169 1.00 0.00 H new ATOM 48 N PHE A 921 -9.465 -9.367 18.567 1.00 0.00 N ATOM 49 CA PHE A 921 -9.614 -8.236 17.660 1.00 0.00 C ATOM 50 C PHE A 921 -9.389 -8.632 16.204 1.00 0.00 C ATOM 51 O PHE A 921 -10.121 -8.191 15.316 1.00 0.00 O ATOM 52 CB PHE A 921 -8.654 -7.116 18.070 1.00 0.00 C ATOM 53 CG PHE A 921 -8.884 -5.830 17.334 1.00 0.00 C ATOM 54 CD1 PHE A 921 -10.030 -5.098 17.571 1.00 0.00 C ATOM 55 CD2 PHE A 921 -7.958 -5.352 16.422 1.00 0.00 C ATOM 56 CE1 PHE A 921 -10.257 -3.907 16.908 1.00 0.00 C ATOM 57 CE2 PHE A 921 -8.177 -4.162 15.755 1.00 0.00 C ATOM 58 CZ PHE A 921 -9.329 -3.438 15.998 1.00 0.00 C ATOM 0 H PHE A 921 -8.765 -9.215 19.293 1.00 0.00 H new ATOM 0 HA PHE A 921 -10.641 -7.880 17.735 1.00 0.00 H new ATOM 0 HB2 PHE A 921 -8.755 -6.936 19.140 1.00 0.00 H new ATOM 0 HB3 PHE A 921 -7.629 -7.446 17.898 1.00 0.00 H new ATOM 0 HD1 PHE A 921 -10.757 -5.460 18.283 1.00 0.00 H new ATOM 0 HD2 PHE A 921 -7.056 -5.915 16.230 1.00 0.00 H new ATOM 0 HE1 PHE A 921 -11.158 -3.344 17.101 1.00 0.00 H new ATOM 0 HE2 PHE A 921 -7.449 -3.798 15.045 1.00 0.00 H new ATOM 0 HZ PHE A 921 -9.503 -2.508 15.478 1.00 0.00 H new ATOM 68 N THR A 922 -8.396 -9.458 15.964 1.00 0.00 N ATOM 69 CA THR A 922 -8.136 -9.919 14.631 1.00 0.00 C ATOM 70 C THR A 922 -8.572 -11.381 14.547 1.00 0.00 C ATOM 71 O THR A 922 -8.632 -12.078 15.570 1.00 0.00 O ATOM 72 CB THR A 922 -6.634 -9.742 14.266 1.00 0.00 C ATOM 73 OG1 THR A 922 -6.434 -9.898 12.855 1.00 0.00 O ATOM 74 CG2 THR A 922 -5.750 -10.739 15.010 1.00 0.00 C ATOM 0 H THR A 922 -7.761 -9.820 16.675 1.00 0.00 H new ATOM 0 HA THR A 922 -8.700 -9.329 13.908 1.00 0.00 H new ATOM 0 HB THR A 922 -6.350 -8.734 14.568 1.00 0.00 H new ATOM 0 HG1 THR A 922 -5.484 -9.782 12.644 1.00 0.00 H new ATOM 0 HG21 THR A 922 -4.709 -10.583 14.728 1.00 0.00 H new ATOM 0 HG22 THR A 922 -5.861 -10.592 16.084 1.00 0.00 H new ATOM 0 HG23 THR A 922 -6.048 -11.755 14.750 1.00 0.00 H new ATOM 82 N ALA A 923 -8.926 -11.840 13.369 1.00 0.00 N ATOM 83 CA ALA A 923 -9.333 -13.212 13.205 1.00 0.00 C ATOM 84 C ALA A 923 -8.115 -14.024 12.823 1.00 0.00 C ATOM 85 O ALA A 923 -7.798 -14.189 11.644 1.00 0.00 O ATOM 86 CB ALA A 923 -10.438 -13.323 12.168 1.00 0.00 C ATOM 0 H ALA A 923 -8.940 -11.284 12.514 1.00 0.00 H new ATOM 0 HA ALA A 923 -9.742 -13.601 14.137 1.00 0.00 H new ATOM 0 HB1 ALA A 923 -10.731 -14.367 12.059 1.00 0.00 H new ATOM 0 HB2 ALA A 923 -11.299 -12.736 12.489 1.00 0.00 H new ATOM 0 HB3 ALA A 923 -10.078 -12.945 11.211 1.00 0.00 H new ATOM 92 N ASP A 924 -7.381 -14.449 13.830 1.00 0.00 N ATOM 93 CA ASP A 924 -6.113 -15.122 13.614 1.00 0.00 C ATOM 94 C ASP A 924 -6.183 -16.580 14.008 1.00 0.00 C ATOM 95 O ASP A 924 -5.889 -17.454 13.195 1.00 0.00 O ATOM 96 CB ASP A 924 -5.001 -14.432 14.402 1.00 0.00 C ATOM 97 CG ASP A 924 -3.672 -15.135 14.247 1.00 0.00 C ATOM 98 OD1 ASP A 924 -3.010 -14.936 13.212 1.00 0.00 O ATOM 99 OD2 ASP A 924 -3.271 -15.893 15.159 1.00 0.00 O ATOM 0 H ASP A 924 -7.640 -14.341 14.811 1.00 0.00 H new ATOM 0 HA ASP A 924 -5.892 -15.065 12.548 1.00 0.00 H new ATOM 0 HB2 ASP A 924 -4.906 -13.400 14.065 1.00 0.00 H new ATOM 0 HB3 ASP A 924 -5.272 -14.399 15.457 1.00 0.00 H new ATOM 104 N ALA A 925 -6.584 -16.821 15.250 1.00 0.00 N ATOM 105 CA ALA A 925 -6.650 -18.156 15.842 1.00 0.00 C ATOM 106 C ALA A 925 -5.259 -18.750 16.059 1.00 0.00 C ATOM 107 O ALA A 925 -4.801 -18.853 17.198 1.00 0.00 O ATOM 108 CB ALA A 925 -7.523 -19.108 15.028 1.00 0.00 C ATOM 0 H ALA A 925 -6.879 -16.082 15.888 1.00 0.00 H new ATOM 0 HA ALA A 925 -7.120 -18.035 16.818 1.00 0.00 H new ATOM 0 HB1 ALA A 925 -7.540 -20.086 15.508 1.00 0.00 H new ATOM 0 HB2 ALA A 925 -8.537 -18.713 14.972 1.00 0.00 H new ATOM 0 HB3 ALA A 925 -7.115 -19.205 14.022 1.00 0.00 H new ATOM 114 N GLY A 926 -4.579 -19.115 14.987 1.00 0.00 N ATOM 115 CA GLY A 926 -3.281 -19.735 15.118 1.00 0.00 C ATOM 116 C GLY A 926 -2.421 -19.595 13.886 1.00 0.00 C ATOM 117 O GLY A 926 -2.011 -20.587 13.282 1.00 0.00 O ATOM 0 H GLY A 926 -4.903 -18.993 14.027 1.00 0.00 H new ATOM 0 HA2 GLY A 926 -2.760 -19.293 15.967 1.00 0.00 H new ATOM 0 HA3 GLY A 926 -3.413 -20.794 15.341 1.00 0.00 H new ATOM 121 N HIS A 927 -2.177 -18.367 13.471 1.00 0.00 N ATOM 122 CA HIS A 927 -1.258 -18.132 12.370 1.00 0.00 C ATOM 123 C HIS A 927 -0.407 -16.943 12.716 1.00 0.00 C ATOM 124 O HIS A 927 -0.559 -16.342 13.768 1.00 0.00 O ATOM 125 CB HIS A 927 -1.939 -17.752 11.044 1.00 0.00 C ATOM 126 CG HIS A 927 -3.170 -18.513 10.657 1.00 0.00 C ATOM 127 ND1 HIS A 927 -3.159 -19.720 9.995 1.00 0.00 N ATOM 128 CD2 HIS A 927 -4.465 -18.175 10.788 1.00 0.00 C ATOM 129 CE1 HIS A 927 -4.397 -20.080 9.729 1.00 0.00 C ATOM 130 NE2 HIS A 927 -5.209 -19.163 10.201 1.00 0.00 N ATOM 0 H HIS A 927 -2.594 -17.527 13.871 1.00 0.00 H new ATOM 0 HA HIS A 927 -0.715 -19.068 12.236 1.00 0.00 H new ATOM 0 HB2 HIS A 927 -2.198 -16.694 11.090 1.00 0.00 H new ATOM 0 HB3 HIS A 927 -1.207 -17.867 10.245 1.00 0.00 H new ATOM 0 HD1 HIS A 927 -2.324 -20.251 9.749 1.00 0.00 H new ATOM 0 HD2 HIS A 927 -4.848 -17.287 11.268 1.00 0.00 H new ATOM 0 HE1 HIS A 927 -4.695 -20.979 9.210 1.00 0.00 H new ATOM 139 N THR A 928 0.546 -16.668 11.885 1.00 0.00 N ATOM 140 CA THR A 928 1.140 -15.373 11.862 1.00 0.00 C ATOM 141 C THR A 928 0.620 -14.682 10.631 1.00 0.00 C ATOM 142 O THR A 928 0.735 -15.234 9.553 1.00 0.00 O ATOM 143 CB THR A 928 2.664 -15.482 11.790 1.00 0.00 C ATOM 144 OG1 THR A 928 3.035 -16.837 11.451 1.00 0.00 O ATOM 145 CG2 THR A 928 3.294 -15.059 13.104 1.00 0.00 C ATOM 0 H THR A 928 0.931 -17.328 11.210 1.00 0.00 H new ATOM 0 HA THR A 928 0.891 -14.818 12.767 1.00 0.00 H new ATOM 0 HB THR A 928 3.035 -14.811 11.015 1.00 0.00 H new ATOM 0 HG1 THR A 928 4.011 -16.907 11.403 1.00 0.00 H new ATOM 0 HG21 THR A 928 4.378 -15.144 13.032 1.00 0.00 H new ATOM 0 HG22 THR A 928 3.025 -14.025 13.321 1.00 0.00 H new ATOM 0 HG23 THR A 928 2.932 -15.704 13.905 1.00 0.00 H new ATOM 153 N GLU A 929 -0.015 -13.552 10.765 1.00 0.00 N ATOM 154 CA GLU A 929 -0.426 -12.825 9.595 1.00 0.00 C ATOM 155 C GLU A 929 0.426 -11.591 9.454 1.00 0.00 C ATOM 156 O GLU A 929 1.278 -11.304 10.302 1.00 0.00 O ATOM 157 CB GLU A 929 -1.935 -12.477 9.526 1.00 0.00 C ATOM 158 CG GLU A 929 -2.578 -11.697 10.664 1.00 0.00 C ATOM 159 CD GLU A 929 -1.897 -10.403 11.062 1.00 0.00 C ATOM 160 OE1 GLU A 929 -2.057 -9.396 10.348 1.00 0.00 O ATOM 161 OE2 GLU A 929 -1.193 -10.379 12.096 1.00 0.00 O ATOM 0 H GLU A 929 -0.257 -13.119 11.656 1.00 0.00 H new ATOM 0 HA GLU A 929 -0.274 -13.497 8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 929 -2.098 -11.910 8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 929 -2.482 -13.414 9.423 1.00 0.00 H new ATOM 0 HG2 GLU A 929 -3.607 -11.470 10.384 1.00 0.00 H new ATOM 0 HG3 GLU A 929 -2.621 -12.344 11.540 1.00 0.00 H new ATOM 168 N PHE A 930 0.214 -10.896 8.382 1.00 0.00 N ATOM 169 CA PHE A 930 0.873 -9.657 8.106 1.00 0.00 C ATOM 170 C PHE A 930 0.019 -8.948 7.082 1.00 0.00 C ATOM 171 O PHE A 930 -0.291 -9.519 6.049 1.00 0.00 O ATOM 172 CB PHE A 930 2.286 -9.912 7.561 1.00 0.00 C ATOM 173 CG PHE A 930 3.056 -8.672 7.199 1.00 0.00 C ATOM 174 CD1 PHE A 930 3.548 -7.832 8.184 1.00 0.00 C ATOM 175 CD2 PHE A 930 3.291 -8.352 5.871 1.00 0.00 C ATOM 176 CE1 PHE A 930 4.258 -6.695 7.853 1.00 0.00 C ATOM 177 CE2 PHE A 930 4.001 -7.217 5.534 1.00 0.00 C ATOM 178 CZ PHE A 930 4.486 -6.389 6.525 1.00 0.00 C ATOM 0 H PHE A 930 -0.440 -11.182 7.654 1.00 0.00 H new ATOM 0 HA PHE A 930 0.987 -9.054 9.007 1.00 0.00 H new ATOM 0 HB2 PHE A 930 2.853 -10.470 8.307 1.00 0.00 H new ATOM 0 HB3 PHE A 930 2.211 -10.547 6.678 1.00 0.00 H new ATOM 0 HD1 PHE A 930 3.374 -8.069 9.223 1.00 0.00 H new ATOM 0 HD2 PHE A 930 2.915 -8.998 5.091 1.00 0.00 H new ATOM 0 HE1 PHE A 930 4.634 -6.046 8.630 1.00 0.00 H new ATOM 0 HE2 PHE A 930 4.177 -6.978 4.496 1.00 0.00 H new ATOM 0 HZ PHE A 930 5.044 -5.502 6.263 1.00 0.00 H new ATOM 188 N THR A 931 -0.484 -7.789 7.391 1.00 0.00 N ATOM 189 CA THR A 931 -1.134 -7.023 6.360 1.00 0.00 C ATOM 190 C THR A 931 -0.042 -6.480 5.447 1.00 0.00 C ATOM 191 O THR A 931 0.876 -5.802 5.914 1.00 0.00 O ATOM 192 CB THR A 931 -1.966 -5.860 6.935 1.00 0.00 C ATOM 193 OG1 THR A 931 -2.855 -6.359 7.943 1.00 0.00 O ATOM 194 CG2 THR A 931 -2.784 -5.184 5.840 1.00 0.00 C ATOM 0 H THR A 931 -0.461 -7.361 8.316 1.00 0.00 H new ATOM 0 HA THR A 931 -1.830 -7.664 5.818 1.00 0.00 H new ATOM 0 HB THR A 931 -1.282 -5.129 7.365 1.00 0.00 H new ATOM 0 HG1 THR A 931 -3.383 -5.619 8.309 1.00 0.00 H new ATOM 0 HG21 THR A 931 -3.363 -4.367 6.270 1.00 0.00 H new ATOM 0 HG22 THR A 931 -2.114 -4.791 5.075 1.00 0.00 H new ATOM 0 HG23 THR A 931 -3.461 -5.910 5.391 1.00 0.00 H new ATOM 202 N ASP A 932 -0.125 -6.784 4.170 1.00 0.00 N ATOM 203 CA ASP A 932 0.903 -6.327 3.249 1.00 0.00 C ATOM 204 C ASP A 932 0.312 -5.121 2.565 1.00 0.00 C ATOM 205 O ASP A 932 -0.915 -4.998 2.511 1.00 0.00 O ATOM 206 CB ASP A 932 1.296 -7.393 2.219 1.00 0.00 C ATOM 207 CG ASP A 932 2.639 -7.096 1.580 1.00 0.00 C ATOM 208 OD1 ASP A 932 2.703 -6.401 0.552 1.00 0.00 O ATOM 209 OD2 ASP A 932 3.666 -7.581 2.103 1.00 0.00 O ATOM 0 H ASP A 932 -0.874 -7.333 3.749 1.00 0.00 H new ATOM 0 HA ASP A 932 1.823 -6.098 3.786 1.00 0.00 H new ATOM 0 HB2 ASP A 932 1.332 -8.369 2.703 1.00 0.00 H new ATOM 0 HB3 ASP A 932 0.531 -7.449 1.445 1.00 0.00 H new ATOM 214 N GLU A 933 1.122 -4.232 2.059 1.00 0.00 N ATOM 215 CA GLU A 933 0.607 -2.979 1.572 1.00 0.00 C ATOM 216 C GLU A 933 1.526 -2.367 0.528 1.00 0.00 C ATOM 217 O GLU A 933 2.748 -2.539 0.567 1.00 0.00 O ATOM 218 CB GLU A 933 0.421 -2.066 2.769 1.00 0.00 C ATOM 219 CG GLU A 933 1.715 -1.764 3.500 1.00 0.00 C ATOM 220 CD GLU A 933 1.509 -0.964 4.752 1.00 0.00 C ATOM 221 OE1 GLU A 933 0.958 -1.504 5.740 1.00 0.00 O ATOM 222 OE2 GLU A 933 1.928 0.200 4.789 1.00 0.00 O ATOM 0 H GLU A 933 2.132 -4.348 1.973 1.00 0.00 H new ATOM 0 HA GLU A 933 -0.349 -3.132 1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 933 -0.028 -1.130 2.437 1.00 0.00 H new ATOM 0 HB3 GLU A 933 -0.281 -2.527 3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 933 2.211 -2.702 3.752 1.00 0.00 H new ATOM 0 HG3 GLU A 933 2.384 -1.219 2.833 1.00 0.00 H new ATOM 229 N VAL A 934 0.927 -1.667 -0.401 1.00 0.00 N ATOM 230 CA VAL A 934 1.634 -1.010 -1.480 1.00 0.00 C ATOM 231 C VAL A 934 0.879 0.280 -1.736 1.00 0.00 C ATOM 232 O VAL A 934 -0.114 0.547 -1.062 1.00 0.00 O ATOM 233 CB VAL A 934 1.678 -1.923 -2.741 1.00 0.00 C ATOM 234 CG1 VAL A 934 0.306 -2.098 -3.382 1.00 0.00 C ATOM 235 CG2 VAL A 934 2.720 -1.495 -3.778 1.00 0.00 C ATOM 0 H VAL A 934 -0.084 -1.533 -0.433 1.00 0.00 H new ATOM 0 HA VAL A 934 2.674 -0.804 -1.227 1.00 0.00 H new ATOM 0 HB VAL A 934 1.999 -2.896 -2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 934 0.393 -2.743 -4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 934 -0.376 -2.551 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 934 -0.081 -1.125 -3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 934 2.691 -2.178 -4.627 1.00 0.00 H new ATOM 0 HG22 VAL A 934 2.500 -0.483 -4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 934 3.712 -1.518 -3.328 1.00 0.00 H new ATOM 245 N TYR A 935 1.311 1.064 -2.680 1.00 0.00 N ATOM 246 CA TYR A 935 0.693 2.323 -2.977 1.00 0.00 C ATOM 247 C TYR A 935 0.578 2.478 -4.467 1.00 0.00 C ATOM 248 O TYR A 935 1.383 1.928 -5.212 1.00 0.00 O ATOM 249 CB TYR A 935 1.496 3.472 -2.400 1.00 0.00 C ATOM 250 CG TYR A 935 1.375 3.634 -0.901 1.00 0.00 C ATOM 251 CD1 TYR A 935 2.189 2.935 -0.018 1.00 0.00 C ATOM 252 CD2 TYR A 935 0.431 4.500 -0.371 1.00 0.00 C ATOM 253 CE1 TYR A 935 2.057 3.097 1.350 1.00 0.00 C ATOM 254 CE2 TYR A 935 0.297 4.669 0.985 1.00 0.00 C ATOM 255 CZ TYR A 935 1.107 3.965 1.843 1.00 0.00 C ATOM 256 OH TYR A 935 0.969 4.142 3.197 1.00 0.00 O ATOM 0 H TYR A 935 2.112 0.844 -3.272 1.00 0.00 H new ATOM 0 HA TYR A 935 -0.298 2.342 -2.524 1.00 0.00 H new ATOM 0 HB2 TYR A 935 2.546 3.327 -2.653 1.00 0.00 H new ATOM 0 HB3 TYR A 935 1.177 4.398 -2.879 1.00 0.00 H new ATOM 0 HD1 TYR A 935 2.935 2.256 -0.405 1.00 0.00 H new ATOM 0 HD2 TYR A 935 -0.213 5.053 -1.039 1.00 0.00 H new ATOM 0 HE1 TYR A 935 2.694 2.547 2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 935 -0.442 5.353 1.376 1.00 0.00 H new ATOM 0 HH TYR A 935 0.254 4.789 3.371 1.00 0.00 H new ATOM 266 N GLN A 936 -0.427 3.207 -4.878 1.00 0.00 N ATOM 267 CA GLN A 936 -0.679 3.457 -6.275 1.00 0.00 C ATOM 268 C GLN A 936 -0.691 4.955 -6.487 1.00 0.00 C ATOM 269 O GLN A 936 -1.488 5.659 -5.874 1.00 0.00 O ATOM 270 CB GLN A 936 -2.015 2.895 -6.697 1.00 0.00 C ATOM 271 CG GLN A 936 -2.213 2.950 -8.191 1.00 0.00 C ATOM 272 CD GLN A 936 -3.663 2.933 -8.536 1.00 0.00 C ATOM 273 OE1 GLN A 936 -4.275 1.882 -8.694 1.00 0.00 O ATOM 274 NE2 GLN A 936 -4.221 4.109 -8.640 1.00 0.00 N ATOM 0 H GLN A 936 -1.099 3.647 -4.249 1.00 0.00 H new ATOM 0 HA GLN A 936 0.098 2.976 -6.870 1.00 0.00 H new ATOM 0 HB2 GLN A 936 -2.095 1.861 -6.360 1.00 0.00 H new ATOM 0 HB3 GLN A 936 -2.813 3.453 -6.206 1.00 0.00 H new ATOM 0 HG2 GLN A 936 -1.751 3.853 -8.590 1.00 0.00 H new ATOM 0 HG3 GLN A 936 -1.714 2.102 -8.660 1.00 0.00 H new ATOM 0 HE21 GLN A 936 -3.664 4.952 -8.498 1.00 0.00 H new ATOM 0 HE22 GLN A 936 -5.213 4.185 -8.863 1.00 0.00 H new ATOM 283 N ASN A 937 0.168 5.403 -7.358 1.00 0.00 N ATOM 284 CA ASN A 937 0.410 6.810 -7.605 1.00 0.00 C ATOM 285 C ASN A 937 -0.031 7.248 -8.983 1.00 0.00 C ATOM 286 O ASN A 937 0.108 6.533 -9.978 1.00 0.00 O ATOM 287 CB ASN A 937 1.898 7.134 -7.489 1.00 0.00 C ATOM 288 CG ASN A 937 2.478 6.877 -6.126 1.00 0.00 C ATOM 289 OD1 ASN A 937 2.539 7.763 -5.276 1.00 0.00 O ATOM 290 ND2 ASN A 937 2.901 5.658 -5.909 1.00 0.00 N ATOM 0 H ASN A 937 0.740 4.787 -7.936 1.00 0.00 H new ATOM 0 HA ASN A 937 -0.173 7.341 -6.853 1.00 0.00 H new ATOM 0 HB2 ASN A 937 2.446 6.543 -8.223 1.00 0.00 H new ATOM 0 HB3 ASN A 937 2.052 8.182 -7.746 1.00 0.00 H new ATOM 0 HD21 ASN A 937 3.302 5.411 -5.004 1.00 0.00 H new ATOM 0 HD22 ASN A 937 2.830 4.955 -6.645 1.00 0.00 H new ATOM 297 N GLU A 938 -0.549 8.441 -8.988 1.00 0.00 N ATOM 298 CA GLU A 938 -0.894 9.207 -10.174 1.00 0.00 C ATOM 299 C GLU A 938 -0.387 10.617 -9.914 1.00 0.00 C ATOM 300 O GLU A 938 -0.111 10.960 -8.751 1.00 0.00 O ATOM 301 CB GLU A 938 -2.405 9.189 -10.396 1.00 0.00 C ATOM 302 CG GLU A 938 -2.932 7.893 -11.003 1.00 0.00 C ATOM 303 CD GLU A 938 -4.433 7.904 -11.213 1.00 0.00 C ATOM 304 OE1 GLU A 938 -4.913 8.551 -12.170 1.00 0.00 O ATOM 305 OE2 GLU A 938 -5.171 7.264 -10.430 1.00 0.00 O ATOM 0 H GLU A 938 -0.758 8.942 -8.124 1.00 0.00 H new ATOM 0 HA GLU A 938 -0.445 8.791 -11.076 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -2.903 9.359 -9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -2.675 10.019 -11.049 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -2.438 7.719 -11.959 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -2.668 7.060 -10.352 1.00 0.00 H new ATOM 312 N SER A 939 -0.235 11.431 -10.936 1.00 0.00 N ATOM 313 CA SER A 939 0.326 12.748 -10.743 1.00 0.00 C ATOM 314 C SER A 939 -0.215 13.760 -11.740 1.00 0.00 C ATOM 315 O SER A 939 -0.751 13.397 -12.785 1.00 0.00 O ATOM 316 CB SER A 939 1.855 12.688 -10.792 1.00 0.00 C ATOM 317 OG SER A 939 2.308 12.048 -11.971 1.00 0.00 O ATOM 0 H SER A 939 -0.489 11.207 -11.898 1.00 0.00 H new ATOM 0 HA SER A 939 0.020 13.091 -9.755 1.00 0.00 H new ATOM 0 HB2 SER A 939 2.262 13.698 -10.745 1.00 0.00 H new ATOM 0 HB3 SER A 939 2.228 12.153 -9.919 1.00 0.00 H new ATOM 0 HG SER A 939 3.277 12.165 -12.055 1.00 0.00 H new ATOM 323 N ARG A 940 -0.095 15.019 -11.363 1.00 0.00 N ATOM 324 CA ARG A 940 -0.531 16.146 -12.140 1.00 0.00 C ATOM 325 C ARG A 940 0.248 17.366 -11.705 1.00 0.00 C ATOM 326 O ARG A 940 0.856 17.363 -10.642 1.00 0.00 O ATOM 327 CB ARG A 940 -2.008 16.411 -11.907 1.00 0.00 C ATOM 328 CG ARG A 940 -2.396 16.641 -10.449 1.00 0.00 C ATOM 329 CD ARG A 940 -3.857 16.998 -10.381 1.00 0.00 C ATOM 330 NE ARG A 940 -4.378 17.323 -9.056 1.00 0.00 N ATOM 331 CZ ARG A 940 -5.634 17.751 -8.873 1.00 0.00 C ATOM 332 NH1 ARG A 940 -6.332 18.171 -9.925 1.00 0.00 N ATOM 333 NH2 ARG A 940 -6.187 17.788 -7.666 1.00 0.00 N ATOM 0 H ARG A 940 0.325 15.286 -10.473 1.00 0.00 H new ATOM 0 HA ARG A 940 -0.366 15.934 -13.196 1.00 0.00 H new ATOM 0 HB2 ARG A 940 -2.302 17.285 -12.488 1.00 0.00 H new ATOM 0 HB3 ARG A 940 -2.579 15.566 -12.291 1.00 0.00 H new ATOM 0 HG2 ARG A 940 -2.200 15.744 -9.861 1.00 0.00 H new ATOM 0 HG3 ARG A 940 -1.793 17.441 -10.021 1.00 0.00 H new ATOM 0 HD2 ARG A 940 -4.033 17.850 -11.037 1.00 0.00 H new ATOM 0 HD3 ARG A 940 -4.433 16.164 -10.781 1.00 0.00 H new ATOM 0 HE ARG A 940 -3.767 17.221 -8.246 1.00 0.00 H new ATOM 0 HH11 ARG A 940 -5.909 18.164 -10.853 1.00 0.00 H new ATOM 0 HH12 ARG A 940 -7.290 18.500 -9.803 1.00 0.00 H new ATOM 0 HH21 ARG A 940 -5.653 17.486 -6.851 1.00 0.00 H new ATOM 0 HH22 ARG A 940 -7.146 18.118 -7.554 1.00 0.00 H new ATOM 347 N TYR A 941 0.299 18.371 -12.545 1.00 0.00 N ATOM 348 CA TYR A 941 0.808 19.663 -12.116 1.00 0.00 C ATOM 349 C TYR A 941 -0.280 20.309 -11.282 1.00 0.00 C ATOM 350 O TYR A 941 -1.423 19.827 -11.308 1.00 0.00 O ATOM 351 CB TYR A 941 1.077 20.582 -13.303 1.00 0.00 C ATOM 352 CG TYR A 941 1.965 19.963 -14.353 1.00 0.00 C ATOM 353 CD1 TYR A 941 3.324 19.808 -14.121 1.00 0.00 C ATOM 354 CD2 TYR A 941 1.446 19.506 -15.556 1.00 0.00 C ATOM 355 CE1 TYR A 941 4.141 19.218 -15.058 1.00 0.00 C ATOM 356 CE2 TYR A 941 2.258 18.908 -16.496 1.00 0.00 C ATOM 357 CZ TYR A 941 3.604 18.767 -16.241 1.00 0.00 C ATOM 358 OH TYR A 941 4.417 18.156 -17.169 1.00 0.00 O ATOM 0 H TYR A 941 -0.000 18.327 -13.519 1.00 0.00 H new ATOM 0 HA TYR A 941 1.740 19.517 -11.569 1.00 0.00 H new ATOM 0 HB2 TYR A 941 0.127 20.860 -13.760 1.00 0.00 H new ATOM 0 HB3 TYR A 941 1.539 21.501 -12.943 1.00 0.00 H new ATOM 0 HD1 TYR A 941 3.747 20.156 -13.190 1.00 0.00 H new ATOM 0 HD2 TYR A 941 0.391 19.620 -15.759 1.00 0.00 H new ATOM 0 HE1 TYR A 941 5.198 19.110 -14.865 1.00 0.00 H new ATOM 0 HE2 TYR A 941 1.841 18.552 -17.427 1.00 0.00 H new ATOM 0 HH TYR A 941 3.884 17.895 -17.949 1.00 0.00 H new ATOM 368 N PRO A 942 0.024 21.363 -10.520 1.00 0.00 N ATOM 369 CA PRO A 942 -1.011 22.140 -9.850 1.00 0.00 C ATOM 370 C PRO A 942 -1.939 22.792 -10.870 1.00 0.00 C ATOM 371 O PRO A 942 -1.706 23.916 -11.311 1.00 0.00 O ATOM 372 CB PRO A 942 -0.233 23.204 -9.085 1.00 0.00 C ATOM 373 CG PRO A 942 1.140 22.652 -8.942 1.00 0.00 C ATOM 374 CD PRO A 942 1.377 21.845 -10.184 1.00 0.00 C ATOM 0 HA PRO A 942 -1.642 21.529 -9.204 1.00 0.00 H new ATOM 0 HB2 PRO A 942 -0.223 24.150 -9.626 1.00 0.00 H new ATOM 0 HB3 PRO A 942 -0.683 23.398 -8.111 1.00 0.00 H new ATOM 0 HG2 PRO A 942 1.876 23.450 -8.846 1.00 0.00 H new ATOM 0 HG3 PRO A 942 1.223 22.032 -8.049 1.00 0.00 H new ATOM 0 HD2 PRO A 942 1.802 22.450 -10.985 1.00 0.00 H new ATOM 0 HD3 PRO A 942 2.068 21.021 -10.006 1.00 0.00 H new ATOM 382 N GLY A 943 -2.933 22.044 -11.317 1.00 0.00 N ATOM 383 CA GLY A 943 -3.819 22.515 -12.350 1.00 0.00 C ATOM 384 C GLY A 943 -3.999 21.455 -13.423 1.00 0.00 C ATOM 385 O GLY A 943 -4.747 21.648 -14.381 1.00 0.00 O ATOM 0 H GLY A 943 -3.141 21.106 -10.975 1.00 0.00 H new ATOM 0 HA2 GLY A 943 -4.786 22.771 -11.918 1.00 0.00 H new ATOM 0 HA3 GLY A 943 -3.417 23.426 -12.794 1.00 0.00 H new ATOM 389 N GLY A 944 -3.304 20.324 -13.273 1.00 0.00 N ATOM 390 CA GLY A 944 -3.453 19.244 -14.222 1.00 0.00 C ATOM 391 C GLY A 944 -4.450 18.264 -13.661 1.00 0.00 C ATOM 392 O GLY A 944 -5.082 18.572 -12.640 1.00 0.00 O ATOM 0 H GLY A 944 -2.647 20.144 -12.514 1.00 0.00 H new ATOM 0 HA2 GLY A 944 -3.795 19.627 -15.184 1.00 0.00 H new ATOM 0 HA3 GLY A 944 -2.495 18.755 -14.396 1.00 0.00 H new ATOM 396 N ASP A 945 -4.653 17.113 -14.262 1.00 0.00 N ATOM 397 CA ASP A 945 -5.453 16.092 -13.623 1.00 0.00 C ATOM 398 C ASP A 945 -4.604 14.832 -13.637 1.00 0.00 C ATOM 399 O ASP A 945 -3.650 14.762 -14.409 1.00 0.00 O ATOM 400 CB ASP A 945 -6.784 15.889 -14.352 1.00 0.00 C ATOM 401 CG ASP A 945 -7.729 14.981 -13.594 1.00 0.00 C ATOM 402 OD1 ASP A 945 -8.478 15.475 -12.727 1.00 0.00 O ATOM 403 OD2 ASP A 945 -7.743 13.763 -13.850 1.00 0.00 O ATOM 0 H ASP A 945 -4.282 16.862 -15.178 1.00 0.00 H new ATOM 0 HA ASP A 945 -5.720 16.373 -12.604 1.00 0.00 H new ATOM 0 HB2 ASP A 945 -7.261 16.857 -14.506 1.00 0.00 H new ATOM 0 HB3 ASP A 945 -6.593 15.467 -15.339 1.00 0.00 H new ATOM 408 N TRP A 946 -4.931 13.866 -12.805 1.00 0.00 N ATOM 409 CA TRP A 946 -4.086 12.720 -12.563 1.00 0.00 C ATOM 410 C TRP A 946 -3.886 11.844 -13.792 1.00 0.00 C ATOM 411 O TRP A 946 -4.821 11.519 -14.529 1.00 0.00 O ATOM 412 CB TRP A 946 -4.663 11.927 -11.405 1.00 0.00 C ATOM 413 CG TRP A 946 -4.949 12.780 -10.234 1.00 0.00 C ATOM 414 CD1 TRP A 946 -6.146 13.278 -9.831 1.00 0.00 C ATOM 415 CD2 TRP A 946 -3.981 13.267 -9.329 1.00 0.00 C ATOM 416 NE1 TRP A 946 -5.965 14.039 -8.712 1.00 0.00 N ATOM 417 CE2 TRP A 946 -4.645 14.041 -8.380 1.00 0.00 C ATOM 418 CE3 TRP A 946 -2.611 13.106 -9.235 1.00 0.00 C ATOM 419 CZ2 TRP A 946 -3.977 14.660 -7.338 1.00 0.00 C ATOM 420 CZ3 TRP A 946 -1.946 13.717 -8.211 1.00 0.00 C ATOM 421 CH2 TRP A 946 -2.625 14.485 -7.274 1.00 0.00 C ATOM 0 H TRP A 946 -5.801 13.856 -12.273 1.00 0.00 H new ATOM 0 HA TRP A 946 -3.090 13.084 -12.310 1.00 0.00 H new ATOM 0 HB2 TRP A 946 -5.580 11.433 -11.726 1.00 0.00 H new ATOM 0 HB3 TRP A 946 -3.962 11.143 -11.119 1.00 0.00 H new ATOM 0 HD1 TRP A 946 -7.093 13.100 -10.319 1.00 0.00 H new ATOM 0 HE1 TRP A 946 -6.702 14.529 -8.205 1.00 0.00 H new ATOM 0 HE3 TRP A 946 -2.077 12.508 -9.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 946 -4.503 15.256 -6.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 946 -0.875 13.601 -8.128 1.00 0.00 H new ATOM 0 HH2 TRP A 946 -2.070 14.955 -6.476 1.00 0.00 H new ATOM 432 N LYS A 947 -2.643 11.480 -13.982 1.00 0.00 N ATOM 433 CA LYS A 947 -2.168 10.643 -15.063 1.00 0.00 C ATOM 434 C LYS A 947 -1.202 9.668 -14.392 1.00 0.00 C ATOM 435 O LYS A 947 -0.990 9.817 -13.200 1.00 0.00 O ATOM 436 CB LYS A 947 -1.427 11.517 -16.092 1.00 0.00 C ATOM 437 CG LYS A 947 -2.278 12.617 -16.710 1.00 0.00 C ATOM 438 CD LYS A 947 -1.443 13.524 -17.595 1.00 0.00 C ATOM 439 CE LYS A 947 -2.255 14.679 -18.159 1.00 0.00 C ATOM 440 NZ LYS A 947 -3.341 14.221 -19.057 1.00 0.00 N ATOM 0 H LYS A 947 -1.893 11.773 -13.356 1.00 0.00 H new ATOM 0 HA LYS A 947 -2.969 10.125 -15.591 1.00 0.00 H new ATOM 0 HB2 LYS A 947 -0.562 11.971 -15.609 1.00 0.00 H new ATOM 0 HB3 LYS A 947 -1.048 10.877 -16.888 1.00 0.00 H new ATOM 0 HG2 LYS A 947 -3.082 12.172 -17.296 1.00 0.00 H new ATOM 0 HG3 LYS A 947 -2.746 13.205 -15.921 1.00 0.00 H new ATOM 0 HD2 LYS A 947 -0.604 13.918 -17.021 1.00 0.00 H new ATOM 0 HD3 LYS A 947 -1.023 12.942 -18.415 1.00 0.00 H new ATOM 0 HE2 LYS A 947 -2.684 15.253 -17.338 1.00 0.00 H new ATOM 0 HE3 LYS A 947 -1.594 15.351 -18.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 947 -3.800 15.045 -19.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 947 -2.943 13.611 -19.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 947 -4.043 13.685 -18.508 1.00 0.00 H new ATOM 454 N PRO A 948 -0.622 8.669 -15.079 1.00 0.00 N ATOM 455 CA PRO A 948 0.375 7.782 -14.460 1.00 0.00 C ATOM 456 C PRO A 948 1.539 8.572 -13.848 1.00 0.00 C ATOM 457 O PRO A 948 2.149 9.405 -14.518 1.00 0.00 O ATOM 458 CB PRO A 948 0.869 6.929 -15.627 1.00 0.00 C ATOM 459 CG PRO A 948 -0.241 6.957 -16.615 1.00 0.00 C ATOM 460 CD PRO A 948 -0.886 8.303 -16.474 1.00 0.00 C ATOM 0 HA PRO A 948 -0.046 7.199 -13.641 1.00 0.00 H new ATOM 0 HB2 PRO A 948 1.787 7.334 -16.052 1.00 0.00 H new ATOM 0 HB3 PRO A 948 1.088 5.910 -15.307 1.00 0.00 H new ATOM 0 HG2 PRO A 948 0.134 6.808 -17.628 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -0.957 6.159 -16.420 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -0.457 9.027 -17.166 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -1.955 8.259 -16.681 1.00 0.00 H new ATOM 468 N ALA A 949 1.823 8.315 -12.578 1.00 0.00 N ATOM 469 CA ALA A 949 2.891 9.028 -11.867 1.00 0.00 C ATOM 470 C ALA A 949 4.301 8.491 -12.142 1.00 0.00 C ATOM 471 O ALA A 949 5.222 8.822 -11.382 1.00 0.00 O ATOM 472 CB ALA A 949 2.644 8.999 -10.375 1.00 0.00 C ATOM 0 H ALA A 949 1.333 7.620 -12.014 1.00 0.00 H new ATOM 0 HA ALA A 949 2.857 10.047 -12.252 1.00 0.00 H new ATOM 0 HB1 ALA A 949 3.445 9.532 -9.863 1.00 0.00 H new ATOM 0 HB2 ALA A 949 1.690 9.479 -10.155 1.00 0.00 H new ATOM 0 HB3 ALA A 949 2.618 7.965 -10.031 1.00 0.00 H new ATOM 478 N GLU A 950 4.471 7.670 -13.196 1.00 0.00 N ATOM 479 CA GLU A 950 5.759 7.039 -13.596 1.00 0.00 C ATOM 480 C GLU A 950 6.017 5.872 -12.700 1.00 0.00 C ATOM 481 O GLU A 950 6.063 4.720 -13.129 1.00 0.00 O ATOM 482 CB GLU A 950 7.003 7.917 -13.470 1.00 0.00 C ATOM 483 CG GLU A 950 6.942 9.235 -14.154 1.00 0.00 C ATOM 484 CD GLU A 950 6.812 9.121 -15.649 1.00 0.00 C ATOM 485 OE1 GLU A 950 7.820 8.848 -16.326 1.00 0.00 O ATOM 486 OE2 GLU A 950 5.700 9.294 -16.180 1.00 0.00 O ATOM 0 H GLU A 950 3.700 7.416 -13.814 1.00 0.00 H new ATOM 0 HA GLU A 950 5.624 6.798 -14.650 1.00 0.00 H new ATOM 0 HB2 GLU A 950 7.197 8.088 -12.411 1.00 0.00 H new ATOM 0 HB3 GLU A 950 7.855 7.364 -13.865 1.00 0.00 H new ATOM 0 HG2 GLU A 950 6.096 9.801 -13.764 1.00 0.00 H new ATOM 0 HG3 GLU A 950 7.842 9.803 -13.916 1.00 0.00 H new ATOM 493 N ASP A 951 6.148 6.204 -11.440 1.00 0.00 N ATOM 494 CA ASP A 951 6.419 5.224 -10.453 1.00 0.00 C ATOM 495 C ASP A 951 5.084 4.947 -9.817 1.00 0.00 C ATOM 496 O ASP A 951 4.701 5.599 -8.840 1.00 0.00 O ATOM 497 CB ASP A 951 7.429 5.671 -9.388 1.00 0.00 C ATOM 498 CG ASP A 951 8.727 6.201 -9.954 1.00 0.00 C ATOM 499 OD1 ASP A 951 9.662 5.417 -10.214 1.00 0.00 O ATOM 500 OD2 ASP A 951 8.843 7.436 -10.118 1.00 0.00 O ATOM 0 H ASP A 951 6.068 7.157 -11.085 1.00 0.00 H new ATOM 0 HA ASP A 951 6.879 4.350 -10.913 1.00 0.00 H new ATOM 0 HB2 ASP A 951 6.972 6.444 -8.770 1.00 0.00 H new ATOM 0 HB3 ASP A 951 7.648 4.828 -8.733 1.00 0.00 H new ATOM 505 N THR A 952 4.333 4.079 -10.449 1.00 0.00 N ATOM 506 CA THR A 952 2.966 3.845 -10.069 1.00 0.00 C ATOM 507 C THR A 952 2.870 3.081 -8.758 1.00 0.00 C ATOM 508 O THR A 952 2.311 3.585 -7.793 1.00 0.00 O ATOM 509 CB THR A 952 2.219 3.127 -11.206 1.00 0.00 C ATOM 510 OG1 THR A 952 2.414 3.871 -12.420 1.00 0.00 O ATOM 511 CG2 THR A 952 0.726 3.033 -10.917 1.00 0.00 C ATOM 0 H THR A 952 4.653 3.518 -11.238 1.00 0.00 H new ATOM 0 HA THR A 952 2.486 4.809 -9.900 1.00 0.00 H new ATOM 0 HB THR A 952 2.612 2.115 -11.298 1.00 0.00 H new ATOM 0 HG1 THR A 952 1.945 3.425 -13.156 1.00 0.00 H new ATOM 0 HG21 THR A 952 0.228 2.520 -11.740 1.00 0.00 H new ATOM 0 HG22 THR A 952 0.569 2.476 -9.994 1.00 0.00 H new ATOM 0 HG23 THR A 952 0.312 4.036 -10.811 1.00 0.00 H new ATOM 519 N TYR A 953 3.434 1.903 -8.678 1.00 0.00 N ATOM 520 CA TYR A 953 3.345 1.169 -7.446 1.00 0.00 C ATOM 521 C TYR A 953 4.613 1.360 -6.632 1.00 0.00 C ATOM 522 O TYR A 953 5.718 1.103 -7.101 1.00 0.00 O ATOM 523 CB TYR A 953 2.954 -0.284 -7.710 