USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 965 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 15 TYR OH : rot 22:sc= -1.22! USER MOD Set 1.2: A 46 SER OG : rot 64:sc= 1.91 USER MOD Set 2.1: A 8 GLN : amide:sc= 0.206 K(o=2.6,f=-9!) USER MOD Set 2.2: A 12 LYS NZ :NH3+ 157:sc= 2.38 (180deg=0.733) USER MOD Single : A 1 SER N :NH3+ -118:sc= 1.12 (180deg=-0.916!) USER MOD Single : A 1 SER OG : rot 180:sc= 0.455 USER MOD Single : A 2 MET CE :methyl -161:sc= -0.0839 (180deg=-0.567) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.424 X(o=-0.42,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.765 K(o=-0.76,f=-1.8!) USER MOD Single : A 21 LYS NZ :NH3+ -125:sc= 1.07 (180deg=0.225) USER MOD Single : A 26 GLN : amide:sc= -0.0248 K(o=-0.025,f=-0.7) USER MOD Single : A 28 SER OG : rot 167:sc= 0.238 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 171:sc=-0.00398 (180deg=-0.14) USER MOD Single : A 34 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.9!) USER MOD Single : A 43 TYR OH : rot 176:sc= 0.0361 USER MOD Single : A 44 SER OG : rot 72:sc= 0.681 USER MOD Single : A 47 LYS NZ :NH3+ -134:sc= 0.435 (180deg=-0.03) USER MOD Single : A 55 TYR OH : rot 180:sc= 0.818 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= 2.16 (180deg=1.14) USER MOD Single : A 69 GLN : amide:sc= -0.762 K(o=-0.76,f=-1.8) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.147 K(o=-0.15,f=-3.9!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 75:sc= 0.977 USER MOD Single : A 86 HIS : no HD1:sc= -2.14 X(o=-2.1,f=-1.9) USER MOD Single : A 87 TYR OH : rot 150:sc= -2.04! USER MOD Single : A 92 TYR OH : rot -96:sc= 0.256 USER MOD Single : A 94 TYR OH : rot -118:sc= 0.542 USER MOD Single : A 96 MET CE :methyl -149:sc= -0.123 (180deg=-0.71) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN :FLIP amide:sc= -0.307 F(o=-3.7!,f=-0.31) USER MOD Single : A 99 SER OG : rot 150:sc= 0.856 USER MOD Single : A 102 ASN : amide:sc= -0.28 K(o=-0.28,f=-2.9!) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.216 K(o=-0.22,f=-3.8!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.00553 USER MOD Single : A 112 ASN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 154:sc= 1.26 (180deg=0.514) USER MOD Single : A 117 LYS NZ :NH3+ -177:sc= 0.92 (180deg=0.912) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.084 16.780 -3.659 1.00 0.00 N ATOM 2 CA SER A 1 4.999 15.884 -4.111 1.00 0.00 C ATOM 3 C SER A 1 5.557 14.523 -4.550 1.00 0.00 C ATOM 4 O SER A 1 5.666 13.601 -3.742 1.00 0.00 O ATOM 5 CB SER A 1 4.220 16.546 -5.256 1.00 0.00 C ATOM 6 OG SER A 1 5.098 16.947 -6.298 1.00 0.00 O ATOM 0 H1 SER A 1 5.939 17.023 -2.658 1.00 0.00 H new ATOM 0 H2 SER A 1 7.000 16.300 -3.770 1.00 0.00 H new ATOM 0 H3 SER A 1 6.077 17.649 -4.230 1.00 0.00 H new ATOM 0 HA SER A 1 4.320 15.710 -3.276 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.478 15.850 -5.647 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.676 17.412 -4.879 1.00 0.00 H new ATOM 0 HG SER A 1 4.581 17.365 -7.018 1.00 0.00 H new ATOM 14 N MET A 2 5.939 14.415 -5.826 1.00 0.00 N ATOM 15 CA MET A 2 6.422 13.152 -6.389 1.00 0.00 C ATOM 16 C MET A 2 7.927 13.007 -6.200 1.00 0.00 C ATOM 17 O MET A 2 8.446 11.892 -6.145 1.00 0.00 O ATOM 18 CB MET A 2 6.071 13.067 -7.882 1.00 0.00 C ATOM 19 CG MET A 2 4.572 13.038 -8.158 1.00 0.00 C ATOM 20 SD MET A 2 3.760 11.594 -7.440 1.00 0.00 S ATOM 21 CE MET A 2 4.550 10.265 -8.348 1.00 0.00 C ATOM 0 H MET A 2 5.923 15.190 -6.490 1.00 0.00 H new ATOM 0 HA MET A 2 5.930 12.337 -5.858 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.510 13.920 -8.399 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.526 12.171 -8.303 1.00 0.00 H new ATOM 0 HG2 MET A 2 4.115 13.943 -7.758 1.00 0.00 H new ATOM 0 HG3 MET A 2 4.405 13.046 -9.235 1.00 0.00 H new ATOM 0 HE1 MET A 2 3.942 9.363 -8.275 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.652 10.550 -9.395 1.00 0.00 H new ATOM 0 HE3 MET A 2 5.536 10.072 -7.926 