1.00 0.00 C ATOM 524 CG TYR A 953 1.531 -0.352 -8.243 1.00 0.00 C ATOM 525 CD1 TYR A 953 0.447 -0.213 -7.382 1.00 0.00 C ATOM 526 CD2 TYR A 953 1.268 -0.499 -9.599 1.00 0.00 C ATOM 527 CE1 TYR A 953 -0.855 -0.230 -7.853 1.00 0.00 C ATOM 528 CE2 TYR A 953 -0.031 -0.513 -10.079 1.00 0.00 C ATOM 529 CZ TYR A 953 -1.087 -0.377 -9.203 1.00 0.00 C ATOM 530 OH TYR A 953 -2.386 -0.389 -9.680 1.00 0.00 O ATOM 0 H TYR A 953 3.946 1.443 -9.430 1.00 0.00 H new ATOM 0 HA TYR A 953 2.541 1.564 -6.825 1.00 0.00 H new ATOM 0 HB2 TYR A 953 3.642 -0.729 -8.429 1.00 0.00 H new ATOM 0 HB3 TYR A 953 3.035 -0.864 -6.790 1.00 0.00 H new ATOM 0 HD1 TYR A 953 0.625 -0.089 -6.324 1.00 0.00 H new ATOM 0 HD2 TYR A 953 2.091 -0.604 -10.291 1.00 0.00 H new ATOM 0 HE1 TYR A 953 -1.683 -0.129 -7.167 1.00 0.00 H new ATOM 0 HE2 TYR A 953 -0.216 -0.630 -11.137 1.00 0.00 H new ATOM 0 HH TYR A 953 -2.885 0.358 -9.289 1.00 0.00 H new ATOM 540 N THR A 954 4.433 1.828 -5.410 1.00 0.00 N ATOM 541 CA THR A 954 5.534 2.268 -4.559 1.00 0.00 C ATOM 542 C THR A 954 5.348 1.754 -3.152 1.00 0.00 C ATOM 543 O THR A 954 4.285 1.239 -2.803 1.00 0.00 O ATOM 544 CB THR A 954 5.614 3.814 -4.505 1.00 0.00 C ATOM 545 OG1 THR A 954 4.384 4.367 -4.008 1.00 0.00 O ATOM 546 CG2 THR A 954 5.930 4.403 -5.872 1.00 0.00 C ATOM 0 H THR A 954 3.515 1.916 -4.974 1.00 0.00 H new ATOM 0 HA THR A 954 6.455 1.871 -4.987 1.00 0.00 H new ATOM 0 HB THR A 954 6.424 4.076 -3.825 1.00 0.00 H new ATOM 0 HG1 THR A 954 4.569 5.206 -3.537 1.00 0.00 H new ATOM 0 HG21 THR A 954 5.979 5.489 -5.798 1.00 0.00 H new ATOM 0 HG22 THR A 954 6.889 4.020 -6.220 1.00 0.00 H new ATOM 0 HG23 THR A 954 5.149 4.122 -6.579 1.00 0.00 H new ATOM 554 N ASP A 955 6.366 1.941 -2.345 1.00 0.00 N ATOM 555 CA ASP A 955 6.320 1.595 -0.945 1.00 0.00 C ATOM 556 C ASP A 955 5.950 2.882 -0.214 1.00 0.00 C ATOM 557 O ASP A 955 5.791 3.917 -0.871 1.00 0.00 O ATOM 558 CB ASP A 955 7.698 1.069 -0.509 1.00 0.00 C ATOM 559 CG ASP A 955 7.730 0.520 0.903 1.00 0.00 C ATOM 560 OD1 ASP A 955 7.305 -0.636 1.113 1.00 0.00 O ATOM 561 OD2 ASP A 955 8.209 1.218 1.819 1.00 0.00 O ATOM 0 H ASP A 955 7.256 2.340 -2.644 1.00 0.00 H new ATOM 0 HA ASP A 955 5.595 0.811 -0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 955 8.012 0.286 -1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 955 8.426 1.876 -0.591 1.00 0.00 H new ATOM 566 N ALA A 956 5.779 2.828 1.096 1.00 0.00 N ATOM 567 CA ALA A 956 5.463 4.015 1.908 1.00 0.00 C ATOM 568 C ALA A 956 6.422 5.203 1.682 1.00 0.00 C ATOM 569 O ALA A 956 6.044 6.356 1.898 1.00 0.00 O ATOM 570 CB ALA A 956 5.429 3.645 3.383 1.00 0.00 C ATOM 0 H ALA A 956 5.853 1.966 1.636 1.00 0.00 H new ATOM 0 HA ALA A 956 4.480 4.353 1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 956 5.195 4.530 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 956 4.666 2.884 3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 956 6.402 3.255 3.683 1.00 0.00 H new ATOM 576 N ASN A 957 7.644 4.943 1.230 1.00 0.00 N ATOM 577 CA ASN A 957 8.597 6.026 0.962 1.00 0.00 C ATOM 578 C ASN A 957 8.598 6.414 -0.520 1.00 0.00 C ATOM 579 O ASN A 957 9.280 7.354 -0.926 1.00 0.00 O ATOM 580 CB ASN A 957 10.016 5.634 1.399 1.00 0.00 C ATOM 581 CG ASN A 957 10.652 4.585 0.511 1.00 0.00 C ATOM 582 OD1 ASN A 957 10.433 3.393 0.687 1.00 0.00 O ATOM 583 ND2 ASN A 957 11.474 5.013 -0.430 1.00 0.00 N ATOM 0 H ASN A 957 8.000 4.006 1.042 1.00 0.00 H new ATOM 0 HA ASN A 957 8.276 6.889 1.545 1.00 0.00 H new ATOM 0 HB2 ASN A 957 10.645 6.524 1.405 1.00 0.00 H new ATOM 0 HB3 ASN A 957 9.983 5.261 2.423 1.00 0.00 H new ATOM 0 HD21 ASN A 957 11.948 4.344 -1.036 1.00 0.00 H new ATOM 0 HD22 ASN A 957 11.635 6.013 -0.551 1.00 0.00 H new ATOM 590 N GLY A 958 7.836 5.692 -1.329 1.00 0.00 N ATOM 591 CA GLY A 958 7.786 5.974 -2.748 1.00 0.00 C ATOM 592 C GLY A 958 8.764 5.145 -3.524 1.00 0.00 C ATOM 593 O GLY A 958 8.888 5.316 -4.732 1.00 0.00 O ATOM 0 H GLY A 958 7.250 4.914 -1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 958 6.778 5.786 -3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 958 7.995 7.031 -2.914 1.00 0.00 H new ATOM 597 N ASP A 959 9.522 4.330 -2.810 1.00 0.00 N ATOM 598 CA ASP A 959 10.435 3.382 -3.433 1.00 0.00 C ATOM 599 C ASP A 959 9.610 2.506 -4.339 1.00 0.00 C ATOM 600 O ASP A 959 8.786 1.728 -3.852 1.00 0.00 O ATOM 601 CB ASP A 959 11.120 2.509 -2.385 1.00 0.00 C ATOM 602 CG ASP A 959 12.402 1.870 -2.878 1.00 0.00 C ATOM 603 OD1 ASP A 959 12.368 0.932 -3.692 1.00 0.00 O ATOM 604 OD2 ASP A 959 13.486 2.323 -2.440 1.00 0.00 O ATOM 0 H ASP A 959 9.524 4.305 -1.790 1.00 0.00 H new ATOM 0 HA ASP A 959 11.210 3.918 -3.981 1.00 0.00 H new ATOM 0 HB2 ASP A 959 11.340 3.115 -1.506 1.00 0.00 H new ATOM 0 HB3 ASP A 959 10.431 1.726 -2.069 1.00 0.00 H new ATOM 609 N LYS A 960 9.716 2.755 -5.630 1.00 0.00 N ATOM 610 CA LYS A 960 8.958 2.002 -6.614 1.00 0.00 C ATOM 611 C LYS A 960 9.146 0.501 -6.414 1.00 0.00 C ATOM 612 O LYS A 960 10.258 0.004 -6.220 1.00 0.00 O ATOM 613 CB LYS A 960 9.324 2.395 -8.046 1.00 0.00 C ATOM 614 CG LYS A 960 8.446 1.700 -9.076 1.00 0.00 C ATOM 615 CD LYS A 960 8.833 2.032 -10.501 1.00 0.00 C ATOM 616 CE LYS A 960 10.261 1.620 -10.810 1.00 0.00 C ATOM 617 NZ LYS A 960 10.596 1.851 -12.233 1.00 0.00 N ATOM 0 H LYS A 960 10.321 3.475 -6.024 1.00 0.00 H new ATOM 0 HA LYS A 960 7.907 2.249 -6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 960 9.229 3.475 -8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 960 10.368 2.145 -8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 960 8.508 0.622 -8.930 1.00 0.00 H new ATOM 0 HG3 LYS A 960 7.407 1.985 -8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 960 8.153 1.529 -11.189 1.00 0.00 H new ATOM 0 HD3 LYS A 960 8.720 3.103 -10.668 1.00 0.00 H new ATOM 0 HE2 LYS A 960 10.948 2.182 -10.177 1.00 0.00 H new ATOM 0 HE3 LYS A 960 10.397 0.566 -10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 960 11.578 1.559 -12.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 960 9.956 1.295 -12.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 960 10.490 2.861 -12.455 1.00 0.00 H new ATOM 631 N ALA A 961 8.044 -0.197 -6.446 1.00 0.00 N ATOM 632 CA ALA A 961 8.012 -1.617 -6.208 1.00 0.00 C ATOM 633 C ALA A 961 7.265 -2.290 -7.341 1.00 0.00 C ATOM 634 O ALA A 961 6.921 -1.638 -8.340 1.00 0.00 O ATOM 635 CB ALA A 961 7.335 -1.895 -4.872 1.00 0.00 C ATOM 0 H ALA A 961 7.129 0.209 -6.641 1.00 0.00 H new ATOM 0 HA ALA A 961 9.026 -2.015 -6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 961 7.311 -2.970 -4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 961 7.892 -1.406 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 961 6.316 -1.508 -4.893 1.00 0.00 H new ATOM 641 N ALA A 962 7.040 -3.577 -7.213 1.00 0.00 N ATOM 642 CA ALA A 962 6.273 -4.304 -8.198 1.00 0.00 C ATOM 643 C ALA A 962 4.797 -3.983 -8.008 1.00 0.00 C ATOM 644 O ALA A 962 4.385 -3.537 -6.933 1.00 0.00 O ATOM 645 CB ALA A 962 6.520 -5.798 -8.059 1.00 0.00 C ATOM 0 H ALA A 962 7.378 -4.143 -6.435 1.00 0.00 H new ATOM 0 HA ALA A 962 6.581 -4.005 -9.200 1.00 0.00 H new ATOM 0 HB1 ALA A 962 5.936 -6.334 -8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 962 7.579 -6.007 -8.207 1.00 0.00 H new ATOM 0 HB3 ALA A 962 6.222 -6.125 -7.063 1.00 0.00 H new ATOM 651 N SER A 963 4.004 -4.171 -9.040 1.00 0.00 N ATOM 652 CA SER A 963 2.589 -3.924 -8.930 1.00 0.00 C ATOM 653 C SER A 963 1.960 -5.103 -8.193 1.00 0.00 C ATOM 654 O SER A 963 2.554 -6.181 -8.181 1.00 0.00 O ATOM 655 CB SER A 963 1.988 -3.776 -10.322 1.00 0.00 C ATOM 656 OG SER A 963 2.842 -3.012 -11.157 1.00 0.00 O ATOM 0 H SER A 963 4.315 -4.492 -9.957 1.00 0.00 H new ATOM 0 HA SER A 963 2.398 -3.003 -8.379 1.00 0.00 H new ATOM 0 HB2 SER A 963 1.827 -4.761 -10.761 1.00 0.00 H new ATOM 0 HB3 SER A 963 1.012 -3.295 -10.253 1.00 0.00 H new ATOM 0 HG SER A 963 2.440 -2.929 -12.047 1.00 0.00 H new ATOM 662 N PRO A 964 0.783 -4.926 -7.557 1.00 0.00 N ATOM 663 CA PRO A 964 0.088 -5.999 -6.816 1.00 0.00 C ATOM 664 C PRO A 964 -0.105 -7.303 -7.608 1.00 0.00 C ATOM 665 O PRO A 964 -0.313 -8.364 -7.023 1.00 0.00 O ATOM 666 CB PRO A 964 -1.261 -5.382 -6.485 1.00 0.00 C ATOM 667 CG PRO A 964 -1.038 -3.913 -6.479 1.00 0.00 C ATOM 668 CD PRO A 964 0.052 -3.650 -7.471 1.00 0.00 C ATOM 0 HA PRO A 964 0.676 -6.307 -5.951 1.00 0.00 H new ATOM 0 HB2 PRO A 964 -2.012 -5.661 -7.224 1.00 0.00 H new ATOM 0 HB3 PRO A 964 -1.623 -5.727 -5.517 1.00 0.00 H new ATOM 0 HG2 PRO A 964 -1.949 -3.380 -6.752 1.00 0.00 H new ATOM 0 HG3 PRO A 964 -0.752 -3.567 -5.486 1.00 0.00 H new ATOM 0 HD2 PRO A 964 -0.354 -3.358 -8.440 1.00 0.00 H new ATOM 0 HD3 PRO A 964 0.703 -2.840 -7.141 1.00 0.00 H new ATOM 676 N SER A 965 -0.027 -7.216 -8.921 1.00 0.00 N ATOM 677 CA SER A 965 -0.091 -8.378 -9.781 1.00 0.00 C ATOM 678 C SER A 965 1.200 -9.187 -9.623 1.00 0.00 C ATOM 679 O SER A 965 1.186 -10.359 -9.225 1.00 0.00 O ATOM 680 CB SER A 965 -0.274 -7.895 -11.221 1.00 0.00 C ATOM 681 OG SER A 965 0.650 -6.852 -11.520 1.00 0.00 O ATOM 0 H SER A 965 0.083 -6.334 -9.422 1.00 0.00 H new ATOM 0 HA SER A 965 -0.929 -9.023 -9.515 1.00 0.00 H new ATOM 0 HB2 SER A 965 -0.128 -8.726 -11.911 1.00 0.00 H new ATOM 0 HB3 SER A 965 -1.294 -7.537 -11.364 1.00 0.00 H new ATOM 0 HG SER A 965 0.521 -6.556 -12.445 1.00 0.00 H new ATOM 687 N GLU A 966 2.312 -8.514 -9.895 1.00 0.00 N ATOM 688 CA GLU A 966 3.645 -9.090 -9.823 1.00 0.00 C ATOM 689 C GLU A 966 4.043 -9.388 -8.374 1.00 0.00 C ATOM 690 O GLU A 966 4.867 -10.276 -8.124 1.00 0.00 O ATOM 691 CB GLU A 966 4.653 -8.142 -10.480 1.00 0.00 C ATOM 692 CG GLU A 966 6.038 -8.739 -10.636 1.00 0.00 C ATOM 693 CD GLU A 966 7.016 -7.815 -11.311 1.00 0.00 C ATOM 694 OE1 GLU A 966 6.857 -7.547 -12.519 1.00 0.00 O ATOM 695 OE2 GLU A 966 7.959 -7.344 -10.656 1.00 0.00 O ATOM 0 H GLU A 966 2.310 -7.534 -10.177 1.00 0.00 H new ATOM 0 HA GLU A 966 3.644 -10.037 -10.363 1.00 0.00 H new ATOM 0 HB2 GLU A 966 4.279 -7.852 -11.462 1.00 0.00 H new ATOM 0 HB3 GLU A 966 4.724 -7.232 -9.884 1.00 0.00 H new ATOM 0 HG2 GLU A 966 6.423 -9.007 -9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 966 5.965 -9.662 -11.212 1.00 0.00 H new ATOM 702 N LEU A 967 3.484 -8.624 -7.435 1.00 0.00 N ATOM 703 CA LEU A 967 3.688 -8.846 -6.017 1.00 0.00 C ATOM 704 C LEU A 967 3.200 -10.234 -5.647 1.00 0.00 C ATOM 705 O LEU A 967 2.005 -10.525 -5.704 1.00 0.00 O ATOM 706 CB LEU A 967 2.947 -7.756 -5.226 1.00 0.00 C ATOM 707 CG LEU A 967 3.674 -6.409 -5.137 1.00 0.00 C ATOM 708 CD1 LEU A 967 2.792 -5.356 -4.491 1.00 0.00 C ATOM 709 CD2 LEU A 967 4.958 -6.552 -4.342 1.00 0.00 C ATOM 0 H LEU A 967 2.876 -7.833 -7.645 1.00 0.00 H new ATOM 0 HA LEU A 967 4.748 -8.787 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 967 1.972 -7.595 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 967 2.767 -8.122 -4.215 1.00 0.00 H new ATOM 0 HG LEU A 967 3.912 -6.091 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 967 3.332 -4.410 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 967 1.887 -5.226 -5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 967 2.523 -5.675 -3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 967 5.462 -5.587 -4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 967 4.726 -6.897 -3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 967 5.610 -7.275 -4.831 1.00 0.00 H new ATOM 721 N THR A 968 4.134 -11.098 -5.318 1.00 0.00 N ATOM 722 CA THR A 968 3.828 -12.473 -5.024 1.00 0.00 C ATOM 723 C THR A 968 4.160 -12.827 -3.582 1.00 0.00 C ATOM 724 O THR A 968 4.666 -12.003 -2.819 1.00 0.00 O ATOM 725 CB THR A 968 4.603 -13.406 -5.979 1.00 0.00 C ATOM 726 OG1 THR A 968 6.001 -13.048 -6.004 1.00 0.00 O ATOM 727 CG2 THR A 968 4.030 -13.353 -7.390 1.00 0.00 C ATOM 0 H THR A 968 5.124 -10.864 -5.248 1.00 0.00 H new ATOM 0 HA THR A 968 2.756 -12.609 -5.167 1.00 0.00 H new ATOM 0 HB THR A 968 4.499 -14.425 -5.606 1.00 0.00 H new ATOM 0 HG1 THR A 968 6.482 -13.648 -6.612 1.00 0.00 H new ATOM 0 HG21 THR A 968 4.597 -14.021 -8.038 1.00 0.00 H new ATOM 0 HG22 THR A 968 2.986 -13.666 -7.371 1.00 0.00 H new ATOM 0 HG23 THR A 968 4.096 -12.334 -7.772 1.00 0.00 H new ATOM 735 N CYS A 969 3.866 -14.046 -3.215 1.00 0.00 N ATOM 736 CA CYS A 969 4.160 -14.530 -1.894 1.00 0.00 C ATOM 737 C CYS A 969 5.415 -15.404 -1.906 1.00 0.00 C ATOM 738 O CYS A 969 5.661 -16.131 -2.876 1.00 0.00 O ATOM 739 CB CYS A 969 2.963 -15.326 -1.401 1.00 0.00 C ATOM 740 SG CYS A 969 2.418 -16.581 -2.574 1.00 0.00 S ATOM 0 H CYS A 969 3.416 -14.730 -3.823 1.00 0.00 H new ATOM 0 HA CYS A 969 4.350 -13.690 -1.226 1.00 0.00 H new ATOM 0 HB2 CYS A 969 3.218 -15.806 -0.456 1.00 0.00 H new ATOM 0 HB3 CYS A 969 2.138 -14.643 -1.199 1.00 0.00 H new ATOM 0 HG CYS A 969 1.202 -16.322 -2.953 1.00 0.00 H new ATOM 746 N PRO A 970 6.240 -15.321 -0.852 1.00 0.00 N ATOM 747 CA PRO A 970 7.392 -16.207 -0.668 1.00 0.00 C ATOM 748 C PRO A 970 6.903 -17.597 -0.233 1.00 0.00 C ATOM 749 O PRO A 970 5.688 -17.800 -0.135 1.00 0.00 O ATOM 750 CB PRO A 970 8.171 -15.503 0.451 1.00 0.00 C ATOM 751 CG PRO A 970 7.128 -14.833 1.248 1.00 0.00 C ATOM 752 CD PRO A 970 6.125 -14.353 0.244 1.00 0.00 C ATOM 0 HA PRO A 970 7.994 -16.367 -1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 970 8.736 -16.215 1.052 1.00 0.00 H new ATOM 0 HB3 PRO A 970 8.887 -14.787 0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 970 6.674 -15.520 1.962 1.00 0.00 H new ATOM 0 HG3 PRO A 970 7.541 -14.003 1.822 1.00 0.00 H new ATOM 0 HD2 PRO A 970 5.118 -14.337 0.660 1.00 0.00 H new ATOM 0 HD3 