1.00 0.00 H new ATOM 31 N ASN A 3 8.614 14.141 -6.093 1.00 0.00 N ATOM 32 CA ASN A 3 10.073 14.167 -5.951 1.00 0.00 C ATOM 33 C ASN A 3 10.527 13.304 -4.775 1.00 0.00 C ATOM 34 O ASN A 3 11.497 12.551 -4.880 1.00 0.00 O ATOM 35 CB ASN A 3 10.561 15.610 -5.758 1.00 0.00 C ATOM 36 CG ASN A 3 12.073 15.710 -5.611 1.00 0.00 C ATOM 37 OD1 ASN A 3 12.823 14.927 -6.194 1.00 0.00 O ATOM 38 ND2 ASN A 3 12.532 16.678 -4.832 1.00 0.00 N ATOM 0 H ASN A 3 8.181 15.065 -6.102 1.00 0.00 H new ATOM 0 HA ASN A 3 10.507 13.759 -6.864 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.243 16.212 -6.609 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.086 16.033 -4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 3 13.537 16.793 -4.700 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.881 17.309 -4.365 1.00 0.00 H new ATOM 45 N GLU A 4 9.797 13.401 -3.668 1.00 0.00 N ATOM 46 CA GLU A 4 10.143 12.681 -2.445 1.00 0.00 C ATOM 47 C GLU A 4 10.151 11.171 -2.684 1.00 0.00 C ATOM 48 O GLU A 4 10.847 10.430 -1.990 1.00 0.00 O ATOM 49 CB GLU A 4 9.174 13.031 -1.301 1.00 0.00 C ATOM 50 CG GLU A 4 9.146 14.514 -0.922 1.00 0.00 C ATOM 51 CD GLU A 4 8.147 15.329 -1.735 1.00 0.00 C ATOM 52 OE1 GLU A 4 8.427 15.641 -2.913 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.076 15.672 -1.195 1.00 0.00 O ATOM 0 H GLU A 4 8.957 13.975 -3.592 1.00 0.00 H new ATOM 0 HA GLU A 4 11.146 12.993 -2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.168 12.723 -1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.447 12.449 -0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.902 14.606 0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.142 14.935 -1.058 1.00 0.00 H new ATOM 60 N LEU A 5 9.369 10.720 -3.664 1.00 0.00 N ATOM 61 CA LEU A 5 9.368 9.311 -4.040 1.00 0.00 C ATOM 62 C LEU A 5 10.476 9.061 -5.061 1.00 0.00 C ATOM 63 O LEU A 5 11.316 8.179 -4.887 1.00 0.00 O ATOM 64 CB LEU A 5 8.013 8.887 -4.638 1.00 0.00 C ATOM 65 CG LEU A 5 7.768 7.362 -4.666 1.00 0.00 C ATOM 66 CD1 LEU A 5 7.164 6.886 -3.345 1.00 0.00 C ATOM 67 CD2 LEU A 5 6.895 6.948 -5.849 1.00 0.00 C ATOM 0 H LEU A 5 8.734 11.306 -4.207 1.00 0.00 H new ATOM 0 HA LEU A 5 9.540 8.718 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.215 9.359 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.944 9.271 -5.656 1.00 0.00 H new ATOM 0 HG LEU A 5 8.736 6.877 -4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.000 5.809 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.848 7.117 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.213 7.392 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.747 5.868 -5.832 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.929 7.448 -5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.385 7.232 -6.780 1.00 0.00 H new ATOM 79 N GLU A 6 10.487 9.884 -6.109 1.00 0.00 N ATOM 80 CA GLU A 6 11.416 9.721 -7.230 1.00 0.00 C ATOM 81 C GLU A 6 12.863 9.987 -6.793 1.00 0.00 C ATOM 82 O GLU A 6 13.798 9.825 -7.578 1.00 0.00 O ATOM 83 CB GLU A 6 11.012 10.665 -8.380 1.00 0.00 C ATOM 84 CG GLU A 6 11.693 10.355 -9.712 1.00 0.00 C ATOM 85 CD GLU A 6 11.286 11.314 -10.824 1.00 0.00 C ATOM 86 OE1 GLU A 6 10.144 11.212 -11.324 1.00 0.00 O ATOM 87 OE2 GLU A 6 12.109 12.175 -11.207 1.00 0.00 O ATOM 0 H GLU A 6 9.856 10.679 -6.206 1.00 0.00 H new ATOM 0 HA GLU A 6 11.362 8.690 -7.579 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.932 10.613 -8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.248 11.690 -8.094 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.774 10.398 -9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.448 9.336 -10.011 1.00 0.00 H new ATOM 94 N ALA A 7 13.033 10.418 -5.540 1.00 0.00 N ATOM 95 CA ALA A 7 14.355 10.618 -4.946 1.00 0.00 C ATOM 96 C ALA A 7 15.256 9.397 -5.156 1.00 0.00 C ATOM 97 O ALA A 7 16.449 9.536 -5.432 1.00 0.00 O ATOM 98 CB ALA A 7 14.219 10.928 -3.458 1.00 0.00 C ATOM 0 H ALA A 7 12.260 10.637 -4.912 1.00 0.00 H new ATOM 0 HA ALA A 7 14.824 11.465 -5.447 1.00 0.00 H new ATOM 0 HB1 ALA A 7 15.208 11.075 -3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.627 11.834 -3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.724 10.096 -2.957 1.00 0.00 H new ATOM 104 N GLN A 8 14.684 8.200 -5.022 1.00 0.00 N ATOM 105 CA GLN A 8 15.432 6.966 -5.260 1.00 0.00 C ATOM 106 C GLN A 8 15.462 6.672 -6.761 1.00 0.00 C ATOM 107 O GLN A 8 14.458 6.853 -7.453 1.00 0.00 O ATOM 108 CB GLN A 8 14.801 5.807 -4.479 1.00 0.00 C ATOM 109 CG GLN A 8 14.824 6.021 -2.968 1.00 0.00 C ATOM 110 CD GLN A 8 14.134 4.910 -2.196 1.00 0.00 C ATOM 111 OE1 GLN A 8 12.936 4.979 -1.920 1.00 0.00 O ATOM 112 NE2 GLN A 8 14.878 3.875 -1.846 1.00 0.00 N ATOM 0 H GLN A 8 13.711 8.059 -4.751 1.00 0.00 H new ATOM 0 HA GLN A 8 16.457 7.084 -4.909 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.769 5.676 -4.806 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.331 4.885 -4.718 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.859 6.098 -2.634 1.00 0.00 H new ATOM 0 HG3 GLN A 8 14.342 6.970 -2.735 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.868 3.852 -2.092 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.462 3.099 -1.330 1.00 0.00 H new ATOM 121 N THR A 9 16.595 6.184 -7.256 1.00 0.00 N ATOM 122 CA THR A 9 16.845 6.152 -8.694 1.00 0.00 C ATOM 123 C THR A 9 16.743 4.746 -9.288 1.00 0.00 C ATOM 124 O THR A 9 17.301 3.789 -8.756 1.00 0.00 O ATOM 125 CB THR A 9 18.234 6.744 -9.013 1.00 0.00 C ATOM 126 OG1 THR A 9 18.376 8.018 -8.367 1.00 0.00 O ATOM 127 CG2 THR A 9 18.430 6.915 -10.515 1.00 0.00 C ATOM 0 H THR A 9 17.352 5.807 -6.686 1.00 0.00 H new ATOM 0 HA THR A 9 16.064 6.758 -9.154 1.00 0.00 H new ATOM 0 HB THR A 9 18.990 6.051 -8.644 1.00 0.00 H new ATOM 0 HG1 THR A 9 19.259 8.391 -8.570 1.00 0.00 H new ATOM 0 HG21 THR A 9 19.418 7.334 -10.708 1.00 0.00 H new ATOM 0 HG22 THR A 9 18.345 5.945 -11.006 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.668 7.588 -10.907 1.00 0.00 H new ATOM 135 N ARG A 10 15.988 4.654 -10.388 1.00 0.00 N ATOM 136 CA ARG A 10 15.833 3.429 -11.190 1.00 0.00 C ATOM 137 C ARG A 10 15.339 2.227 -10.377 1.00 0.00 C ATOM 138 O ARG A 10 15.279 1.109 -10.890 1.00 0.00 O ATOM 139 CB ARG A 10 17.150 3.086 -11.901 1.00 0.00 C ATOM 140 CG ARG A 10 17.572 4.125 -12.934 1.00 0.00 C ATOM 141 CD ARG A 10 18.887 3.755 -13.607 1.00 0.00 C ATOM 142 NE ARG A 10 18.800 2.486 -14.333 1.00 0.00 N ATOM 143 CZ ARG A 10 19.824 1.927 -14.979 1.00 0.00 C ATOM 144 NH1 ARG A 10 21.013 2.515 -14.982 1.00 0.00 N ATOM 145 NH2 ARG A 10 19.654 0.781 -15.624 1.00 0.00 N ATOM 0 H ARG A 10 15.456 5.443 -10.755 1.00 0.00 H new ATOM 0 HA ARG A 10 15.060 3.641 -11.929 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.940 2.984 -11.157 1.00 0.00 H new ATOM 0 HB3 ARG A 10 17.047 2.118 -12.392 1.00 0.00 H new ATOM 0 HG2 ARG A 10 16.793 4.223 -13.690 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.672 5.097 -12.451 1.00 0.00 H new ATOM 0 HD2 ARG A 10 19.175 4.548 -14.298 1.00 0.00 H new ATOM 0 HD3 ARG A 10 19.672 3.687 -12.854 1.00 0.00 H new ATOM 0 HE ARG A 10 17.903 2.001 -14.345 1.00 0.00 H new ATOM 0 HH11 ARG A 10 21.147 3.398 -14.489 1.00 0.00 H new ATOM 0 HH12 ARG A 10 21.794 2.084 -15.477 1.00 0.00 H new ATOM 0 HH21 ARG A 10 18.740 0.328 -15.626 1.00 0.00 H new ATOM 0 HH22 ARG A 10 20.437 0.353 -16.118 1.00 0.00 H new ATOM 159 N VAL A 11 14.991 2.455 -9.121 1.00 0.00 N ATOM 160 CA VAL A 11 14.287 1.463 -8.324 1.00 0.00 C ATOM 161 C VAL A 11 12.870 1.952 -8.060 1.00 0.00 C ATOM 162 O VAL A 11 11.906 1.189 -8.114 1.00 0.00 O ATOM 163 CB VAL A 11 15.019 1.165 -6.987 1.00 0.00 C ATOM 164 CG1 VAL A 11 15.123 2.416 -6.113 1.00 0.00 C ATOM 165 CG2 VAL A 11 14.331 0.027 -6.234 1.00 0.00 C ATOM 0 H VAL A 11 15.187 3.326 -8.628 1.00 0.00 H new ATOM 0 HA VAL A 11 14.259 0.528 -8.884 1.00 0.00 H new ATOM 0 HB VAL A 11 16.034 0.850 -7.229 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.641 2.170 -5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.680 3.187 -6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.123 2.784 -5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.861 -0.164 -5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.300 0.306 -6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.341 -0.874 -6.848 1.00 0.00 H new ATOM 175 N LYS A 12 12.755 3.255 -7.811 1.00 0.00 N ATOM 176 CA LYS A 12 11.474 3.868 -7.492 1.00 0.00 C ATOM 177 C LYS A 12 10.740 4.232 -8.782 1.00 0.00 C ATOM 178 O LYS A 12 9.512 4.281 -8.816 1.00 0.00 O ATOM 179 CB LYS A 12 11.688 5.127 -6.634 1.00 0.00 C ATOM 180 CG LYS A 12 10.626 5.344 -5.556 1.00 0.00 C ATOM 181 CD LYS A 12 10.953 4.587 -4.267 1.00 0.00 C ATOM 182 CE LYS A 12 9.975 4.931 -3.145 1.00 0.00 C ATOM 183 NZ LYS A 12 10.352 4.300 -1.852 1.00 0.00 N ATOM 0 H LYS A 12 13.540 3.907 -7.825 1.00 0.00 H new ATOM 0 HA LYS A 12 10.871 3.157 -6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.666 5.065 -6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.708 5.999 -7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.542 6.409 -5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.656 5.018 -5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.925 3.514 -4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.968 4.828 -3.951 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.935 6.013 -3.020 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.974 4.606 -3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.931 4.838 -1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.001 3.321 -1.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.387 4.299 -1.755 1.00 0.00 H new ATOM 197 N LEU A 13 11.515 4.473 -9.843 1.00 0.00 N ATOM 198 CA LEU A 13 10.968 4.892 -11.135 1.00 0.00 C ATOM 199 C LEU A 13 10.143 3.775 -11.772 1.00 0.00 C ATOM 200 O LEU A 13 9.019 4.007 -12.208 1.00 0.00 O ATOM 201 CB LEU A 13 12.091 5.336 -12.092 1.00 0.00 C ATOM 202 CG LEU A 13 12.695 6.728 -11.820 1.00 0.00 C ATOM 203 CD1 LEU A 13 13.327 6.805 -10.432 1.00 0.00 C ATOM 204 CD2 LEU A 13 13.716 7.084 -12.898 1.00 0.00 C ATOM 0 H LEU A 13 12.531 4.384 -9.831 1.00 0.00 H new ATOM 0 HA LEU A 13 10.312 5.743 -10.953 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.892 4.598 -12.048 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.701 5.323 -13.110 1.00 0.00 H new ATOM 0 HG LEU A 13 11.884 7.455 -11.851 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.742 7.801 -10.276 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.568 6.606 -9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.122 6.064 -10.353 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.134 8.070 -12.692 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.516 6.344 -12.900 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.228 7.093 -13.873 1.00 0.00 H new ATOM 216 N ASN A 14 10.704 2.566 -11.821 1.00 0.00 N ATOM 217 CA ASN A 14 9.981 1.406 -12.353 1.00 0.00 C ATOM 218 C ASN A 14 8.660 1.218 -11.612 1.00 0.00 C ATOM 219 O ASN A 14 7.593 1.069 -12.223 1.00 0.00 O ATOM 220 CB ASN A 14 10.835 0.134 -12.228 1.00 0.00 C ATOM 221 CG ASN A 14 10.096 -1.128 -12.660 1.00 0.00 C ATOM 222 OD1 ASN A 14 10.302 -2.201 -12.088 1.00 0.00 O ATOM 223 ND2 ASN A 14 9.247 -1.023 -13.672 1.00 0.00 N ATOM 0 H ASN A 14 11.651 2.363 -11.501 1.00 0.00 H new ATOM 0 HA ASN A 14 9.773 1.587 -13.408 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.734 0.246 -12.834 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.159 0.022 -11.193 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.740 -1.845 -14.000 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.100 -0.120 -14.123 1.00 0.00 H new ATOM 230 N TYR A 15 8.743 1.241 -10.286 1.00 0.00 N ATOM 231 CA TYR A 15 7.566 1.121 -9.438 1.00 0.00 C ATOM 232 C TYR A 15 6.585 2.250 -9.727 1.00 0.00 C ATOM 233 O TYR A 15 5.379 2.030 -9.768 1.00 0.00 O ATOM 234 CB TYR A 15 7.965 1.140 -7.961 1.00 0.00 C ATOM 235 CG TYR A 15 6.782 1.055 -7.012 1.00 0.00 C ATOM 236 CD1 TYR A 15 6.249 -0.175 -6.643 1.00 0.00 C ATOM 237 CD2 TYR A 15 6.194 2.206 -6.492 1.00 0.00 C ATOM 238 CE1 TYR A 15 5.166 -0.257 -5.789 1.00 0.00 C ATOM 239 CE2 TYR A 15 5.115 2.131 -5.637 1.00 0.00 C ATOM 240 CZ TYR A 15 4.603 0.900 -5.291 1.00 0.00 C ATOM 241 OH TYR A 15 3.525 0.827 -4.444 1.00 0.00 O ATOM 0 H TYR A 15 9.620 1.342 -9.774 1.00 0.00 H new ATOM 0 HA TYR A 15 7.082 0.169 -9.658 1.00 0.00 H new ATOM 0 HB2 TYR A 15 8.639 0.306 -7.764 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.521 2.055 -7.755 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.689 -1.082 -7.031 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.590 3.173 -6.763 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.763 -1.220 -5.513 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.673 3.033 -5.240 1.00 0.00 H new ATOM 0 HH TYR A 15 3.500 -0.057 -4.022 1.00 0.00 H new ATOM 251 N LEU A 16 7.117 3.452 -9.924 1.00 0.00 N ATOM 252 CA LEU A 16 6.300 4.623 -10.227 1.00 0.00 C ATOM 253 C LEU A 16 5.548 4.389 -11.538 1.00 0.00 C ATOM 254 O LEU A 16 4.352 4.673 -11.650 1.00 0.00 O ATOM 255 CB LEU A 16 7.197 5.877 -10.307 1.00 0.00 C ATOM 256 CG LEU A 16 6.489 7.247 -10.213 1.00 0.00 C ATOM 257 CD1 LEU A 16 7.509 8.351 -9.933 1.00 0.00 C ATOM 258 CD2 LEU A 16 5.709 7.566 -11.490 1.00 0.00 C ATOM 0 H LEU A 16 8.118 3.642 -9.879 1.00 0.00 H new ATOM 0 HA LEU A 16 5.568 4.784 -9.436 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.934 5.820 -9.506 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.746 5.842 -11.248 1.00 0.00 H new ATOM 0 HG LEU A 16 5.777 7.196 -9.389 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.997 9.311 -9.869 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.017 8.147 -8.990 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.241 8.383 -10.740 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.224 8.537 -11.387 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.393 7.590 -12.338 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.953 6.799 -11.656 1.00 0.00 H new ATOM 270 N ASP A 17 6.262 3.832 -12.508 1.00 0.00 N ATOM 271 CA ASP A 17 5.704 3.539 -13.823 1.00 0.00 C ATOM 272 C ASP A 17 4.503 2.604 -13.702 1.00 0.00 C ATOM 273 O ASP A 17 3.419 2.901 -14.212 1.00 0.00 O ATOM 274 CB ASP A 17 6.783 2.912 -14.719 1.00 0.00 C ATOM 275 CG ASP A 17 6.268 2.526 -16.098 1.00 0.00 C ATOM 276 OD1 ASP A 17 6.103 3.423 -16.950 1.00 0.00 O ATOM 277 OD2 ASP A 17 6.060 1.320 -16.350 1.00 0.00 O ATOM 0 H ASP A 17 7.243 3.571 -12.406 1.00 0.00 H new ATOM 0 HA ASP A 17 5.365 4.471 -14.275 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.608 3.616 -14.830 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.185 2.026 -14.227 1.00 0.00 H new ATOM 282 N GLN A 18 4.689 1.487 -13.003 1.00 0.00 N ATOM 283 CA GLN A 18 3.627 0.488 -12.874 1.00 0.00 C ATOM 284 C GLN A 18 2.503 0.981 -11.949 1.00 0.00 C ATOM 285 O GLN A 18 1.322 0.797 -12.255 1.00 0.00 O ATOM 286 CB GLN A 18 4.205 -0.865 -12.403 1.00 0.00 C ATOM 287 CG GLN A 18 4.767 -0.875 -10.980 1.00 0.00 C ATOM 288 CD GLN A 18 3.715 -1.174 -9.921 1.00 0.00 C ATOM 289 OE1 GLN A 18 2.763 -1.914 -10.164 1.00 0.00 O ATOM 290 NE2 GLN A 18 3.870 -0.586 -8.748 1.00 0.00 N ATOM 0 H GLN A 18 5.556 1.250 -12.521 1.00 0.00 H new ATOM 0 HA GLN A 18 3.184 0.335 -13.858 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.422 -1.620 -12.472 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.996 -1.163 -13.091 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.560 -1.620 -10.915 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.221 0.093 -10.769 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.673 0.021 -8.584 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.187 -0.739 -8.006 1.00 0.00 H new ATOM 299 N ILE A 19 2.877 1.644 -10.845 1.00 0.00 N ATOM 300 CA ILE A 19 1.902 2.111 -9.847 1.00 0.00 C ATOM 301 C ILE A 19 1.025 3.209 -10.442 1.00 0.00 C ATOM 302 O ILE A 19 -0.103 3.438 -10.000 1.00 0.00 O ATOM 303 CB ILE A 19 2.591 2.647 -8.554 1.00 