PRO A 970 6.347 -13.340 -0.091 1.00 0.00 H new ATOM 760 N PRO A 971 7.794 -18.579 0.009 1.00 0.00 N ATOM 761 CA PRO A 971 7.374 -19.923 0.430 1.00 0.00 C ATOM 762 C PRO A 971 6.478 -19.947 1.665 1.00 0.00 C ATOM 763 O PRO A 971 5.400 -20.546 1.634 1.00 0.00 O ATOM 764 CB PRO A 971 8.688 -20.649 0.709 1.00 0.00 C ATOM 765 CG PRO A 971 9.698 -19.933 -0.114 1.00 0.00 C ATOM 766 CD PRO A 971 9.260 -18.498 -0.160 1.00 0.00 C ATOM 0 HA PRO A 971 6.761 -20.387 -0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 971 8.943 -20.613 1.768 1.00 0.00 H new ATOM 0 HB3 PRO A 971 8.625 -21.701 0.432 1.00 0.00 H new ATOM 0 HG2 PRO A 971 10.692 -20.023 0.325 1.00 0.00 H new ATOM 0 HG3 PRO A 971 9.753 -20.356 -1.117 1.00 0.00 H new ATOM 0 HD2 PRO A 971 9.724 -17.911 0.633 1.00 0.00 H new ATOM 0 HD3 PRO A 971 9.530 -18.026 -1.105 1.00 0.00 H new ATOM 774 N GLY A 972 6.904 -19.295 2.733 1.00 0.00 N ATOM 775 CA GLY A 972 6.138 -19.319 3.954 1.00 0.00 C ATOM 776 C GLY A 972 4.901 -18.460 3.890 1.00 0.00 C ATOM 777 O GLY A 972 3.837 -18.870 4.341 1.00 0.00 O ATOM 0 H GLY A 972 7.766 -18.751 2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 972 5.849 -20.347 4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 972 6.767 -18.980 4.778 1.00 0.00 H new ATOM 781 N TRP A 973 5.035 -17.246 3.395 1.00 0.00 N ATOM 782 CA TRP A 973 3.889 -16.358 3.309 1.00 0.00 C ATOM 783 C TRP A 973 2.849 -16.786 2.279 1.00 0.00 C ATOM 784 O TRP A 973 3.152 -17.069 1.127 1.00 0.00 O ATOM 785 CB TRP A 973 4.347 -14.913 3.140 1.00 0.00 C ATOM 786 CG TRP A 973 5.013 -14.393 4.376 1.00 0.00 C ATOM 787 CD1 TRP A 973 6.350 -14.243 4.602 1.00 0.00 C ATOM 788 CD2 TRP A 973 4.362 -14.008 5.581 1.00 0.00 C ATOM 789 NE1 TRP A 973 6.561 -13.763 5.872 1.00 0.00 N ATOM 790 CE2 TRP A 973 5.353 -13.611 6.494 1.00 0.00 C ATOM 791 CE3 TRP A 973 3.034 -13.952 5.968 1.00 0.00 C ATOM 792 CZ2 TRP A 973 5.046 -13.167 7.778 1.00 0.00 C ATOM 793 CZ3 TRP A 973 2.725 -13.523 7.237 1.00 0.00 C ATOM 794 CH2 TRP A 973 3.727 -13.134 8.134 1.00 0.00 C ATOM 0 H TRP A 973 5.911 -16.854 3.050 1.00 0.00 H new ATOM 0 HA TRP A 973 3.357 -16.430 4.258 1.00 0.00 H new ATOM 0 HB2 TRP A 973 5.038 -14.847 2.299 1.00 0.00 H new ATOM 0 HB3 TRP A 973 3.489 -14.286 2.898 1.00 0.00 H new ATOM 0 HD1 TRP A 973 7.128 -14.468 3.888 1.00 0.00 H new ATOM 0 HE1 TRP A 973 7.471 -13.554 6.284 1.00 0.00 H new ATOM 0 HE3 TRP A 973 2.251 -14.241 5.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 973 5.820 -12.861 8.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 973 1.691 -13.485 7.547 1.00 0.00 H new ATOM 0 HH2 TRP A 973 3.453 -12.802 9.124 1.00 0.00 H new ATOM 805 N GLU A 974 1.625 -16.807 2.749 1.00 0.00 N ATOM 806 CA GLU A 974 0.447 -17.300 2.064 1.00 0.00 C ATOM 807 C GLU A 974 -0.560 -16.168 1.891 1.00 0.00 C ATOM 808 O GLU A 974 -0.646 -15.277 2.739 1.00 0.00 O ATOM 809 CB GLU A 974 -0.157 -18.401 2.950 1.00 0.00 C ATOM 810 CG GLU A 974 -1.515 -18.937 2.534 1.00 0.00 C ATOM 811 CD GLU A 974 -1.482 -19.651 1.201 1.00 0.00 C ATOM 812 OE1 GLU A 974 -1.347 -18.988 0.159 1.00 0.00 O ATOM 813 OE2 GLU A 974 -1.538 -20.901 1.171 1.00 0.00 O ATOM 0 H GLU A 974 1.408 -16.457 3.682 1.00 0.00 H new ATOM 0 HA GLU A 974 0.701 -17.686 1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 974 0.544 -19.235 2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 974 -0.239 -18.014 3.966 1.00 0.00 H new ATOM 0 HG2 GLU A 974 -1.879 -19.623 3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 974 -2.225 -18.112 2.481 1.00 0.00 H new ATOM 820 N TRP A 975 -1.249 -16.162 0.772 1.00 0.00 N ATOM 821 CA TRP A 975 -2.328 -15.207 0.567 1.00 0.00 C ATOM 822 C TRP A 975 -3.650 -15.745 1.081 1.00 0.00 C ATOM 823 O TRP A 975 -3.870 -16.953 1.150 1.00 0.00 O ATOM 824 CB TRP A 975 -2.493 -14.798 -0.896 1.00 0.00 C ATOM 825 CG TRP A 975 -1.313 -14.107 -1.469 1.00 0.00 C ATOM 826 CD1 TRP A 975 -0.557 -14.558 -2.493 1.00 0.00 C ATOM 827 CD2 TRP A 975 -0.744 -12.852 -1.055 1.00 0.00 C ATOM 828 NE1 TRP A 975 0.434 -13.668 -2.768 1.00 0.00 N ATOM 829 CE2 TRP A 975 0.357 -12.615 -1.897 1.00 0.00 C ATOM 830 CE3 TRP A 975 -1.052 -11.905 -0.064 1.00 0.00 C ATOM 831 CZ2 TRP A 975 1.153 -11.480 -1.781 1.00 0.00 C ATOM 832 CZ3 TRP A 975 -0.256 -10.780 0.044 1.00 0.00 C ATOM 833 CH2 TRP A 975 0.833 -10.577 -0.806 1.00 0.00 C ATOM 0 H TRP A 975 -1.088 -16.800 -0.007 1.00 0.00 H new ATOM 0 HA TRP A 975 -2.044 -14.322 1.136 1.00 0.00 H new ATOM 0 HB2 TRP A 975 -2.703 -15.688 -1.489 1.00 0.00 H new ATOM 0 HB3 TRP A 975 -3.361 -14.145 -0.984 1.00 0.00 H new ATOM 0 HD1 TRP A 975 -0.716 -15.489 -3.017 1.00 0.00 H new ATOM 0 HE1 TRP A 975 1.128 -13.770 -3.509 1.00 0.00 H new ATOM 0 HE3 TRP A 975 -1.892 -12.053 0.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 975 1.994 -11.318 -2.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 975 -0.481 -10.043 0.801 1.00 0.00 H new ATOM 0 HH2 TRP A 975 1.435 -9.688 -0.691 1.00 0.00 H new ATOM 844 N GLU A 976 -4.507 -14.823 1.457 1.00 0.00 N ATOM 845 CA GLU A 976 -5.842 -15.144 1.934 1.00 0.00 C ATOM 846 C GLU A 976 -6.871 -14.175 1.351 1.00 0.00 C ATOM 847 O GLU A 976 -7.987 -14.561 1.005 1.00 0.00 O ATOM 848 CB GLU A 976 -5.880 -15.097 3.466 1.00 0.00 C ATOM 849 CG GLU A 976 -7.274 -15.266 4.046 1.00 0.00 C ATOM 850 CD GLU A 976 -7.285 -15.324 5.549 1.00 0.00 C ATOM 851 OE1 GLU A 976 -7.327 -14.267 6.213 1.00 0.00 O ATOM 852 OE2 GLU A 976 -7.253 -16.438 6.107 1.00 0.00 O ATOM 0 H GLU A 976 -4.301 -13.824 1.442 1.00 0.00 H new ATOM 0 HA GLU A 976 -6.093 -16.152 1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 976 -5.234 -15.881 3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 976 -5.469 -14.145 3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 976 -7.901 -14.438 3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 976 -7.718 -16.180 3.650 1.00 0.00 H new ATOM 859 N ASP A 977 -6.469 -12.926 1.214 1.00 0.00 N ATOM 860 CA ASP A 977 -7.374 -11.875 0.789 1.00 0.00 C ATOM 861 C ASP A 977 -7.651 -11.878 -0.692 1.00 0.00 C ATOM 862 O ASP A 977 -6.808 -12.291 -1.491 1.00 0.00 O ATOM 863 CB ASP A 977 -6.898 -10.518 1.264 1.00 0.00 C ATOM 864 CG ASP A 977 -7.263 -10.347 2.711 1.00 0.00 C ATOM 865 OD1 ASP A 977 -6.608 -10.953 3.568 1.00 0.00 O ATOM 866 OD2 ASP A 977 -8.281 -9.674 3.004 1.00 0.00 O ATOM 0 H ASP A 977 -5.515 -12.613 1.392 1.00 0.00 H new ATOM 0 HA ASP A 977 -8.330 -12.090 1.266 1.00 0.00 H new ATOM 0 HB2 ASP A 977 -5.819 -10.432 1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 977 -7.354 -9.729 0.666 1.00 0.00 H new ATOM 871 N ASP A 978 -8.853 -11.426 -1.026 1.00 0.00 N ATOM 872 CA ASP A 978 -9.363 -11.352 -2.400 1.00 0.00 C ATOM 873 C ASP A 978 -8.452 -10.571 -3.336 1.00 0.00 C ATOM 874 O ASP A 978 -8.064 -11.078 -4.390 1.00 0.00 O ATOM 875 CB ASP A 978 -10.764 -10.725 -2.384 1.00 0.00 C ATOM 876 CG ASP A 978 -11.290 -10.342 -3.758 1.00 0.00 C ATOM 877 OD1 ASP A 978 -11.493 -11.222 -4.611 1.00 0.00 O ATOM 878 OD2 ASP A 978 -11.527 -9.135 -3.998 1.00 0.00 O ATOM 0 H ASP A 978 -9.523 -11.090 -0.334 1.00 0.00 H new ATOM 0 HA ASP A 978 -9.402 -12.370 -2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 978 -11.459 -11.427 -1.924 1.00 0.00 H new ATOM 0 HB3 ASP A 978 -10.745 -9.836 -1.754 1.00 0.00 H new ATOM 883 N ALA A 979 -8.080 -9.366 -2.943 1.00 0.00 N ATOM 884 CA ALA A 979 -7.302 -8.497 -3.804 1.00 0.00 C ATOM 885 C ALA A 979 -6.787 -7.317 -3.027 1.00 0.00 C ATOM 886 O ALA A 979 -7.203 -7.077 -1.888 1.00 0.00 O ATOM 887 CB ALA A 979 -8.138 -8.001 -4.972 1.00 0.00 C ATOM 0 H ALA A 979 -8.305 -8.967 -2.031 1.00 0.00 H new ATOM 0 HA ALA A 979 -6.462 -9.074 -4.190 1.00 0.00 H new ATOM 0 HB1 ALA A 979 -7.532 -7.351 -5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 979 -8.487 -8.852 -5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 979 -8.996 -7.444 -4.595 1.00 0.00 H new ATOM 893 N TRP A 980 -5.869 -6.605 -3.643 1.00 0.00 N ATOM 894 CA TRP A 980 -5.312 -5.420 -3.042 1.00 0.00 C ATOM 895 C TRP A 980 -6.359 -4.333 -3.146 1.00 0.00 C ATOM 896 O TRP A 980 -6.718 -3.906 -4.243 1.00 0.00 O ATOM 897 CB TRP A 980 -4.015 -4.998 -3.720 1.00 0.00 C ATOM 898 CG TRP A 980 -2.962 -6.070 -3.734 1.00 0.00 C ATOM 899 CD1 TRP A 980 -2.980 -7.229 -4.459 1.00 0.00 C ATOM 900 CD2 TRP A 980 -1.713 -6.066 -3.028 1.00 0.00 C ATOM 901 NE1 TRP A 980 -1.836 -7.948 -4.235 1.00 0.00 N ATOM 902 CE2 TRP A 980 -1.035 -7.255 -3.373 1.00 0.00 C ATOM 903 CE3 TRP A 980 -1.101 -5.180 -2.139 1.00 0.00 C ATOM 904 CZ2 TRP A 980 0.218 -7.573 -2.867 1.00 0.00 C ATOM 905 CZ3 TRP A 980 0.145 -5.497 -1.635 1.00 0.00 C ATOM 906 CH2 TRP A 980 0.794 -6.684 -2.002 1.00 0.00 C ATOM 0 H TRP A 980 -5.493 -6.830 -4.564 1.00 0.00 H new ATOM 0 HA TRP A 980 -5.058 -5.614 -2.000 1.00 0.00 H new ATOM 0 HB2 TRP A 980 -4.232 -4.701 -4.746 1.00 0.00 H new ATOM 0 HB3 TRP A 980 -3.619 -4.119 -3.211 1.00 0.00 H new ATOM 0 HD1 TRP A 980 -3.782 -7.534 -5.115 1.00 0.00 H new ATOM 0 HE1 TRP A 980 -1.617 -8.856 -4.646 1.00 0.00 H new ATOM 0 HE3 TRP A 980 -1.593 -4.263 -1.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 980 0.719 -8.488 -3.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 980 0.627 -4.819 -0.947 1.00 0.00 H new ATOM 0 HH2 TRP A 980 1.770 -6.901 -1.593 1.00 0.00 H new ATOM 917 N SER A 981 -6.847 -3.903 -2.017 1.00 0.00 N ATOM 918 CA SER A 981 -7.965 -2.984 -1.957 1.00 0.00 C ATOM 919 C SER A 981 -7.553 -1.759 -1.159 1.00 0.00 C ATOM 920 O SER A 981 -6.762 -1.875 -0.249 1.00 0.00 O ATOM 921 CB SER A 981 -9.158 -3.718 -1.338 1.00 0.00 C ATOM 922 OG SER A 981 -8.725 -4.590 -0.297 1.00 0.00 O ATOM 0 H SER A 981 -6.484 -4.177 -1.104 1.00 0.00 H new ATOM 0 HA SER A 981 -8.260 -2.641 -2.949 1.00 0.00 H new ATOM 0 HB2 SER A 981 -9.871 -2.995 -0.941 1.00 0.00 H new ATOM 0 HB3 SER A 981 -9.678 -4.290 -2.106 1.00 0.00 H new ATOM 0 HG SER A 981 -9.500 -5.050 0.088 1.00 0.00 H new ATOM 928 N TYR A 982 -8.093 -0.606 -1.457 1.00 0.00 N ATOM 929 CA TYR A 982 -7.620 0.617 -0.831 1.00 0.00 C ATOM 930 C TYR A 982 -8.086 0.714 0.610 1.00 0.00 C ATOM 931 O TYR A 982 -9.268 0.547 0.919 1.00 0.00 O ATOM 932 CB TYR A 982 -7.995 1.849 -1.675 1.00 0.00 C ATOM 933 CG TYR A 982 -9.335 1.755 -2.376 1.00 0.00 C ATOM 934 CD1 TYR A 982 -9.473 0.964 -3.510 1.00 0.00 C ATOM 935 CD2 TYR A 982 -10.447 2.441 -1.916 1.00 0.00 C ATOM 936 CE1 TYR A 982 -10.681 0.857 -4.169 1.00 0.00 C ATOM 937 CE2 TYR A 982 -11.661 2.342 -2.570 1.00 0.00 C ATOM 938 CZ TYR A 982 -11.772 1.550 -3.694 1.00 0.00 C ATOM 939 OH TYR A 982 -12.984 1.440 -4.342 1.00 0.00 O ATOM 0 H TYR A 982 -8.855 -0.480 -2.123 1.00 0.00 H new ATOM 0 HA TYR A 982 -6.531 0.589 -0.794 1.00 0.00 H new ATOM 0 HB2 TYR A 982 -8.000 2.727 -1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 982 -7.219 2.009 -2.424 1.00 0.00 H new ATOM 0 HD1 TYR A 982 -8.617 0.422 -3.884 1.00 0.00 H new ATOM 0 HD2 TYR A 982 -10.365 3.061 -1.035 1.00 0.00 H new ATOM 0 HE1 TYR A 982 -10.770 0.236 -5.048 1.00 0.00 H new ATOM 0 HE2 TYR A 982 -12.520 2.883 -2.202 1.00 0.00 H new ATOM 0 HH TYR A 982 -13.652 1.990 -3.882 1.00 0.00 H new ATOM 949 N ASP A 983 -7.128 0.982 1.479 1.00 0.00 N ATOM 950 CA ASP A 983 -7.323 0.914 2.916 1.00 0.00 C ATOM 951 C ASP A 983 -7.838 2.231 3.451 1.00 0.00 C ATOM 952 O ASP A 983 -7.357 3.293 3.069 1.00 0.00 O ATOM 953 CB ASP A 983 -6.008 0.561 3.609 1.00 0.00 C ATOM 954 CG ASP A 983 -6.145 0.482 5.114 1.00 0.00 C ATOM 955 OD1 ASP A 983 -6.567 -0.563 5.623 1.00 0.00 O ATOM 956 OD2 ASP A 983 -5.813 1.461 5.811 1.00 0.00 O ATOM 0 H ASP A 983 -6.184 1.255 1.205 1.00 0.00 H new ATOM 0 HA ASP A 983 -8.061 0.139 3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 983 -5.648 -0.395 3.230 1.00 0.00 H new ATOM 0 HB3 ASP A 983 -5.256 1.308 3.355 1.00 0.00 H new ATOM 961 N ILE A 984 -8.829 2.152 4.313 1.00 0.00 N ATOM 962 CA ILE A 984 -9.428 3.331 4.917 1.00 0.00 C ATOM 963 C ILE A 984 -9.198 3.349 6.425 1.00 0.00 C ATOM 964 O ILE A 984 -9.916 4.013 7.162 1.00 0.00 O ATOM 965 CB ILE A 984 -10.945 3.367 4.631 1.00 0.00 C ATOM 966 CG1 ILE A 984 -11.610 2.057 5.096 1.00 0.00 C ATOM 967 CG2 ILE A 984 -11.190 3.617 3.150 1.00 0.00 C ATOM 968 CD1 ILE A 984 -13.111 2.010 4.898 1.00 0.00 C ATOM 0 H ILE A 984 -9.244 1.271 4.617 1.00 0.00 H new ATOM 0 HA ILE A 984 -8.953 4.209 4.478 1.00 0.00 H new ATOM 0 HB ILE A 984 -11.395 4.186 5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 984 -11.159 1.224 4.557 1.00 0.00 H new ATOM 0 HG13 ILE A 984 -11.391 1.908 6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 984 -12.263 3.641 2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 984 -10.749 4.572 2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 984 -10.734 2.818 2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 984 -13.495 1.053 5.252 1.00 0.00 H new ATOM 0 HD12 ILE A 984 -13.578 2.819 5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 984 -13.342 2.124 3.839 1.00 0.00 H new ATOM 980 N ASN A 985 -8.155 2.682 6.876 1.00 0.00 N ATOM 981 CA ASN A 985 -7.896 2.546 8.306 1.00 0.00 C ATOM 982 C ASN A 985 -6.799 3.526 8.746 1.00 0.00 C ATOM 983 O ASN A 985 -6.284 3.464 9.862 1.00 0.00 O ATOM 984 CB ASN A 985 -7.510 1.079 8.585 1.00 0.00 C ATOM 985 CG ASN A 985 -7.323 0.718 10.049 1.00 0.00 C ATOM 986 OD1 ASN A 985 -6.217 0.782 10.595 1.00 0.00 O ATOM 987 ND2 ASN A 985 -8.401 0.339 10.703 1.00 0.00 N ATOM 0 H ASN A 985 -7.469 2.223 6.277 1.00 0.00 H new ATOM 0 HA ASN A 985 -8.786 2.794 8.885 1.00 0.00 H new ATOM 0 HB2 ASN A 985 -8.281 0.433 8.165 1.00 0.00 H new ATOM 0 HB3 ASN A 985 -6.584 0.858 8.053 1.00 0.00 H new ATOM 0 HD21 ASN A 985 -8.337 0.088 11.690 1.00 0.00 H new ATOM 0 HD22 ASN A 985 -9.300 0.297 10.223 1.00 0.00 H new ATOM 994 N ARG A 986 -6.506 4.514 7.908 1.00 0.00 N ATOM 995 CA ARG A 986 -5.408 5.452 8.155 1.00 0.00 C ATOM 996 C ARG A 986 -5.883 6.848 7.790 1.00 0.00 C ATOM 997 O ARG A 986 -7.058 7.020 7.427 1.00 0.00 O ATOM 998 CB ARG A 986 -4.138 5.125 7.333 1.00 0.00 C ATOM 999 CG ARG A 986 -3.244 4.018 7.886 1.00 0.00 C ATOM 1000 CD ARG A 986 -3.887 2.652 7.808 1.00 0.00 C ATOM 1001 NE ARG A 986 -3.097 1.613 8.463 1.00 0.00 N ATOM 1002 CZ ARG A 986 -3.396 0.313 8.424 1.00 0.00 C ATOM 1003 NH1 ARG A 986 -4.424 -0.118 7.701 1.00 0.00 N ATOM 1004 NH2 ARG A 986 -2.648 -0.562 9.079 1.00 0.00 N ATOM 0 H ARG A 986 -7.017 4.690 7.043 1.00 0.00 H new ATOM 0 HA ARG A 986 -5.137 5.376 9.208 1.00 0.00 H new ATOM 0 HB2 ARG A 986 -4.445 4.846 6.325 1.00 0.00 H new ATOM 0 HB3 ARG A 986 -3.543 6.034 7.245 1.00 0.00 H new ATOM 0 HG2 ARG A 986 -2.305 4.005 7.332 1.00 0.00 H new ATOM 0 HG3 ARG A 986 -2.998 4.240 8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 986 -4.875 2.694 8.268 1.00 0.00 H new ATOM 0 HD3 ARG A 986 -4.034 2.384 6.762 1.00 0.00 H new ATOM 0 HE ARG A 986 -2.266 1.898 8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 986 -4.989 0.546 7.172 1.00 0.00 H new ATOM 0 HH12 ARG A 986 -4.648 -1.113 7.675 1.00 0.00 H new ATOM 0 HH21 ARG A 986 -1.841 -0.243 9.615 1.00 0.00 H new ATOM 0 HH22 ARG A 986 -2.879 -1.555 9.047 1.00 0.00 H new ATOM 1018 N ALA A 987 -4.997 7.838 7.884 1.00 0.00 N ATOM 1019 CA ALA A 987 -5.326 9.200 7.491 1.00 0.00 C ATOM 1020 C ALA A 987 -5.275 9.316 5.974 1.00 0.00 C ATOM 1021 O ALA A 987 -4.295 9.785 5.387 1.00 0.00 O ATOM 1022 CB ALA A 987 -4.393 10.208 8.151 1.00 0.00 C ATOM 0 H ALA A 987 -4.045 7.718 8.230 1.00 0.00 H new ATOM 0 HA ALA A 987 -6.336 9.430 7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 987 -4.665 11.216 7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 987 -4.481 10.130 9.235 1.00 0.00 H new ATOM 0 HB3 ALA A 987 -3.365 10.001 7.854 1.00 0.00 H new ATOM 1028 N VAL A 988 -6.309 8.779 5.360 1.00 0.00 N ATOM 1029 CA VAL A 988 -6.461 8.705 3.922 1.00 0.00 C ATOM 1030 C VAL A 988 -7.916 8.955 3.562 1.00 0.00 C ATOM 1031 O VAL A 988 -8.814 8.744 4.395 1.00 0.00 O ATOM 1032 CB VAL A 988 -6.056 7.311 3.371 1.00 0.00 C ATOM 1033 CG1 VAL A 988 -4.571 7.041 3.552 1.00 0.00 C ATOM 1034 CG2 VAL A 988 -6.865 6.208 4.036 1.00 0.00 C ATOM 0 H VAL A 988 -7.093 8.368 5.866 1.00 0.00 H new ATOM 0 HA VAL A 988 -5.808 9.457 3.479 1.00 0.00 H new ATOM 0 HB VAL A 988 -6.272 7.317 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 988 -4.329 6.056 3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 988 -3.996 7.799 3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 988 -4.322 7.075 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 988 -6.563 5.241 3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 988 -6.687 6.224 5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 988 -7.926 6.367 3.841 1.00 0.00 H new ATOM 1044 N ASP A 989 -8.128 9.477 2.365 1.00 0.00 N ATOM 1045 CA ASP A 989 -9.470 9.658 1.799 1.00 0.00 C ATOM 1046 C ASP A 989 -10.246 8.334 1.782 1.00 0.00 C ATOM 1047 O ASP A 989 -9.673 7.263 2.007 1.00 0.00 O ATOM 1048 CB ASP A 989 -9.330 10.192 0.366 1.00 0.00 C ATOM 1049 CG ASP A 989 -10.644 10.471 -0.331 1.00 0.00 C ATOM 1050 OD1 ASP A 989 -11.214 11.568 -0.128 1.00 0.00 O ATOM 1051 OD2 ASP A 989 -11.130 9.594 -1.071 1.00 0.00 O ATOM 0 H ASP A 989 -7.377 9.791 1.750 1.00 0.00 H new ATOM 0 HA ASP A 989 -10.023 10.365 2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 989 -8.744 11.111 0.390 1.00 0.00 H new ATOM 0 HB3 ASP A 989 -8.766 9.469 -0.224 1.00 0.00 H new ATOM 1056 N GLU A 990 -11.540 8.416 1.497 1.00 0.00 N ATOM 1057 CA GLU A 990 -12.407 7.255 1.358 1.00 0.00 C ATOM 1058 C GLU A 990 -11.850 6.261 0.394 1.00 0.00 C ATOM 1059 O GLU A 990 -12.075 5.058 0.506 1.00 0.00 O ATOM 1060 CB GLU A 990 -13.775 7.663 0.861 1.00 0.00 C ATOM 1061 CG GLU A 990 -14.538 8.479 1.852 1.00 0.00 C ATOM 1062 CD GLU A 990 -15.925 8.792 1.369 1.00 0.00 C ATOM 1063 OE1 GLU A 990 -16.097 9.751 0.584 1.00 0.00 O ATOM 1064 OE2 GLU A 990 -16.861 8.055 1.738 1.00 0.00 O ATOM 0 H GLU A 990 -12.022 9.303 1.354 1.00 0.00 H new ATOM 0 HA GLU A 990 -12.479 6.803 2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 990 -13.665 8.232 -0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 990 -14.348 6.769 0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 990 -14.596 7.941 2.798 1.00 0.00 H new ATOM 0 HG3 GLU A 990 -14.003 9.408 2.046 1.00 0.00 H new ATOM 1071 N LYS A 991 -11.164 6.760 -0.585 1.00 0.00 N ATOM 1072 CA LYS A 991 -10.659 5.893 -1.586 1.00 0.00 C ATOM 1073 C LYS A 991 -9.154 5.666 -1.406 1.00 0.00 C ATOM 1074 O LYS A 991 -8.464 5.191 -2.312 1.00 0.00 O ATOM 1075 CB LYS A 991 -11.052 6.489 -2.926 1.00 0.00 C ATOM 1076 CG LYS A 991 -12.543 6.813 -2.957 1.00 0.00 C ATOM 1077 CD LYS A 991 -13.407 5.575 -2.764 1.00 0.00 C ATOM 1078 CE LYS A 991 -14.877 5.940 -2.649 1.00 0.00 C ATOM 1079 NZ LYS A 991 -15.710 4.784 -2.241 1.00 0.00 N ATOM 0 H LYS A 991 -10.946 7.749 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 991 -11.087 4.893 -1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 991 -10.474 7.395 -3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 991 -10.810 5.789 -3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 991 -12.771 7.538 -2.176 1.00 0.00 H new ATOM 0 HG3 LYS A 991 -12.791 7.282 -3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 991 -13.264 4.895 -3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 991 -13.091 5.044 -1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 991 -14.994 6.745 -1.923 1.00 0.00 H new ATOM 0 HE3 LYS A 991 -15.231 6.321 -3.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 991 -16.705 5.079 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 991 -15.620 4.025 -2.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 991 -15.390 4.436 -1.315 1.00 0.00 H new ATOM 1093 N GLY A 992 -8.655 6.027 -0.225 1.00 0.00 N ATOM 1094 CA GLY A 992 -7.276 5.766 0.158 1.00 0.00 C ATOM 1095 C GLY A 992 -6.333 6.880 -0.233 1.00 0.00 C ATOM 1096 O GLY A 992 -5.193 6.923 0.215 1.00 0.00 O ATOM 0 H GLY A 992 -9.199 6.509 0.491 1.00 0.00 H new ATOM 0 HA2 GLY A 992 -7.226 5.617 1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 992 -6.945 4.837 -0.307 1.00 0.00 H new ATOM 1100 N TRP A 993 -6.807 7.732 -1.118 1.00 0.00 N ATOM 1101 CA TRP A 993 -6.020 8.838 -1.650 1.00 0.00 C ATOM 1102 C TRP A 993 -5.510 9.812 -0.577 1.00 0.00 C ATOM 1103 O TRP A 993 -6.281 10.548 0.046 1.00 0.00 O ATOM 1104 CB TRP A 993 -6.825 9.603 -2.696 1.00 0.00 C ATOM 1105 CG TRP A 993 -7.252 8.784 -3.881 1.00 0.00 C ATOM 1106 CD1 TRP A 993 -8.530 8.450 -4.219 1.00 0.00 C ATOM 1107 CD2 TRP A 993 -6.408 8.203 -4.889 1.00 0.00 C ATOM 1108 NE1 TRP A 993 -8.534 7.714 -5.377 1.00 0.00 N ATOM 1109 CE2 TRP A 993 -7.247 7.556 -5.810 1.00 0.00 C ATOM 1110 CE3 TRP A 993 -5.031 8.175 -5.108 1.00 0.00 C ATOM 1111 CZ2 TRP A 993 -6.751 6.897 -6.929 1.00 0.00 C ATOM 1112 CZ3 TRP A 993 -4.539 7.520 -6.219 1.00 0.00 C ATOM 1113 CH2 TRP A 993 -5.399 6.892 -7.117 1.00 0.00 C ATOM 0 H TRP A 993 -7.754 7.681 -1.494 1.00 0.00 H new ATOM 0 HA TRP A 993 -5.138 8.386 -2.103 1.00 0.00 H new ATOM 0 HB2 TRP A 993 -7.713 10.018 -2.219 1.00 0.00 H new ATOM 0 HB3 TRP A 993 -6.229 10.445 -3.049 1.00 0.00 H new ATOM 0 HD1 TRP A 993 -9.411 8.725 -3.657 1.00 0.00 H new ATOM 0 HE1 TRP A 993 -9.364 7.344 -5.840 1.00 0.00 H new ATOM 0 HE3 TRP A 993 -4.358 8.660 -4.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 993 -7.413 6.405 -7.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 993 -3.474 7.494 -6.394 1.00 0.00 H new ATOM 0 HH2 TRP A 993 -4.987 6.390 -7.980 1.00 0.00 H new ATOM 1124 N GLU A 994 -4.213 9.790 -0.341 1.00 0.00 N ATOM 1125 CA GLU A 994 -3.538 10.728 0.531 1.00 0.00 C ATOM 1126 C GLU A 994 -2.830 11.826 -0.284 1.00 0.00 C ATOM 1127 O GLU A 994 -2.550 11.662 -1.495 1.00 0.00 O ATOM 1128 CB GLU A 994 -2.569 9.974 1.461 1.00 0.00 C ATOM 1129 CG GLU A 994 -1.849 8.809 0.788 1.00 0.00 C ATOM 1130 CD GLU A 994 -0.937 8.038 1.718 1.00 0.00 C ATOM 1131 OE1 GLU A 994 -1.427 7.474 2.713 1.00 0.00 O ATOM 1132 OE2 GLU A 994 0.278 7.946 1.454 1.00 0.00 O ATOM 0 H GLU A 994 -3.586 9.103 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 994 -4.276 11.231 1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 994 -1.827 10.675 1.843 1.00 0.00 H new ATOM 0 HB3 GLU A 994 -3.124 9.598 2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 994 -2.590 8.127 0.372 1.00 0.00 H new ATOM 0 HG3 GLU A 994 -1.263 9.190 -0.048 1.00 0.00 H new ATOM 1139 N TYR A 995 -2.548 12.929 0.413 1.00 0.00 N ATOM 1140 CA TYR A 995 -2.021 14.183 -0.150 1.00 0.00 C ATOM 1141 C TYR A 995 -0.536 14.079 -0.494 1.00 0.00 C ATOM 1142 O TYR A 995 0.299 14.112 0.385 1.00 0.00 O ATOM 1143 CB TYR A 995 -2.214 15.301 0.896 1.00 0.00 C ATOM 1144 CG TYR A 995 -2.243 16.725 0.356 1.00 0.00 C ATOM 1145 CD1 TYR A 995 -1.416 17.139 -0.678 1.00 0.00 C ATOM 1146 CD2 TYR A 995 -3.148 17.650 0.867 1.00 0.00 C ATOM 1147 CE1 TYR A 995 -1.482 18.424 -1.179 1.00 0.00 C ATOM 1148 CE2 TYR A 995 -3.223 18.937 0.366 1.00 0.00 C ATOM 1149 CZ TYR A 995 -2.384 19.318 -0.657 1.00 0.00 C ATOM 1150 OH TYR A 995 -2.464 20.584 -1.186 1.00 0.00 O ATOM 0 H TYR A 995 -2.684 12.979 1.423 1.00 0.00 H new ATOM 0 HA TYR A 995 -2.561 14.399 -1.072 1.00 0.00 H new ATOM 0 HB2 TYR A 995 -3.148 15.116 1.427 1.00 0.00 H new ATOM 0 HB3 TYR A 995 -1.410 15.228 1.629 1.00 0.00 H new ATOM 0 HD1 TYR A 995 -0.706 16.442 -1.099 1.00 0.00 H new ATOM 0 HD2 TYR A 995 -3.806 17.357 1.672 1.00 0.00 H new ATOM 0 HE1 TYR A 995 -0.825 18.726 -1.981 1.00 0.00 H new ATOM 0 HE2 TYR A 995 -3.935 19.639 0.775 1.00 0.00 H new ATOM 0 HH TYR A 995 -2.585 21.234 -0.462 1.00 0.00 H new ATOM 1160 N GLY A 996 -0.195 13.924 -1.756 1.00 0.00 N ATOM 1161 CA GLY A 996 1.206 13.956 -2.114 1.00 0.00 C ATOM 1162 C GLY A 996 1.576 15.207 -2.837 1.00 0.00 C ATOM 1163 O GLY A 996 1.517 15.296 -4.051 1.00 0.00 O ATOM 0 H GLY A 996 -0.845 13.779 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 996 1.812 13.867 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 996 1.439 13.095 -2.740 1.00 0.00 H new ATOM 1167 N ILE A 997 1.941 16.205 -2.109 1.00 0.00 N ATOM 1168 CA ILE A 997 2.312 17.450 -2.700 1.00 0.00 C ATOM 1169 C ILE A 997 3.830 17.540 -2.830 1.00 0.00 C ATOM 1170 O ILE A 997 4.567 17.284 -1.880 1.00 0.00 O ATOM 1171 CB ILE A 997 1.730 18.587 -1.838 1.00 0.00 C ATOM 1172 CG1 ILE A 997 2.355 19.920 -2.170 1.00 0.00 C ATOM 1173 CG2 ILE A 997 1.871 18.277 -0.355 1.00 0.00 C ATOM 1174 CD1 ILE A 997 1.778 21.050 -1.345 1.00 0.00 C ATOM 0 H ILE A 997 1.992 16.185 -1.090 1.00 0.00 H new ATOM 0 HA ILE A 997 1.907 17.536 -3.708 1.00 0.00 H new ATOM 0 HB ILE A 997 0.668 18.657 -2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 997 3.431 19.865 -2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 997 2.207 20.134 -3.228 1.00 0.00 H new ATOM 0 HG21 ILE A 997 1.452 19.096 0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 997 1.337 17.356 -0.123 1.00 0.00 H new ATOM 0 HG23 ILE A 997 2.926 18.157 -0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 997 2.261 21.987 -1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 997 0.707 21.126 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 997 1.950 20.853 -0.287 1.00 0.00 H new ATOM 1186 N THR A 998 4.290 17.840 -4.022 1.00 0.00 N ATOM 1187 CA THR A 998 5.696 17.985 -4.278 1.00 0.00 C ATOM 1188 C THR A 998 5.968 19.412 -4.743 1.00 0.00 C ATOM 1189 O THR A 998 5.980 19.709 -5.939 1.00 0.00 O ATOM 1190 CB THR A 998 6.162 16.968 -5.339 1.00 0.00 C ATOM 1191 OG1 THR A 998 5.689 15.666 -4.964 1.00 0.00 O ATOM 1192 CG2 THR A 998 7.684 16.946 -5.442 1.00 0.00 C ATOM 0 H THR A 998 3.697 17.990 -4.838 1.00 0.00 H new ATOM 0 HA THR A 998 6.255 17.789 -3.363 1.00 0.00 H new ATOM 0 HB THR A 998 5.759 17.256 -6.310 1.00 0.00 H new ATOM 0 HG1 THR A 998 5.977 15.009 -5.631 1.00 0.00 H new ATOM 0 HG21 THR A 998 7.987 16.221 -6.197 1.00 0.00 H new ATOM 0 HG22 THR A 998 8.044 17.935 -5.724 1.00 0.00 H new ATOM 0 HG23 THR A 998 8.110 16.666 -4.478 1.00 0.00 H new ATOM 1200 N ILE A 999 6.096 20.308 -3.788 1.00 0.00 N ATOM 1201 CA ILE A 999 6.363 21.697 -4.106 1.00 0.00 C ATOM 1202 C ILE A 999 7.815 22.031 -3.825 1.00 0.00 C ATOM 1203 O ILE A 999 8.342 21.699 -2.754 1.00 0.00 O ATOM 1204 CB ILE A 999 5.429 22.697 -3.375 1.00 0.00 C ATOM 1205 CG1 ILE A 999 5.399 22.440 -1.860 1.00 0.00 C ATOM 1206 CG2 ILE A 999 4.030 22.649 -3.978 1.00 0.00 C ATOM 1207 CD1 ILE A 999 4.604 23.466 -1.076 1.00 0.00 C ATOM 0 H ILE A 999 6.020 20.103 -2.792 1.00 0.00 H new ATOM 0 HA ILE A 999 6.155 21.810 -5.170 1.00 0.00 H new ATOM 0 HB ILE A 999 5.828 23.701 -3.517 1.00 0.00 H new ATOM 0 HG12 ILE A 999 4.977 21.452 -1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 999 6.422 22.424 -1.484 1.00 0.00 H new ATOM 0 HG21 ILE A 999 3.384 23.355 -3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 999 4.080 22.915 -5.034 1.00 0.00 H new ATOM 0 HG23 ILE A 999 3.624 21.643 -3.876 1.00 0.00 H new ATOM 0 HD11 ILE A 999 4.631 23.215 -0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 999 5.038 24.455 -1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 999 3.570 23.467 -1.422 1.00 0.00 H new ATOM 1219 N PRO A1000 8.487 22.662 -4.794 1.00 0.00 N ATOM 1220 CA PRO A1000 9.897 23.017 -4.673 1.00 0.00 C ATOM 1221 C PRO A1000 