0.00 C ATOM 304 CG1 ILE A 19 1.599 2.705 -7.378 1.00 0.00 C ATOM 305 CG2 ILE A 19 3.201 4.028 -8.786 1.00 0.00 C ATOM 306 CD1 ILE A 19 1.197 1.345 -6.849 1.00 0.00 C ATOM 0 H ILE A 19 3.846 1.869 -10.620 1.00 0.00 H new ATOM 0 HA ILE A 19 1.291 1.251 -9.571 1.00 0.00 H new ATOM 0 HB ILE A 19 3.390 1.950 -8.301 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.044 3.282 -6.568 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.704 3.240 -7.696 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.674 4.376 -7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.947 3.968 -9.578 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.418 4.727 -9.078 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.497 1.468 -6.022 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.722 0.771 -7.644 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.082 0.815 -6.499 1.00 0.00 H new ATOM 318 N ALA A 20 1.565 3.904 -11.433 1.00 0.00 N ATOM 319 CA ALA A 20 0.809 4.910 -12.151 1.00 0.00 C ATOM 320 C ALA A 20 -0.084 4.257 -13.199 1.00 0.00 C ATOM 321 O ALA A 20 -1.310 4.285 -13.091 1.00 0.00 O ATOM 322 CB ALA A 20 1.753 5.916 -12.800 1.00 0.00 C ATOM 0 H ALA A 20 2.525 3.787 -11.756 1.00 0.00 H new ATOM 0 HA ALA A 20 0.173 5.441 -11.443 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.172 6.666 -13.336 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.352 6.403 -12.030 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.411 5.399 -13.498 1.00 0.00 H new ATOM 328 N LYS A 21 0.543 3.621 -14.183 1.00 0.00 N ATOM 329 CA LYS A 21 -0.166 3.125 -15.359 1.00 0.00 C ATOM 330 C LYS A 21 -1.257 2.116 -15.010 1.00 0.00 C ATOM 331 O LYS A 21 -2.380 2.243 -15.498 1.00 0.00 O ATOM 332 CB LYS A 21 0.823 2.526 -16.368 1.00 0.00 C ATOM 333 CG LYS A 21 1.801 3.540 -16.983 1.00 0.00 C ATOM 334 CD LYS A 21 1.155 4.432 -18.057 1.00 0.00 C ATOM 335 CE LYS A 21 0.264 5.528 -17.474 1.00 0.00 C ATOM 336 NZ LYS A 21 1.032 6.491 -16.641 1.00 0.00 N ATOM 0 H LYS A 21 1.546 3.436 -14.190 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.666 3.981 -15.812 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.396 1.742 -15.874 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.260 2.051 -17.171 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.205 4.171 -16.191 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.641 3.003 -17.423 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.940 4.892 -18.658 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.563 3.810 -18.728 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.228 6.064 -18.286 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.521 5.073 -16.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.605 6.549 -15.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.017 6.169 -16.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.012 7.430 -17.088 1.00 0.00 H new ATOM 350 N PHE A 22 -0.952 1.133 -14.162 1.00 0.00 N ATOM 351 CA PHE A 22 -1.939 0.105 -13.824 1.00 0.00 C ATOM 352 C PHE A 22 -3.227 0.755 -13.321 1.00 0.00 C ATOM 353 O PHE A 22 -4.303 0.556 -13.891 1.00 0.00 O ATOM 354 CB PHE A 22 -1.393 -0.871 -12.768 1.00 0.00 C ATOM 355 CG PHE A 22 -2.433 -1.838 -12.238 1.00 0.00 C ATOM 356 CD1 PHE A 22 -2.792 -2.968 -12.958 1.00 0.00 C ATOM 357 CD2 PHE A 22 -3.054 -1.607 -11.018 1.00 0.00 C ATOM 358 CE1 PHE A 22 -3.744 -3.844 -12.468 1.00 0.00 C ATOM 359 CE2 PHE A 22 -4.003 -2.476 -10.523 1.00 0.00 C ATOM 360 CZ PHE A 22 -4.350 -3.597 -11.249 1.00 0.00 C ATOM 0 H PHE A 22 -0.047 1.026 -13.704 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.153 -0.463 -14.729 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.569 -1.438 -13.202 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.983 -0.300 -11.935 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.324 -3.166 -13.911 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.789 -0.730 -10.446 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.014 -4.721 -13.037 