10.157 24.039 -3.564 1.00 0.00 C ATOM 1222 O PRO A1000 9.305 24.885 -3.270 1.00 0.00 O ATOM 1223 CB PRO A1000 10.245 23.601 -6.047 1.00 0.00 C ATOM 1224 CG PRO A1000 8.945 24.043 -6.618 1.00 0.00 C ATOM 1225 CD PRO A1000 7.922 23.078 -6.095 1.00 0.00 C ATOM 0 HA PRO A1000 10.506 22.155 -4.401 1.00 0.00 H new ATOM 0 HB2 PRO A1000 10.940 24.435 -5.956 1.00 0.00 H new ATOM 0 HB3 PRO A1000 10.722 22.856 -6.683 1.00 0.00 H new ATOM 0 HG2 PRO A1000 8.711 25.064 -6.315 1.00 0.00 H new ATOM 0 HG3 PRO A1000 8.972 24.032 -7.708 1.00 0.00 H new ATOM 0 HD2 PRO A1000 6.946 23.549 -5.978 1.00 0.00 H new ATOM 0 HD3 PRO A1000 7.788 22.230 -6.766 1.00 0.00 H new ATOM 1233 N PRO A1001 11.307 23.923 -2.889 1.00 0.00 N ATOM 1234 CA PRO A1001 12.261 22.865 -3.134 1.00 0.00 C ATOM 1235 C PRO A1001 12.029 21.652 -2.262 1.00 0.00 C ATOM 1236 O PRO A1001 11.835 21.743 -1.038 1.00 0.00 O ATOM 1237 CB PRO A1001 13.607 23.478 -2.802 1.00 0.00 C ATOM 1238 CG PRO A1001 13.309 24.774 -2.152 1.00 0.00 C ATOM 1239 CD PRO A1001 11.825 24.841 -1.889 1.00 0.00 C ATOM 0 HA PRO A1001 12.182 22.510 -4.161 1.00 0.00 H new ATOM 0 HB2 PRO A1001 14.179 22.830 -2.138 1.00 0.00 H new ATOM 0 HB3 PRO A1001 14.205 23.620 -3.702 1.00 0.00 H new ATOM 0 HG2 PRO A1001 13.865 24.868 -1.219 1.00 0.00 H new ATOM 0 HG3 PRO A1001 13.619 25.600 -2.792 1.00 0.00 H new ATOM 0 HD2 PRO A1001 11.574 24.527 -0.876 1.00 0.00 H new ATOM 0 HD3 PRO A1001 11.432 25.850 -2.016 1.00 0.00 H new ATOM 1247 N ASP A1002 12.117 20.550 -2.945 1.00 0.00 N ATOM 1248 CA ASP A1002 11.953 19.177 -2.440 1.00 0.00 C ATOM 1249 C ASP A1002 11.617 18.327 -3.653 1.00 0.00 C ATOM 1250 O ASP A1002 11.375 18.880 -4.727 1.00 0.00 O ATOM 1251 CB ASP A1002 10.818 19.025 -1.408 1.00 0.00 C ATOM 1252 CG ASP A1002 11.089 17.888 -0.439 1.00 0.00 C ATOM 1253 OD1 ASP A1002 11.042 16.716 -0.843 1.00 0.00 O ATOM 1254 OD2 ASP A1002 11.422 18.168 0.741 1.00 0.00 O ATOM 0 H ASP A1002 12.319 20.564 -3.945 1.00 0.00 H new ATOM 0 HA ASP A1002 12.869 18.880 -1.929 1.00 0.00 H new ATOM 0 HB2 ASP A1002 10.703 19.956 -0.853 1.00 0.00 H new ATOM 0 HB3 ASP A1002 9.876 18.845 -1.927 1.00 0.00 H new ATOM 1259 N HIS A1003 11.605 17.017 -3.522 1.00 0.00 N ATOM 1260 CA HIS A1003 11.280 16.137 -4.634 1.00 0.00 C ATOM 1261 C HIS A1003 10.630 14.869 -4.117 1.00 0.00 C ATOM 1262 O HIS A1003 10.726 13.805 -4.732 1.00 0.00 O ATOM 1263 CB HIS A1003 12.518 15.837 -5.510 1.00 0.00 C ATOM 1264 CG HIS A1003 13.710 15.228 -4.818 1.00 0.00 C ATOM 1265 ND1 HIS A1003 14.915 15.884 -4.699 1.00 0.00 N ATOM 1266 CD2 HIS A1003 13.909 13.998 -4.285 1.00 0.00 C ATOM 1267 CE1 HIS A1003 15.796 15.086 -4.131 1.00 0.00 C ATOM 1268 NE2 HIS A1003 15.215 13.936 -3.868 1.00 0.00 N ATOM 0 H HIS A1003 11.818 16.531 -2.651 1.00 0.00 H new ATOM 0 HA HIS A1003 10.566 16.648 -5.280 1.00 0.00 H new ATOM 0 HB2 HIS A1003 12.212 15.166 -6.312 1.00 0.00 H new ATOM 0 HB3 HIS A1003 12.836 16.768 -5.978 1.00 0.00 H new ATOM 0 HD2 HIS A1003 13.174 13.211 -4.203 1.00 0.00 H new ATOM 0 HE1 HIS A1003 16.825 15.335 -3.917 1.00 0.00 H new ATOM 0 HE2 HIS A1003 15.661 13.131 -3.427 1.00 0.00 H new ATOM 1277 N LYS A1004 9.871 15.030 -3.048 1.00 0.00 N ATOM 1278 CA LYS A1004 9.211 13.930 -2.360 1.00 0.00 C ATOM 1279 C LYS A1004 8.067 14.464 -1.526 1.00 0.00 C ATOM 1280 O LYS A1004 8.234 15.428 -0.779 1.00 0.00 O ATOM 1281 CB LYS A1004 10.152 13.165 -1.432 1.00 0.00 C ATOM 1282 CG LYS A1004 11.110 12.208 -2.117 1.00 0.00 C ATOM 1283 CD LYS A1004 12.128 11.690 -1.132 1.00 0.00 C ATOM 1284 CE LYS A1004 13.011 10.607 -1.732 1.00 0.00 C ATOM 1285 NZ LYS A1004 14.006 10.124 -0.747 1.00 0.00 N ATOM 0 H LYS A1004 9.692 15.941 -2.626 1.00 0.00 H new ATOM 0 HA LYS A1004 8.858 13.246 -3.132 1.00 0.00 H new ATOM 0 HB2 LYS A1004 10.734 13.886 -0.859 1.00 0.00 H new ATOM 0 HB3 LYS A1004 9.551 12.601 -0.718 1.00 0.00 H new ATOM 0 HG2 LYS A1004 10.555 11.375 -2.549 1.00 0.00 H new ATOM 0 HG3 LYS A1004 11.615 12.715 -2.939 1.00 0.00 H new ATOM 0 HD2 LYS A1004 12.751 12.516 -0.789 1.00 0.00 H new ATOM 0 HD3 LYS A1004 11.614 11.293 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A1004 12.393 9.774 -2.068 1.00 0.00 H new ATOM 0 HE3 LYS A1004 13.524 10.997 -2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A1004 14.595 9.386 -1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A1004 14.609 10.916 -0.446 1.00 0.00 H new ATOM 0 HZ3 LYS A1004 13.513 9.731 0.080 1.00 0.00 H new ATOM 1299 N PRO A1005 6.871 13.903 -1.686 1.00 0.00 N ATOM 1300 CA PRO A1005 5.753 14.231 -0.812 1.00 0.00 C ATOM 1301 C PRO A1005 6.011 13.694 0.584 1.00 0.00 C ATOM 1302 O PRO A1005 6.254 12.499 0.768 1.00 0.00 O ATOM 1303 CB PRO A1005 4.594 13.489 -1.453 1.00 0.00 C ATOM 1304 CG PRO A1005 5.017 13.271 -2.853 1.00 0.00 C ATOM 1305 CD PRO A1005 6.479 12.976 -2.752 1.00 0.00 C ATOM 0 HA PRO A1005 5.578 15.302 -0.709 1.00 0.00 H new ATOM 0 HB2 PRO A1005 4.400 12.544 -0.946 1.00 0.00 H new ATOM 0 HB3 PRO A1005 3.674 14.072 -1.403 1.00 0.00 H new ATOM 0 HG2 PRO A1005 4.474 12.443 -3.309 1.00 0.00 H new ATOM 0 HG3 PRO A1005 4.830 14.152 -3.467 1.00 0.00 H new ATOM 0 HD2 PRO A1005 6.674 11.936 -2.489 1.00 0.00 H new ATOM 0 HD3 PRO A1005 7.006 13.172 -3.686 1.00 0.00 H new ATOM 1313 N LYS A1006 5.963 14.563 1.563 1.00 0.00 N ATOM 1314 CA LYS A1006 6.309 14.182 2.925 1.00 0.00 C ATOM 1315 C LYS A1006 5.196 14.453 3.923 1.00 0.00 C ATOM 1316 O LYS A1006 5.386 14.309 5.128 1.00 0.00 O ATOM 1317 CB LYS A1006 7.572 14.948 3.303 1.00 0.00 C ATOM 1318 CG LYS A1006 7.457 16.453 3.101 1.00 0.00 C ATOM 1319 CD LYS A1006 8.816 17.124 3.168 1.00 0.00 C ATOM 1320 CE LYS A1006 8.722 18.597 2.810 1.00 0.00 C ATOM 1321 NZ LYS A1006 10.057 19.238 2.765 1.00 0.00 N ATOM 0 H LYS A1006 5.689 15.539 1.451 1.00 0.00 H new ATOM 0 HA LYS A1006 6.471 13.105 2.960 1.00 0.00 H new ATOM 0 HB2 LYS A1006 7.809 14.747 4.348 1.00 0.00 H new ATOM 0 HB3 LYS A1006 8.406 14.573 2.709 1.00 0.00 H new ATOM 0 HG2 LYS A1006 6.995 16.658 2.135 1.00 0.00 H new ATOM 0 HG3 LYS A1006 6.803 16.875 3.863 1.00 0.00 H new ATOM 0 HD2 LYS A1006 9.228 17.017 4.172 1.00 0.00 H new ATOM 0 HD3 LYS A1006 9.504 16.625 2.486 1.00 0.00 H new ATOM 0 HE2 LYS A1006 8.234 18.705 1.841 1.00 0.00 H new ATOM 0 HE3 LYS A1006 8.097 19.110 3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A1006 9.986 20.155 2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A1006 10.404 19.385 3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A1006 10.720 18.624 2.250 1.00 0.00 H new ATOM 1335 N SER A1007 4.040 14.824 3.436 1.00 0.00 N ATOM 1336 CA SER A1007 2.935 15.121 4.314 1.00 0.00 C ATOM 1337 C SER A1007 1.656 14.544 3.723 1.00 0.00 C ATOM 1338 O SER A1007 1.186 15.002 2.695 1.00 0.00 O ATOM 1339 CB SER A1007 2.878 16.642 4.502 1.00 0.00 C ATOM 1340 OG SER A1007 1.753 17.070 5.262 1.00 0.00 O ATOM 0 H SER A1007 3.839 14.928 2.441 1.00 0.00 H new ATOM 0 HA SER A1007 3.060 14.664 5.296 1.00 0.00 H new ATOM 0 HB2 SER A1007 3.791 16.975 4.996 1.00 0.00 H new ATOM 0 HB3 SER A1007 2.852 17.122 3.524 1.00 0.00 H new ATOM 0 HG SER A1007 1.770 18.046 5.350 1.00 0.00 H new ATOM 1346 N TRP A1008 1.070 13.602 4.435 1.00 0.00 N ATOM 1347 CA TRP A1008 -0.057 12.823 3.934 1.00 0.00 C ATOM 1348 C TRP A1008 -1.245 12.983 4.856 1.00 0.00 C ATOM 1349 O TRP A1008 -1.116 12.889 6.080 1.00 0.00 O ATOM 1350 CB TRP A1008 0.332 11.352 3.805 1.00 0.00 C ATOM 1351 CG TRP A1008 1.560 11.175 2.996 1.00 0.00 C ATOM 1352 CD1 TRP A1008 2.831 11.131 3.452 1.00 0.00 C ATOM 1353 CD2 TRP A1008 1.629 11.045 1.577 1.00 0.00 C ATOM 1354 NE1 TRP A1008 3.687 11.004 2.402 1.00 0.00 N ATOM 1355 CE2 TRP A1008 2.976 10.931 1.242 1.00 0.00 C ATOM 1356 CE3 TRP A1008 0.679 11.010 0.562 1.00 0.00 C ATOM 1357 CZ2 TRP A1008 3.405 10.786 -0.067 1.00 0.00 C ATOM 1358 CZ3 TRP A1008 1.101 10.864 -0.740 1.00 0.00 C ATOM 1359 CH2 TRP A1008 2.455 10.753 -1.046 1.00 0.00 C ATOM 0 H TRP A1008 1.359 13.351 5.380 1.00 0.00 H new ATOM 0 HA TRP A1008 -0.332 13.191 2.946 1.00 0.00 H new ATOM 0 HB2 TRP A1008 0.487 10.929 4.798 1.00 0.00 H new ATOM 0 HB3 TRP A1008 -0.488 10.798 3.347 1.00 0.00 H new ATOM 0 HD1 TRP A1008 3.123 11.188 4.490 1.00 0.00 H new ATOM 0 HE1 TRP A1008 4.704 10.969 2.472 1.00 0.00 H new ATOM 0 HE3 TRP A1008 -0.373 11.096 0.792 1.00 0.00 H new ATOM 0 HZ2 TRP A1008 4.455 10.702 -0.305 1.00 0.00 H new ATOM 0 HZ3 TRP A1008 0.371 10.835 -1.536 1.00 0.00 H new ATOM 0 HH2 TRP A1008 2.758 10.639 -2.076 1.00 0.00 H new ATOM 1370 N VAL A1009 -2.396 13.206 4.252 1.00 0.00 N ATOM 1371 CA VAL A1009 -3.642 13.475 4.943 1.00 0.00 C ATOM 1372 C VAL A1009 -4.774 13.095 4.012 1.00 0.00 C ATOM 1373 O VAL A1009 -4.528 12.731 2.854 1.00 0.00 O ATOM 1374 CB VAL A1009 -3.838 14.975 5.335 1.00 0.00 C ATOM 1375 CG1 VAL A1009 -2.902 15.422 6.447 1.00 0.00 C ATOM 1376 CG2 VAL A1009 -3.672 15.887 4.125 1.00 0.00 C ATOM 0 H VAL A1009 -2.493 13.205 3.237 1.00 0.00 H new ATOM 0 HA VAL A1009 -3.627 12.899 5.868 1.00 0.00 H new ATOM 0 HB VAL A1009 -4.858 15.056 5.711 1.00 0.00 H new ATOM 0 HG11 VAL A1009 -3.084 16.472 6.676 1.00 0.00 H new ATOM 0 HG12 VAL A1009 -3.081 14.820 7.338 1.00 0.00 H new ATOM 0 HG13 VAL A1009 -1.868 15.295 6.125 1.00 0.00 H new ATOM 0 HG21 VAL A1009 -3.814 16.924 4.429 1.00 0.00 H new ATOM 0 HG22 VAL A1009 -2.671 15.764 3.711 1.00 0.00 H new ATOM 0 HG23 VAL A1009 -4.412 15.626 3.368 1.00 0.00 H new ATOM 1386 N ALA A1010 -5.989 13.237 4.492 1.00 0.00 N ATOM 1387 CA ALA A1010 -7.161 12.997 3.681 1.00 0.00 C ATOM 1388 C ALA A1010 -7.594 14.339 3.120 1.00 0.00 C ATOM 1389 O ALA A1010 -8.106 15.178 3.862 1.00 0.00 O ATOM 1390 CB ALA A1010 -8.276 12.378 4.513 1.00 0.00 C ATOM 0 H ALA A1010 -6.192 13.521 5.451 1.00 0.00 H new ATOM 0 HA ALA A1010 -6.936 12.296 2.877 1.00 0.00 H new ATOM 0 HB1 ALA A1010 -9.148 12.206 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A1010 -7.936 11.429 4.929 1.00 0.00 H new ATOM 0 HB3 ALA A1010 -8.543 13.055 5.325 1.00 0.00 H new ATOM 1396 N ALA A1011 -7.325 14.566 1.846 1.00 0.00 N ATOM 1397 CA ALA A1011 -7.614 15.846 1.217 1.00 0.00 C ATOM 1398 C ALA A1011 -7.442 15.745 -0.290 1.00 0.00 C ATOM 1399 O ALA A1011 -6.970 14.719 -0.798 1.00 0.00 O ATOM 1400 CB ALA A1011 -6.681 16.924 1.765 1.00 0.00 C ATOM 0 H ALA A1011 -6.904 13.877 1.223 1.00 0.00 H new ATOM 0 HA ALA A1011 -8.646 16.115 1.441 1.00 0.00 H new ATOM 0 HB1 ALA A1011 -6.906 17.877 1.287 1.00 0.00 H new ATOM 0 HB2 ALA A1011 -6.823 17.015 2.842 1.00 0.00 H new ATOM 0 HB3 ALA A1011 -5.647 16.650 1.558 1.00 0.00 H new ATOM 1406 N GLU A1012 -7.752 16.835 -0.978 1.00 0.00 N ATOM 1407 CA GLU A1012 -7.586 16.963 -2.393 1.00 0.00 C ATOM 1408 C GLU A1012 -7.640 18.437 -2.756 1.00 0.00 C ATOM 1409 O GLU A1012 -8.687 19.079 -2.734 1.00 0.00 O ATOM 1410 CB GLU A1012 -8.598 16.158 -3.177 1.00 0.00 C ATOM 1411 CG GLU A1012 -8.231 16.087 -4.639 1.00 0.00 C ATOM 1412 CD GLU A1012 -6.775 15.732 -4.853 1.00 0.00 C ATOM 1413 OE1 GLU A1012 -6.373 14.585 -4.559 1.00 0.00 O ATOM 1414 OE2 GLU A1012 -5.998 16.618 -5.258 1.00 0.00 O ATOM 0 H GLU A1012 -8.137 17.672 -0.540 1.00 0.00 H new ATOM 0 HA GLU A1012 -6.615 16.551 -2.667 1.00 0.00 H new ATOM 0 HB2 GLU A1012 -8.660 15.150 -2.767 1.00 0.00 H new ATOM 0 HB3 GLU A1012 -9.585 16.608 -3.069 1.00 0.00 H new ATOM 0 HG2 GLU A1012 -8.859 15.345 -5.133 1.00 0.00 H new ATOM 0 HG3 GLU A1012 -8.441 17.047 -5.110 1.00 0.00 H new ATOM 1421 N LYS A1013 -6.468 18.955 -3.027 1.00 0.00 N ATOM 1422 CA LYS A1013 -6.232 20.354 -3.331 1.00 0.00 C ATOM 1423 C LYS A1013 -5.300 20.456 -4.510 1.00 0.00 C ATOM 1424 O LYS A1013 -4.517 19.550 -4.735 1.00 0.00 O ATOM 1425 CB LYS A1013 -5.582 21.036 -2.138 1.00 0.00 C ATOM 1426 CG LYS A1013 -6.550 21.452 -1.064 1.00 0.00 C ATOM 1427 CD LYS A1013 -5.831 21.727 0.237 1.00 0.00 C ATOM 1428 CE LYS A1013 -6.747 22.371 1.250 1.00 0.00 C ATOM 1429 NZ LYS A1013 -6.120 22.435 2.586 1.00 0.00 N ATOM 0 H LYS A1013 -5.615 18.396 -3.044 1.00 0.00 H new ATOM 0 HA LYS A1013 -7.183 20.836 -3.559 1.00 0.00 H new ATOM 0 HB2 LYS A1013 -4.844 20.361 -1.705 1.00 0.00 H new ATOM 0 HB3 LYS A1013 -5.042 21.917 -2.486 1.00 0.00 H new ATOM 0 HG2 LYS A1013 -7.089 22.345 -1.381 1.00 0.00 H new ATOM 0 HG3 LYS A1013 -7.292 20.668 -0.915 1.00 0.00 H new ATOM 0 HD2 LYS A1013 -5.438 20.794 0.641 1.00 0.00 H new ATOM 0 HD3 LYS A1013 -4.977 22.378 0.051 1.00 0.00 H new ATOM 0 HE2 LYS A1013 -7.005 23.377 0.920 1.00 0.00 H new ATOM 0 HE3 LYS A1013 -7.678 21.807 1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A1013 -6.777 22.883 3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A1013 -5.896 21.473 2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A1013 -5.245 22.995 2.532 1.00 0.00 H new ATOM 1443 N MET A1014 -5.352 21.583 -5.180 1.00 0.00 N ATOM 1444 CA MET A1014 -4.579 21.882 -6.392 1.00 0.00 C ATOM 1445 C MET A1014 -3.106 21.556 -6.288 1.00 0.00 C ATOM 1446 O MET A1014 -2.514 21.076 -7.250 1.00 0.00 O ATOM 1447 CB MET A1014 -4.702 23.349 -6.653 1.00 0.00 C ATOM 1448 CG MET A1014 -4.158 23.820 -7.994 1.00 0.00 C ATOM 1449 SD MET A1014 -4.282 25.610 -8.207 1.00 0.00 S ATOM 1450 CE MET A1014 -3.250 26.199 -6.866 1.00 0.00 C ATOM 0 H MET A1014 -5.954 22.356 -4.896 1.00 0.00 H new ATOM 0 HA MET A1014 -4.984 21.259 -7.190 1.00 0.00 H new ATOM 0 HB2 MET A1014 -5.754 23.625 -6.589 1.00 0.00 H new ATOM 0 HB3 MET A1014 -4.183 23.887 -5.860 1.00 0.00 H new ATOM 0 HG2 MET A1014 -3.114 23.519 -8.084 1.00 0.00 H new ATOM 0 HG3 MET A1014 -4.703 23.324 -8.797 1.00 0.00 H new ATOM 0 HE1 MET A1014 -2.941 27.224 -7.068 1.00 0.00 H new ATOM 0 HE2 MET A1014 -3.813 26.167 -5.933 1.00 0.00 H new ATOM 0 HE3 MET A1014 -2.368 25.564 -6.780 1.00 0.00 H new ATOM 1460 N TYR A1015 -2.505 21.870 -5.146 1.00 0.00 N ATOM 1461 CA TYR A1015 -1.081 21.628 -4.925 1.00 0.00 C ATOM 1462 C TYR A1015 -0.717 20.161 -5.064 1.00 0.00 C ATOM 1463 O TYR A1015 0.467 19.820 -5.119 1.00 0.00 O ATOM 1464 CB TYR A1015 -0.675 22.136 -3.551 1.00 0.00 C ATOM 1465 CG TYR A1015 -0.998 23.589 -3.336 1.00 0.00 C ATOM 1466 CD1 TYR A1015 -0.155 24.582 -3.809 1.00 0.00 C ATOM 1467 CD2 TYR A1015 -2.156 23.964 -2.674 1.00 0.00 C ATOM 1468 CE1 TYR A1015 -0.460 25.913 -3.627 1.00 0.00 C ATOM 1469 CE2 TYR A1015 -2.467 25.289 -2.486 1.00 0.00 C ATOM 1470 CZ TYR A1015 -1.617 26.261 -2.966 1.00 0.00 C ATOM 1471 OH TYR A1015 -1.930 27.589 -2.782 1.00 0.00 O ATOM 0 H TYR A1015 -2.984 22.296 -4.353 1.00 0.00 H new ATOM 0 HA TYR A1015 -0.536 22.172 -5.696 1.00 0.00 H new ATOM 0 HB2 TYR A1015 -1.178 21.542 -2.788 1.00 0.00 H new ATOM 0 HB3 TYR A1015 0.396 21.985 -3.417 1.00 0.00 H new ATOM 0 HD1 TYR A1015 0.753 24.309 -4.327 1.00 0.00 H new ATOM 0 HD2 TYR A1015 -2.825 23.203 -2.300 1.00 0.00 H new ATOM 0 HE1 TYR A1015 0.204 26.679 -4.000 1.00 0.00 H new ATOM 0 HE2 TYR A1015 -3.372 25.567 -1.965 1.00 0.00 H new ATOM 0 HH TYR A1015 -2.780 27.661 -2.299 1.00 0.00 H new ATOM 1481 N HIS A1016 -1.731 19.300 -5.024 1.00 0.00 N ATOM 1482 CA HIS A1016 -1.551 17.883 -5.301 1.00 0.00 C ATOM 1483 C HIS A1016 -0.870 17.665 -6.632 1.00 0.00 C ATOM 1484 O HIS A1016 -1.492 17.744 -7.687 1.00 0.00 O ATOM 1485 CB HIS A1016 -2.885 17.181 -5.328 1.00 0.00 C ATOM 1486 CG HIS A1016 -3.337 16.583 -4.055 1.00 0.00 C ATOM 1487 ND1 HIS A1016 -3.946 17.291 -3.062 1.00 0.00 N ATOM 1488 CD2 HIS A1016 -3.394 15.300 -3.695 1.00 0.00 C ATOM 1489 CE1 HIS A1016 -4.380 16.452 -2.143 1.00 0.00 C ATOM 1490 NE2 HIS A1016 -4.063 15.224 -2.499 1.00 0.00 N ATOM 0 H HIS A1016 -2.690 19.564 -4.801 1.00 0.00 H new ATOM 0 HA HIS A1016 -0.926 17.475 -4.507 1.00 0.00 H new ATOM 0 HB2 HIS A1016 -3.640 17.894 -5.658 1.00 0.00 H new ATOM 0 HB3 HIS A1016 -2.841 16.393 -6.080 1.00 0.00 H new ATOM 0 HD2 HIS A1016 -2.985 14.467 -4.248 1.00 0.00 H new ATOM 0 HE1 HIS A1016 -4.910 16.727 -1.243 1.00 0.00 H new ATOM 0 HE2 HIS A1016 -4.276 14.372 -1.980 1.00 0.00 H new ATOM 1499 N THR A1017 0.405 17.412 -6.556 1.00 0.00 N ATOM 1500 CA THR A1017 1.218 17.153 -7.712 1.00 0.00 C ATOM 1501 C THR A1017 1.340 15.648 -7.878 1.00 0.00 C ATOM 1502 O THR A1017 1.579 15.119 -8.948 1.00 0.00 O ATOM 1503 CB THR A1017 2.591 17.793 -7.473 1.00 0.00 C ATOM 1504 OG1 THR A1017 2.625 18.277 -6.115 1.00 0.00 O ATOM 1505 CG2 THR A1017 2.835 18.948 -8.431 1.00 0.00 C ATOM 0 H THR A1017 0.918 17.379 -5.675 1.00 0.00 H new ATOM 0 HA THR A1017 0.781 17.572 -8.619 1.00 0.00 H new ATOM 0 HB THR A1017 3.370 17.050 -7.644 1.00 0.00 H new ATOM 0 HG1 THR A1017 1.887 18.906 -5.973 1.00 0.00 H new ATOM 0 HG21 THR A1017 3.816 19.381 -8.237 1.00 0.00 H new ATOM 0 HG22 THR A1017 2.796 18.584 -9.458 1.00 0.00 H new ATOM 0 HG23 THR A1017 2.068 19.709 -8.287 1.00 0.00 H new ATOM 1513 N HIS A1018 1.131 14.984 -6.771 1.00 0.00 N ATOM 1514 CA HIS A1018 1.225 13.531 -6.644 1.00 0.00 C ATOM 1515 C HIS A1018 0.098 13.061 -5.762 1.00 0.00 C ATOM 1516 O HIS A1018 -0.490 13.840 -5.004 1.00 0.00 O ATOM 1517 CB HIS A1018 2.550 13.049 -6.000 1.00 0.00 C ATOM 1518 CG HIS A1018 3.782 13.088 -6.860 1.00 0.00 C ATOM 1519 ND1 HIS A1018 4.840 12.215 -6.699 1.00 0.00 N ATOM 1520 CD2 HIS A1018 4.143 13.921 -7.854 1.00 0.00 C ATOM 1521 CE1 HIS A1018 5.796 12.521 -7.553 1.00 0.00 C ATOM 1522 NE2 HIS A1018 5.395 13.551 -8.264 1.00 0.00 N ATOM 0 H HIS A1018 0.881 15.445 -5.896 1.00 0.00 H new ATOM 0 HA HIS A1018 1.178 13.121 -7.653 1.00 0.00 H new ATOM 0 HB2 HIS A1018 2.736 13.656 -5.114 1.00 0.00 H new ATOM 0 HB3 HIS A1018 2.407 12.023 -5.659 1.00 0.00 H new ATOM 0 HD2 HIS A1018 3.553 14.732 -8.254 1.00 0.00 H new ATOM 0 HE1 HIS A1018 6.744 12.013 -7.651 1.00 0.00 H new ATOM 0 HE2 HIS A1018 5.932 14.003 -9.004 1.00 0.00 H new ATOM 1531 N ARG A1019 -0.246 11.820 -5.889 1.00 0.00 N ATOM 1532 CA ARG A1019 -1.252 11.246 -5.037 1.00 0.00 C ATOM 1533 C ARG A1019 -1.072 9.767 -5.012 1.00 0.00 C ATOM 1534 O ARG A1019 -0.633 9.188 -6.006 1.00 0.00 O ATOM 1535 CB ARG A1019 -2.645 11.588 -5.540 1.00 0.00 C ATOM 1536 CG ARG A1019 -3.743 11.085 -4.645 1.00 0.00 C ATOM 1537 CD ARG A1019 -5.040 11.737 -5.003 1.00 0.00 C ATOM 1538 NE ARG A1019 -5.663 11.237 -6.228 1.00 0.00 N ATOM 1539 CZ ARG A1019 -6.883 11.610 -6.636 1.00 0.00 C ATOM 1540 NH1 ARG A1019 -7.493 12.649 -6.068 1.00 0.00 N ATOM 1541 NH2 ARG A1019 -7.461 10.998 -7.660 1.00 0.00 N ATOM 0 H ARG A1019 0.152 11.178 -6.574 1.00 0.00 H new ATOM 0 HA ARG A1019 -1.146 11.654 -4.032 1.00 0.00 H new ATOM 0 HB2 ARG A1019 -2.733 12.670 -5.637 1.00 0.00 H new ATOM 0 HB3 ARG A1019 -2.777 11.167 -6.537 1.00 0.00 H new ATOM 0 HG2 ARG A1019 -3.833 10.003 -4.740 1.00 0.00 H new ATOM 0 HG3 ARG A1019 -3.498 11.294 -3.604 1.00 0.00 H new ATOM 0 HD2 ARG A1019 -5.738 11.602 -4.177 1.00 0.00 H new ATOM 0 HD3 ARG A1019 -4.874 12.809 -5.109 1.00 0.00 H new ATOM 0 HE ARG A1019 -5.143 10.571 -6.800 1.00 0.00 H new ATOM 0 HH11 ARG A1019 -7.031 13.164 -5.319 1.00 0.00 H new ATOM 0 HH12 ARG A1019 -8.422 12.929 -6.382 1.00 0.00 H new ATOM 0 HH21 ARG A1019 -6.977 10.240 -8.141 1.00 0.00 H new ATOM 0 HH22 ARG A1019 -8.390 11.285 -7.967 1.00 0.00 H new ATOM 1555 N ARG A1020 -1.404 9.160 -3.902 1.00 0.00 N ATOM 1556 CA ARG A1020 -1.293 7.731 -3.814 1.00 0.00 C ATOM 1557 C ARG A1020 -2.285 7.212 -2.836 1.00 0.00 C ATOM 1558 O ARG A1020 -2.912 7.970 -2.134 1.00 0.00 O ATOM 1559 CB ARG A1020 0.121 7.254 -3.448 1.00 0.00 C ATOM 1560 CG ARG A1020 0.596 7.734 -2.089 1.00 0.00 C ATOM 1561 CD ARG A1020 1.973 7.196 -1.723 1.00 0.00 C ATOM 1562 NE ARG A1020 3.039 7.665 -2.612 1.00 0.00 N ATOM 1563 CZ ARG A1020 4.267 8.002 -2.203 1.00 0.00 C ATOM 1564 NH1 ARG A1020 4.588 7.936 -0.907 1.00 0.00 N ATOM 1565 NH2 ARG A1020 5.162 8.442 -3.084 1.00 0.00 N ATOM 0 H ARG A1020 -1.747 9.624 -3.061 1.00 0.00 H new ATOM 0 HA ARG A1020 -1.502 7.332 -4.807 1.00 0.00 H new ATOM 0 HB2 ARG A1020 0.143 6.164 -3.466 1.00 0.00 H new ATOM 0 HB3 ARG A1020 0.820 7.600 -4.210 1.00 0.00 H new ATOM 0 HG2 ARG A1020 0.623 8.824 -2.082 1.00 0.00 H new ATOM 0 HG3 ARG A1020 -0.123 7.428 -1.329 1.00 0.00 H new ATOM 0 HD2 ARG A1020 2.209 7.489 -0.700 1.00 0.00 H new ATOM 0 HD3 ARG A1020 1.946 6.107 -1.744 1.00 0.00 H new ATOM 0 HE ARG A1020 2.831 7.739 -3.608 1.00 0.00 H new ATOM 0 HH11 ARG A1020 3.895 7.628 -0.225 1.00 0.00 H new ATOM 0 HH12 ARG A1020 5.526 8.194 -0.600 1.00 0.00 H new ATOM 0 HH21 ARG A1020 4.911 8.522 -4.069 1.00 0.00 H new ATOM 0 HH22 ARG A1020 6.099 8.699 -2.774 1.00 0.00 H new ATOM 1579 N ARG A1021 -2.469 5.934 -2.875 1.00 0.00 N ATOM 1580 CA ARG A1021 -3.376 5.263 -1.978 1.00 0.00 C ATOM 1581 C ARG A1021 -2.813 3.906 -1.646 1.00 0.00 C ATOM 1582 O ARG A1021 -2.115 3.321 -2.469 1.00 0.00 O ATOM 1583 CB ARG A1021 -4.746 5.129 -2.621 1.00 0.00 C ATOM 1584 CG ARG A1021 -4.702 4.508 -3.998 1.00 0.00 C ATOM 1585 CD ARG A1021 -6.079 4.309 -4.556 1.00 0.00 C ATOM 1586 NE ARG A1021 -5.994 3.792 -5.909 1.00 0.00 N ATOM 1587 CZ ARG A1021 -7.056 3.376 -6.617 1.00 0.00 C ATOM 1588 NH1 ARG A1021 -8.286 3.672 -6.191 1.00 0.00 N ATOM 1589 NH2 ARG A1021 -6.892 2.711 -7.756 1.00 0.00 N ATOM 0 H ARG A1021 -1.995 5.314 -3.532 1.00 0.00 H new ATOM 0 HA ARG A1021 -3.488 5.844 -1.063 1.00 0.00 H new ATOM 0 HB2 ARG A1021 -5.384 4.524 -1.977 1.00 0.00 H new ATOM 0 HB3 ARG A1021 -5.206 6.115 -2.689 1.00 0.00 H new ATOM 0 HG2 ARG A1021 -4.126 5.146 -4.668 1.00 0.00 H new ATOM 0 HG3 ARG A1021 -4.186 3.549 -3.949 1.00 0.00 H new ATOM 0 HD2 ARG A1021 -6.639 3.617 -3.927 1.00 0.00 H new ATOM 0 HD3 ARG A1021 -6.622 5.254 -4.552 1.00 0.00 H new ATOM 0 HE ARG A1021 -5.074 3.742 -6.347 1.00 0.00 H new ATOM 0 HH11 ARG A1021 -8.413 4.210 -5.334 1.00 0.00 H new ATOM 0 HH12 ARG A1021 -9.099 3.360 -6.723 1.00 0.00 H new ATOM 0 HH21 ARG A1021 -5.952 2.512 -8.100 1.00 0.00 H new ATOM 0 HH22 ARG A1021 -7.706 2.399 -8.286 1.00 0.00 H new ATOM 1603 N ARG A1022 -3.107 3.407 -0.469 1.00 0.00 N ATOM 1604 CA ARG A1022 -2.608 2.122 -0.064 1.00 0.00 C ATOM 1605 C ARG A1022 -3.535 1.019 -0.521 1.00 0.00 C ATOM 1606 O ARG A1022 -4.713 1.012 -0.176 1.00 0.00 O ATOM 1607 CB ARG A1022 -2.450 2.045 1.447 1.00 0.00 C ATOM 1608 CG ARG A1022 -2.127 0.644 1.931 1.00 0.00 C ATOM 1609 CD ARG A1022 -1.972 0.601 3.428 1.00 0.00 C ATOM 1610 NE ARG A1022 -0.841 1.395 3.842 1.00 0.00 N ATOM 1611 CZ ARG A1022 -0.618 1.789 5.097 1.00 0.00 C ATOM 1612 NH1 ARG A1022 -1.344 1.286 6.080 1.00 0.00 N ATOM 1613 NH2 ARG A1022 0.359 2.637 5.383 1.00 0.00 N ATOM 0 H ARG A1022 -3.691 3.875 0.224 1.00 0.00 H new ATOM 0 HA ARG A1022 -1.631 1.992 -0.530 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -1.658 2.725 1.761 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -3.370 2.386 1.922 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -2.920 -0.039 1.626 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -1.208 0.297 1.459 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -2.879 0.973 3.904 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -1.840 -0.430 3.756 1.00 0.00 H new ATOM 0 HE ARG A1022 -0.168 1.673 3.128 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -2.071 0.600 5.878 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -1.177 1.584 7.041 1.00 0.00 H new ATOM 0 HH21 ARG A1022 0.954 2.999 4.638 1.00 0.00 H new ATOM 0 HH22 ARG A1022 0.516 2.928 6.348 1.00 0.00 H new ATOM 1627 N LEU A1023 -3.005 0.117 -1.309 1.00 0.00 N ATOM 1628 CA LEU A1023 -3.709 -1.089 -1.645 1.00 0.00 C ATOM 1629 C LEU A1023 -3.179 -2.149 -0.704 1.00 0.00 C ATOM 1630 O LEU A1023 -1.968 -2.346 -0.598 1.00 0.00 O ATOM 1631 CB LEU A1023 -3.485 -1.496 -3.102 1.00 0.00 C ATOM 1632 CG LEU A1023 -3.890 -0.458 -4.157 1.00 0.00 C ATOM 1633 CD1 LEU A1023 -3.574 -0.971 -5.551 1.00 0.00 C ATOM 1634 CD2 LEU A1023 -5.372 -0.121 -4.047 1.00 0.00 C ATOM 0 H LEU A1023 -2.080 0.199 -1.731 1.00 0.00 H new ATOM 0 HA LEU A1023 -4.785 -0.951 -1.539 1.00 0.00 H new ATOM 0 HB2 LEU A1023 -2.429 -1.729 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A1023 -4.040 -2.415 -3.292 1.00 0.00 H new ATOM 0 HG LEU A1023 -3.316 0.451 -3.976 1.00 0.00 H new ATOM 0 HD11 LEU A1023 -3.867 -0.224 -6.289 1.00 0.00 H new ATOM 0 HD12 LEU A1023 -2.504 -1.163 -5.634 1.00 0.00 H new ATOM 0 HD13 LEU A1023 -4.124 -1.895 -5.732 1.00 0.00 H new ATOM 0 HD21 LEU A1023 -5.635 0.617 -4.805 1.00 0.00 H new ATOM 0 HD22 LEU A1023 -5.963 -1.024 -4.199 1.00 0.00 H new ATOM 0 HD23 LEU A1023 -5.580 0.286 -3.057 1.00 0.00 H new ATOM 1646 N VAL A1024 -4.070 -2.770 0.013 1.00 0.00 N ATOM 1647 CA VAL A1024 -3.701 -3.738 1.026 1.00 0.00 C ATOM 1648 C VAL A1024 -4.062 -5.128 0.613 1.00 0.00 C ATOM 1649 O VAL A1024 -5.098 -5.373 -0.015 1.00 0.00 O ATOM 1650 CB VAL A1024 -4.333 -3.493 2.422 1.00 0.00 C ATOM 1651 CG1 VAL A1024 -3.762 -2.264 3.077 1.00 0.00 C ATOM 1652 CG2 VAL A1024 -5.855 -3.399 2.360 1.00 0.00 C ATOM 0 H VAL A1024 -5.075 -2.625 -0.082 1.00 0.00 H new ATOM 0 HA VAL A1024 -2.622 -3.614 1.117 1.00 0.00 H new ATOM 0 HB VAL A1024 -4.079 -4.361 3.031 1.00 0.00 H new ATOM 0 HG11 VAL A1024 -4.227 -2.122 4.053 1.00 0.00 H new ATOM 0 HG12 VAL A1024 -2.686 -2.385 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A1024 -3.959 -1.393 2.451 1.00 0.00 H new ATOM 0 HG21 VAL A1024 -6.250 -3.227 3.361 1.00 0.00 H new ATOM 0 HG22 VAL A1024 -6.142 -2.573 1.710 1.00 0.00 H new ATOM 0 HG23 VAL A1024 -6.261 -4.330 1.964 1.00 0.00 H new ATOM 1662 N ARG A1025 -3.188 -6.015 0.958 1.00 0.00 N ATOM 1663 CA ARG A1025 -3.432 -7.425 0.768 1.00 0.00 C ATOM 1664 C ARG A1025 -3.031 -8.142 2.037 1.00 0.00 C ATOM 1665 O ARG A1025 -1.845 -8.272 2.318 1.00 0.00 O ATOM 1666 CB ARG A1025 -2.622 -7.973 -0.391 1.00 0.00 C ATOM 1667 CG ARG A1025 -3.111 -9.313 -0.893 1.00 0.00 C ATOM 1668 CD ARG A1025 -4.393 -9.167 -1.672 1.00 0.00 C ATOM 1669 NE ARG A1025 -4.871 -10.453 -2.183 1.00 0.00 N ATOM 1670 CZ ARG A1025 -4.591 -10.959 -3.386 1.00 0.00 C ATOM 1671 NH1 ARG A1025 -3.767 -10.327 -4.206 1.00 0.00 N ATOM 1672 NH2 ARG A1025 -5.142 -12.107 -3.755 1.00 0.00 N ATOM 0 H ARG A1025 -2.285 -5.794 1.379 1.00 0.00 H new ATOM 0 HA ARG A1025 -4.487 -7.579 0.543 1.00 0.00 H new ATOM 0 HB2 ARG A1025 -2.647 -7.256 -1.212 1.00 0.00 H new ATOM 0 HB3 ARG A1025 -1.581 -8.068 -0.083 1.00 0.00 H new ATOM 0 HG2 ARG A1025 -2.348 -9.768 -1.525 1.00 0.00 H new ATOM 0 HG3 ARG A1025 -3.269 -9.985 -0.049 1.00 0.00 H new ATOM 0 HD2 ARG A1025 -5.157 -8.723 -1.034 1.00 0.00 H new ATOM 0 HD3 ARG A1025 -4.236 -8.481 -2.505 1.00 0.00 H new ATOM 0 HE ARG A1025 -5.467 -11.008 -1.569 1.00 0.00 H new ATOM 0 HH11 ARG A1025 -3.340 -9.446 -3.921 1.00 0.00 H new ATOM 0 HH12 ARG A1025 -3.559 -10.721 -5.123 1.00 0.00 H new ATOM 0 HH21 ARG A1025 -5.774 -12.596 -3.121 1.00 0.00 H new ATOM 0 HH22 ARG A1025 -4.934 -12.501 -4.672 1.00 0.00 H new ATOM 1686 N LYS A1026 -3.992 -8.563 2.827 1.00 0.00 N ATOM 1687 CA LYS A1026 -3.655 -9.221 4.067 1.00 0.00 C ATOM 1688 C LYS A1026 -3.184 -10.634 3.717 1.00 0.00 C ATOM 1689 O LYS A1026 -3.653 -11.251 2.747 1.00 0.00 O ATOM 1690 CB LYS A1026 -4.847 -9.148 5.059 1.00 0.00 C ATOM 1691 CG LYS A1026 -4.537 -9.455 6.524 1.00 0.00 C ATOM 1692 CD LYS A1026 -4.281 -10.925 6.800 1.00 0.00 C ATOM 1693 CE LYS A1026 -5.545 -11.745 7.084 1.00 0.00 C ATOM 1694 NZ LYS A1026 -6.593 -11.694 6.030 1.00 0.00 N ATOM 0 H LYS A1026 -4.990 -8.465 2.640 1.00 0.00 H new ATOM 0 HA LYS A1026 -2.840 -8.726 4.595 1.00 0.00 H new ATOM 0 HB2 LYS A1026 -5.276 -8.147 5.004 1.00 0.00 H new ATOM 0 HB3 LYS A1026 -5.615 -9.843 4.720 1.00 0.00 H new ATOM 0 HG2 LYS A1026 -3.663 -8.880 6.829 1.00 0.00 H new ATOM 0 HG3 LYS A1026 -5.371 -9.119 7.140 1.00 0.00 H new ATOM 0 HD2 LYS A1026 -3.766 -11.359 5.943 1.00 0.00 H new ATOM 0 HD3 LYS A1026 -3.608 -11.010 7.653 1.00 0.00 H new ATOM 0 HE2 LYS A1026 -5.256 -12.785 7.234 1.00 0.00 H new ATOM 0 HE3 LYS A1026 -5.980 -11.397 8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A1026 -7.200 -12.535 6.103 1.00 0.00 H new ATOM 0 HZ2 LYS A1026 -7.171 -10.838 6.156 1.00 0.00 H new ATOM 0 HZ3 LYS A1026 -6.142 -11.673 5.093 1.00 0.00 H new ATOM 1708 N ARG A1027 -2.251 -11.139 4.488 1.00 0.00 N ATOM 1709 CA ARG A1027 -1.572 -12.371 4.169 1.00 0.00 C ATOM 1710 C ARG A1027 -1.267 -13.004 5.491 1.00 0.00 C ATOM 1711 O ARG A1027 -1.486 -12.378 6.519 1.00 0.00 O ATOM 1712 CB ARG A1027 -0.280 -12.090 3.371 1.00 0.00 C ATOM 1713 CG ARG A1027 0.828 -11.411 4.164 1.00 0.00 C ATOM 1714 CD ARG A1027 1.898 -10.801 3.276 1.00 0.00 C ATOM 1715 NE ARG A1027 2.537 -11.766 2.401 1.00 0.00 N ATOM 1716 CZ ARG A1027 3.368 -11.420 1.409 1.00 0.00 C ATOM 1717 NH1 ARG A1027 3.743 -10.159 1.239 1.00 0.00 N ATOM 1718 NH2 ARG A1027 3.833 -12.333 0.581 1.00 0.00 N ATOM 0 H ARG A1027 -1.941 -10.705 5.357 1.00 0.00 H new ATOM 0 HA ARG A1027 -2.179 -13.025 3.543 1.00 0.00 H new ATOM 0 HB2 ARG A1027 0.100 -13.033 2.978 1.00 0.00 H new ATOM 0 HB3 ARG A1027 -0.529 -11.465 2.513 1.00 0.00 H new ATOM 0 HG2 ARG A1027 0.395 -10.632 4.791 1.00 0.00 H new ATOM 0 HG3 ARG A1027 1.288 -12.138 4.833 1.00 0.00 H new ATOM 0 HD2 ARG A1027 1.452 -10.012 2.671 1.00 0.00 H new ATOM 0 HD3 ARG A1027 2.656 -10.331 3.903 1.00 0.00 H new ATOM 0 HE ARG A1027 2.344 -12.757 2.549 1.00 0.00 H new ATOM 0 HH11 ARG A1027 3.398 -9.435 1.869 1.00 0.00 H new ATOM 0 HH12 ARG A1027 4.377 -9.913 0.478 1.00 0.00 H new ATOM 0 HH21 ARG A1027 3.561 -13.309 0.693 1.00 0.00 H new ATOM 0 HH22 ARG A1027 4.465 -12.063 -0.172 1.00 0.00 H new ATOM 1732 N LYS A1028 -0.806 -14.212 5.484 1.00 0.00 N ATOM 1733 CA LYS A1028 -0.461 -14.888 6.700 1.00 0.00 C ATOM 1734 C LYS A1028 0.488 -15.985 6.370 1.00 0.00 C ATOM 1735 O LYS A1028 0.434 -16.524 5.302 1.00 0.00 O ATOM 1736 CB LYS A1028 -1.692 -15.440 7.404 1.00 0.00 C ATOM 1737 CG LYS A1028 -2.559 -16.315 6.531 1.00 0.00 C ATOM 1738 CD LYS A1028 -3.793 -16.752 7.277 1.00 0.00 C ATOM 1739 CE LYS A1028 -4.527 -15.548 7.850 1.00 0.00 C ATOM 1740 NZ LYS A1028 -5.892 -15.863 8.346 1.00 0.00 N ATOM 0 H LYS A1028 -0.657 -14.761 4.638 1.00 0.00 H new ATOM 0 HA LYS A1028 0.003 -14.179 7.385 1.00 0.00 H new ATOM 0 HB2 LYS A1028 -1.373 -16.015 8.274 1.00 0.00 H new ATOM 0 HB3 LYS A1028 -2.290 -14.607 7.774 1.00 0.00 H new ATOM 0 HG2 LYS A1028 -2.845 -15.770 5.631 1.00 0.00 H new ATOM 0 HG3 LYS A1028 -1.994 -17.189 6.208 1.00 0.00 H new ATOM 0 HD2 LYS A1028 -4.454 -17.302 6.607 1.00 0.00 H new ATOM 0 HD3 LYS A1028 -3.516 -17.433 8.082 1.00 0.00 H new ATOM 0 HE2 LYS A1028 -3.940 -15.131 8.668 1.00 0.00 H new ATOM 0 HE3 LYS A1028 -4.597 -14.777 7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A1028 -6.401 -14.979 8.547 1.00 0.00 H new ATOM 0 HZ2 LYS A1028 -6.408 -16.402 7.622 1.00 0.00 H new ATOM 0 HZ3 LYS A1028 -5.823 -16.429 9.216 1.00 0.00 H new ATOM 1754 N LYS A1029 1.316 -16.336 7.307 1.00 0.00 N ATOM 1755 CA LYS A1029 2.337 -17.335 7.095 1.00 0.00 C ATOM 1756 C LYS A1029 1.708 -18.685 7.313 1.00 0.00 C ATOM 1757 O LYS A1029 2.316 -19.736 7.145 1.00 0.00 O ATOM 1758 CB LYS A1029 3.449 -17.136 8.101 1.00 0.00 C ATOM 1759 CG LYS A1029 4.690 -17.917 7.780 1.00 0.00 C ATOM 1760 CD LYS A1029 5.714 -17.761 8.875 1.00 0.00 C ATOM 1761 CE LYS A1029 6.049 -16.306 9.088 1.00 0.00 C ATOM 1762 NZ LYS A1029 7.099 -16.135 10.121 1.00 0.00 N ATOM 0 H LYS A1029 1.308 -15.940 8.247 1.00 0.00 H new ATOM 0 HA LYS A1029 2.747 -17.258 6.088 1.00 0.00 H new ATOM 0 HB2 LYS A1029 3.698 -16.076 8.151 1.00 0.00 H new ATOM 0 HB3 LYS A1029 3.091 -17.426 9.089 1.00 0.00 H new ATOM 0 HG2 LYS A1029 4.441 -18.971 7.655 1.00 0.00 H new ATOM 0 HG3 LYS A1029 5.107 -17.574 6.833 1.00 0.00 H new ATOM 0 HD2 LYS A1029 5.332 -18.191 9.801 1.00 0.00 H new ATOM 0 HD3 LYS A1029 6.617 -18.313 8.616 1.00 0.00 H new ATOM 0 HE2 LYS A1029 6.387 -15.868 8.149 1.00 0.00 H new ATOM 0 HE3 LYS A1029 5.151 -15.765 9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A1029 7.305 -15.123 10.242 1.00 0.00 H new ATOM 0 HZ2 LYS A1029 6.766 -16.531 11.023 1.00 0.00 H new ATOM 0 HZ3 LYS A1029 7.963 -16.631 9.823 1.00 0.00 H new ATOM 1776 N ASP A1030 0.509 -18.590 7.844 1.00 0.00 N ATOM 1777 CA ASP A1030 -0.390 -19.704 8.152 1.00 0.00 C ATOM 1778 C ASP A1030 0.075 -20.521 9.350 1.00 0.00 C ATOM 1779 O ASP A1030 -0.713 -21.195 10.015 1.00 0.00 O ATOM 1780 CB ASP A1030 -0.638 -20.570 6.922 1.00 0.00 C ATOM 1781 CG ASP A1030 -1.648 -21.648 7.183 1.00 0.00 C ATOM 1782 OD1 ASP A1030 -2.849 -21.333 7.292 1.00 0.00 O ATOM 1783 OD2 ASP A1030 -1.256 -22.813 7.319 1.00 0.00 O ATOM 0 H ASP A1030 0.103 -17.687 8.090 1.00 0.00 H new ATOM 0 HA ASP A1030 -1.346 -19.270 8.443 1.00 0.00 H new ATOM 0 HB2 ASP A1030 -0.983 -19.942 6.101 1.00 0.00 H new ATOM 0 HB3 ASP A1030 0.301 -21.023 6.603 1.00 0.00 H new ATOM 1788 N LEU A1031 1.347 -20.366 9.607 1.00 0.00 N ATOM 1789 CA LEU A1031 2.113 -20.942 10.706 1.00 0.00 C ATOM 1790 C LEU A1031 2.471 -22.411 10.455 1.00 0.00 C ATOM 1791 O LEU A1031 3.357 -22.964 11.112 1.00 0.00 O ATOM 1792 CB LEU A1031 1.395 -20.757 12.048 1.00 0.00 C ATOM 1793 CG LEU A1031 2.246 -21.016 13.286 1.00 0.00 C ATOM 1794 CD1 LEU A1031 3.332 -19.958 13.421 1.00 0.00 C ATOM 1795 CD2 LEU A1031 1.380 -21.072 14.533 1.00 0.00 C ATOM 0 H LEU A1031 1.933 -19.785 9.007 1.00 0.00 H new ATOM 0 HA LEU A1031 3.054 -20.394 10.758 1.00 0.00 H new ATOM 0 HB2 LEU A1031 1.012 -19.738 12.098 1.00 0.00 H new ATOM 0 HB3 LEU A1031 0.533 -21.424 12.074 1.00 0.00 H new ATOM 0 HG LEU A1031 2.731 -21.985 13.172 1.00 0.00 H new ATOM 0 HD11 LEU A1031 3.929 -20.160 14.311 1.00 0.00 H new ATOM 0 HD12 LEU A1031 3.974 -19.981 12.540 1.00 0.00 H new ATOM 0 HD13 LEU A1031 2.872 -18.974 13.509 1.00 0.00 H new ATOM 0 HD21 LEU A1031 2.008 -21.258 15.404 1.00 0.00 H new ATOM 0 HD22 LEU A1031 0.859 -20.123 14.657 1.00 0.00 H new ATOM 0 HD23 LEU A1031 0.651 -21.876 14.434 1.00 0.00 H new ATOM 1807 N THR A1032 1.850 -23.026 9.463 1.00 0.00 N ATOM 1808 CA THR A1032 2.124 -24.417 9.169 1.00 0.00 C ATOM 1809 C THR A1032 2.279 -24.579 7.667 1.00 0.00 C ATOM 1810 O THR A1032 2.380 -25.686 7.133 1.00 0.00 O ATOM 1811 CB THR A1032 1.038 -25.367 9.755 1.00 0.00 C ATOM 1812 OG1 THR A1032 1.314 -26.733 9.410 1.00 0.00 O ATOM 1813 CG2 THR A1032 -0.357 -25.004 9.280 1.00 0.00 C ATOM 0 H THR A1032 1.159 -22.587 8.854 1.00 0.00 H new ATOM 0 HA THR A1032 3.055 -24.707 9.655 1.00 0.00 H new ATOM 0 HB THR A1032 1.072 -25.248 10.838 1.00 0.00 H new ATOM 0 HG1 THR A1032 1.636 -26.778 8.486 1.00 0.00 H new ATOM 0 HG21 THR A1032 -1.080 -25.694 9.715 1.00 0.00 H new ATOM 0 HG22 THR A1032 -0.594 -23.986 9.591 1.00 0.00 H new ATOM 0 HG23 THR A1032 -0.400 -25.071 8.193 1.00 0.00 H new ATOM 1821 N GLN A1033 2.335 -23.438 6.999 1.00 0.00 N ATOM 1822 CA GLN A1033 2.593 -23.377 5.586 1.00 0.00 C ATOM 1823 C GLN A1033 4.039 -23.793 5.379 1.00 0.00 C ATOM 1824 O GLN A1033 4.340 -24.816 4.755 1.00 0.00 O ATOM 1825 CB GLN A1033 2.408 -21.944 5.123 1.00 0.00 C ATOM 1826 CG GLN A1033 2.815 -21.712 3.701 1.00 0.00 C ATOM 1827 CD GLN A1033 1.788 -22.163 2.698 1.00 0.00 C ATOM 1828 OE1 GLN A1033 1.758 -23.315 2.272 1.00 0.00 O ATOM 1829 NE2 GLN A1033 0.971 -21.232 2.287 1.00 0.00 N ATOM 0 H GLN A1033 2.200 -22.525 7.434 1.00 0.00 H new ATOM 0 HA GLN A1033 1.920 -24.027 5.026 1.00 0.00 H new ATOM 0 HB2 GLN A1033 1.361 -21.666 5.242 1.00 0.00 H new ATOM 0 HB3 GLN A1033 2.988 -21.285 5.769 1.00 0.00 H new ATOM 0 HG2 GLN A1033 3.009 -20.649 3.556 1.00 0.00 H new ATOM 0 HG3 GLN A1033 3.751 -22.236 3.510 1.00 0.00 H new ATOM 0 HE21 GLN A1033 1.036 -20.290 2.672 1.00 0.00 H new ATOM 0 HE22 GLN A1033 0.267 -21.447 1.581 1.00 0.00 H new ATOM 1838 N THR A1034 4.922 -23.001 5.963 1.00 0.00 N ATOM 1839 CA THR A1034 6.329 -23.282 5.951 1.00 0.00 C ATOM 1840 C THR A1034 6.631 -24.238 7.103 1.00 0.00 C ATOM 1841 O THR A1034 7.064 -23.859 8.188 1.00 0.00 O ATOM 1842 CB THR A1034 7.173 -21.965 5.994 1.00 0.00 C ATOM 1843 OG1 THR A1034 8.580 -22.229 6.031 1.00 0.00 O ATOM 1844 CG2 THR A1034 6.784 -21.065 7.167 1.00 0.00 C ATOM 0 H THR A1034 4.672 -22.145 6.458 1.00 0.00 H new ATOM 0 HA THR A1034 6.616 -23.768 5.018 1.00 0.00 H new ATOM 0 HB THR A1034 6.945 -21.436 5.068 1.00 0.00 H new ATOM 0 HG1 THR A1034 9.071 -21.381 6.056 1.00 0.00 H new ATOM 0 HG21 THR A1034 7.398 -20.164 7.154 1.00 0.00 H new ATOM 0 HG22 THR A1034 5.733 -20.789 7.081 1.00 0.00 H new ATOM 0 HG23 THR A1034 6.944 -21.599 8.104 1.00 0.00 H new ATOM 1852 N ALA A1035 6.267 -25.487 6.881 1.00 0.00 N ATOM 1853 CA ALA A1035 6.454 -26.524 7.871 1.00 0.00 C ATOM 1854 C ALA A1035 7.868 -27.052 7.795 1.00 0.00 C ATOM 1855 O ALA A1035 8.367 -27.673 8.730 1.00 0.00 O ATOM 1856 CB ALA A1035 5.443 -27.638 7.671 1.00 0.00 C ATOM 0 H ALA A1035 5.836 -25.807 6.014 1.00 0.00 H new ATOM 0 HA ALA A1035 6.293 -26.104 8.864 1.00 0.00 H new ATOM 0 HB1 ALA A1035 5.598 -28.410 8.425 1.00 0.00 H new ATOM 0 HB2 ALA A1035 4.435 -27.236 7.766 1.00 0.00 H new ATOM 0 HB3 ALA A1035 5.569 -28.070 6.678 1.00 0.00 H new ATOM 1862 N SER A1036 8.509 -26.820 6.669 1.00 0.00 N ATOM 1863 CA SER A1036 9.894 -27.180 6.518 1.00 0.00 C ATOM 1864 C SER A1036 10.758 -26.128 7.194 1.00 0.00 C ATOM 1865 O SER A1036 10.715 -24.948 6.842 1.00 0.00 O ATOM 1866 CB SER A1036 10.254 -27.299 5.041 1.00 0.00 C ATOM 1867 OG SER A1036 9.474 -28.304 4.413 1.00 0.00 O ATOM 0 H SER A1036 8.089 -26.384 5.848 1.00 0.00 H new ATOM 0 HA SER A1036 10.071 -28.148 6.987 1.00 0.00 H new ATOM 0 HB2 SER A1036 10.092 -26.343 4.544 1.00 0.00 H new ATOM 0 HB3 SER A1036 11.313 -27.536 4.938 1.00 0.00 H new ATOM 0 HG SER A1036 9.719 -28.364 3.466 1.00 0.00 H new ATOM 1873 N SER A1037 11.483 -26.543 8.200 1.00 0.00 N ATOM 1874 CA SER A1037 12.383 -25.665 8.896 1.00 0.00 C ATOM 1875 C SER A1037 13.754 -25.785 8.246 1.00 0.00 C ATOM 1876 O SER A1037 14.229 -26.895 7.986 1.00 0.00 O ATOM 1877 CB SER A1037 12.434 -26.052 10.370 1.00 0.00 C ATOM 1878 OG SER A1037 11.135 -26.018 10.945 1.00 0.00 O ATOM 0 H SER A1037 11.465 -27.498 8.558 1.00 0.00 H new ATOM 0 HA SER A1037 12.045 -24.630 8.835 1.00 0.00 H new ATOM 0 HB2 SER A1037 12.857 -27.051 10.474 1.00 0.00 H new ATOM 0 HB3 SER A1037 13.093 -25.370 10.907 1.00 0.00 H new ATOM 0 HG SER A1037 11.189 -26.271 11.890 1.00 0.00 H new ATOM 1884 N THR A1038 14.364 -24.669 7.923 1.00 0.00 N ATOM 1885 CA THR A1038 15.664 -24.695 7.294 1.00 0.00 C ATOM 1886 C THR A1038 16.756 -24.975 8.333 1.00 0.00 C ATOM 1887 O THR A1038 17.875 -25.360 7.991 1.00 0.00 O ATOM 1888 CB THR A1038 15.943 -23.383 6.517 1.00 0.00 C ATOM 1889 OG1 THR A1038 17.134 -23.516 5.728 1.00 0.00 O ATOM 1890 CG2 THR A1038 16.087 -22.190 7.459 1.00 0.00 C ATOM 0 H THR A1038 13.984 -23.736 8.084 1.00 0.00 H new ATOM 0 HA THR A1038 15.673 -25.506 6.566 1.00 0.00 H new ATOM 0 HB THR A1038 15.089 -23.202 5.865 1.00 0.00 H new ATOM 0 HG1 THR A1038 17.299 -22.682 5.241 1.00 0.00 H new ATOM 0 HG21 THR A1038 16.282 -21.289 6.878 1.00 0.00 H new ATOM 0 HG22 THR A1038 15.166 -22.063 8.028 1.00 0.00 H new ATOM 0 HG23 THR A1038 16.916 -22.366 8.145 1.00 0.00 H new ATOM 1898 N ALA A1039 16.426 -24.793 9.601 1.00 0.00 N ATOM 1899 CA ALA A1039 17.360 -25.061 10.674 1.00 0.00 C ATOM 1900 C ALA A1039 16.938 -26.315 11.436 1.00 0.00 C ATOM 1901 O ALA A1039 15.870 -26.889 11.171 1.00 0.00 O ATOM 1902 CB ALA A1039 17.444 -23.860 11.602 1.00 0.00 C ATOM 0 H ALA A1039 15.513 -24.459 9.910 1.00 0.00 H new ATOM 0 HA ALA A1039 18.350 -25.237 10.253 1.00 0.00 H new ATOM 0 HB1 ALA A1039 18.149 -24.070 12.406 1.00 0.00 H new ATOM 0 HB2 ALA A1039 17.783 -22.989 11.041 1.00 0.00 H new ATOM 0 HB3 ALA A1039 16.460 -23.658 12.025 1.00 0.00 H new ATOM 1908 N ARG A1040 17.760 -26.735 12.377 1.00 0.00 N ATOM 1909 CA ARG A1040 17.499 -27.913 13.170 1.00 0.00 C ATOM 1910 C ARG A1040 18.032 -27.678 14.579 1.00 0.00 C ATOM 1911 O ARG A1040 19.212 -27.960 14.842 1.00 0.00 O ATOM 1912 CB ARG A1040 18.151 -29.137 12.518 1.00 0.00 C ATOM 1913 CG ARG A1040 18.018 -30.425 13.311 1.00 0.00 C ATOM 1914 CD ARG A1040 18.622 -31.585 12.551 1.00 0.00 C ATOM 1915 NE ARG A1040 18.719 -32.797 13.365 1.00 0.00 N ATOM 1916 CZ ARG A1040 18.342 -34.009 12.955 1.00 0.00 C ATOM 1917 NH1 ARG A1040 17.549 -34.150 11.898 1.00 0.00 N ATOM 1918 NH2 ARG A1040 18.705 -35.089 13.637 1.00 0.00 N ATOM 1919 OXT ARG A1040 17.279 -27.152 15.419 1.00 0.00 O ATOM 0 H ARG A1040 18.633 -26.263 12.612 1.00 0.00 H new ATOM 0 HA ARG A1040 16.428 -28.105 13.227 1.00 0.00 H new ATOM 0 HB2 ARG A1040 17.709 -29.286 11.533 1.00 0.00 H new ATOM 0 HB3 ARG A1040 19.210 -28.929 12.364 1.00 0.00 H new ATOM 0 HG2 ARG A1040 18.515 -30.317 14.275 1.00 0.00 H new ATOM 0 HG3 ARG A1040 16.966 -30.625 13.515 1.00 0.00 H new ATOM 0 HD2 ARG A1040 18.017 -31.791 11.668 1.00 0.00 H new ATOM 0 HD3 ARG A1040 19.615 -31.307 12.199 1.00 0.00 H new ATOM 0 HE ARG A1040 19.100 -32.709 14.307 1.00 0.00 H new ATOM 0 HH11 ARG A1040 17.223 -33.327 11.392 1.00 0.00 H new ATOM 0 HH12 ARG A1040 17.267 -35.081 11.593 1.00 0.00 H new ATOM 0 HH21 ARG A1040 19.274 -34.994 14.478 1.00 0.00 H new ATOM 0 HH22 ARG A1040 18.414 -36.014 13.320 1.00 0.00 H new TER 1933 ARG A1040