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.473 -2.280 -9.571 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.093 -4.280 -10.866 1.00 0.00 H new ATOM 370 N TRP A 23 -3.092 1.558 -12.278 1.00 0.00 N ATOM 371 CA TRP A 23 -4.228 2.184 -11.619 1.00 0.00 C ATOM 372 C TRP A 23 -4.918 3.195 -12.538 1.00 0.00 C ATOM 373 O TRP A 23 -6.148 3.287 -12.557 1.00 0.00 O ATOM 374 CB TRP A 23 -3.765 2.846 -10.315 1.00 0.00 C ATOM 375 CG TRP A 23 -4.862 3.495 -9.525 1.00 0.00 C ATOM 376 CD1 TRP A 23 -4.815 4.719 -8.932 1.00 0.00 C ATOM 377 CD2 TRP A 23 -6.164 2.960 -9.238 1.00 0.00 C ATOM 378 NE1 TRP A 23 -6.004 4.989 -8.306 1.00 0.00 N ATOM 379 CE2 TRP A 23 -6.849 3.924 -8.475 1.00 0.00 C ATOM 380 CE3 TRP A 23 -6.819 1.765 -9.556 1.00 0.00 C ATOM 381 CZ2 TRP A 23 -8.152 3.729 -8.023 1.00 0.00 C ATOM 382 CZ3 TRP A 23 -8.111 1.574 -9.109 1.00 0.00 C ATOM 383 CH2 TRP A 23 -8.767 2.551 -8.349 1.00 0.00 C ATOM 0 H TRP A 23 -2.191 1.795 -11.863 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.963 1.414 -11.383 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.282 2.094 -9.692 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -3.011 3.597 -10.551 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -3.963 5.382 -8.952 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.224 5.845 -7.797 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -6.322 1.005 -10.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.659 4.481 -7.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.625 0.655 -9.349 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.778 2.371 -8.014 1.00 0.00 H new ATOM 394 N GLU A 24 -4.132 3.939 -13.318 1.00 0.00 N ATOM 395 CA GLU A 24 -4.698 4.931 -14.228 1.00 0.00 C ATOM 396 C GLU A 24 -5.541 4.250 -15.309 1.00 0.00 C ATOM 397 O GLU A 24 -6.619 4.729 -15.668 1.00 0.00 O ATOM 398 CB GLU A 24 -3.592 5.785 -14.875 1.00 0.00 C ATOM 399 CG GLU A 24 -2.875 6.718 -13.897 1.00 0.00 C ATOM 400 CD GLU A 24 -1.832 7.600 -14.572 1.00 0.00 C ATOM 401 OE1 GLU A 24 -2.198 8.686 -15.070 1.00 0.00 O ATOM 402 OE2 GLU A 24 -0.642 7.221 -14.607 1.00 0.00 O ATOM 0 H GLU A 24 -3.114 3.874 -13.337 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.341 5.591 -13.645 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.858 5.123 -15.334 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.029 6.381 -15.676 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.611 7.350 -13.401 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.392 6.122 -13.122 1.00 0.00 H new ATOM 409 N ILE A 25 -5.058 3.111 -15.805 1.00 0.00 N ATOM 410 CA ILE A 25 -5.749 2.383 -16.867 1.00 0.00 C ATOM 411 C ILE A 25 -6.861 1.499 -16.286 1.00 0.00 C ATOM 412 O ILE A 25 -7.618 0.862 -17.023 1.00 0.00 O ATOM 413 CB ILE A 25 -4.754 1.537 -17.717 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.609 2.424 -18.246 1.00 0.00 C ATOM 415 CG2 ILE A 25 -5.464 0.845 -18.886 1.00 0.00 C ATOM 416 CD1 ILE A 25 -4.073 3.604 -19.076 1.00 0.00 C ATOM 0 H ILE A 25 -4.192 2.674 -15.489 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.207 3.118 -17.530 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.338 0.766 -17.069 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.030 2.794 -17.400 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.938 1.812 -18.848 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.741 0.264 -19.458 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.239 0.182 -18.500 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.918 1.596 -19.532 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.208 4.177 -19.410 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.626 3.244 -19.943 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.719 4.241 -18.473 1.00 0.00 H new ATOM 428 N GLN A 26 -6.975 1.479 -14.959 1.00 0.00 N ATOM 429 CA GLN A 26 -8.119 0.839 -14.298 1.00 0.00 C ATOM 430 C GLN A 26 -9.353 1.747 -14.359 1.00 0.00 C ATOM 431 O GLN A 26 -10.369 1.475 -13.712 1.00 0.00 O ATOM 432 CB GLN A 26 -7.780 0.490 -12.839 1.00 0.00 C ATOM 433 CG GLN A 26 -6.817 -0.684 -12.698 1.00 0.00 C ATOM 434 CD GLN A 26 -7.419 -2.003 -13.153 1.00 0.00 C ATOM 435 OE1 GLN A 26 -8.620 -2.237 -13.009 1.00 0.00 O ATOM 436 NE2 GLN A 26 -6.597 -2.871 -13.718 1.00 0.00 N ATOM 0 H GLN A 26 -6.296 1.895 -14.321 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.344 -0.087 -14.828 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.345 1.365 -12.357 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.702 0.258 -12.306 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.918 -0.481 -13.280 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.509 -0.771 -11.656 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.608 -2.644 -13.821 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.952 -3.767 -14.051 1.00 0.00 H new ATOM 445 N GLY A 27 -9.253 2.825 -15.145 1.00 0.00 N ATOM 446 CA GLY A 27 -10.358 3.755 -15.311 1.00 0.00 C ATOM 447 C GLY A 27 -10.322 4.864 -14.281 1.00 0.00 C ATOM 448 O GLY A 27 -11.245 5.677 -14.189 1.00 0.00 O ATOM 0 H GLY A 27 -8.415 3.068 -15.673 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.322 4.187 -16.311 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.302 3.216 -15.231 1.00 0.00 H new ATOM 452 N SER A 28 -9.236 4.910 -13.525 1.00 0.00 N ATOM 453 CA SER A 28 -9.097 5.852 -12.423 1.00 0.00 C ATOM 454 C SER A 28 -7.845 6.706 -12.607 1.00 0.00 C ATOM 455 O SER A 28 -7.211 6.668 -13.661 1.00 0.00 O ATOM 456 CB SER A 28 -9.040 5.078 -11.102 1.00 0.00 C ATOM 457 OG SER A 28 -10.184 4.251 -10.949 1.00 0.00 O ATOM 0 H SER A 28 -8.430 4.299 -13.656 1.00 0.00 H new ATOM 0 HA SER A 28 -9.957 6.521 -12.406 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.138 4.467 -11.073 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.978 5.778 -10.268 1.00 0.00 H new ATOM 0 HG SER A 28 -10.035 3.619 -10.215 1.00 0.00 H new ATOM 463 N SER A 29 -7.508 7.490 -11.593 1.00 0.00 N ATOM 464 CA SER A 29 -6.314 8.319 -11.626 1.00 0.00 C ATOM 465 C SER A 29 -5.530 8.148 -10.330 1.00 0.00 C ATOM 466 O SER A 29 -6.120 8.035 -9.249 1.00 0.00 O ATOM 467 CB SER A 29 -6.698 9.788 -11.846 1.00 0.00 C ATOM 468 OG SER A 29 -7.690 10.209 -10.917 1.00 0.00 O ATOM 0 H SER A 29 -8.049 7.569 -10.732 1.00 0.00 H new ATOM 0 HA SER A 29 -5.680 8.006 -12.456 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.813 10.416 -11.745 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.069 9.921 -12.862 1.00 0.00 H new ATOM 0 HG SER A 29 -7.913 11.149 -11.080 1.00 0.00 H new ATOM 474 N LEU A 30 -4.209 8.105 -10.440 1.00 0.00 N ATOM 475 CA LEU A 30 -3.357 7.910 -9.278 1.00 0.00 C ATOM 476 C LEU A 30 -3.298 9.182 -8.442 1.00 0.00 C ATOM 477 O LEU A 30 -2.910 10.244 -8.936 1.00 0.00 O ATOM 478 CB LEU A 30 -1.943 7.489 -9.705 1.00 0.00 C ATOM 479 CG LEU A 30 -0.971 7.194 -8.546 1.00 0.00 C ATOM 480 CD1 LEU A 30 -1.486 6.047 -7.678 1.00 0.00 C ATOM 481 CD2 LEU A 30 0.424 6.884 -9.078 1.00 0.00 C ATOM 0 H LEU A 30 -3.706 8.203 -11.322 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.786 7.112 -8.672 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.019 6.600 -10.330 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.517 8.279 -10.324 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.909 8.086 -7.923 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.782 5.859 -6.868 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.457 6.314 -7.260 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.588 5.148 -8.286 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.094 6.679 -8.243 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.379 6.012 -9.730 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.797 7.739 -9.641 1.00 0.00 H new ATOM 493 N LYS A 31 -3.707 9.073 -7.184 1.00 0.00 N ATOM 494 CA LYS A 31 -3.639 10.187 -6.248 1.00 0.00 C ATOM 495 C LYS A 31 -3.055 9.686 -4.931 1.00 0.00 C ATOM 496 O LYS A 31 -3.740 9.023 -4.146 1.00 0.00 O ATOM 497 CB LYS A 31 -5.036 10.814 -6.044 1.00 0.00 C ATOM 498 CG LYS A 31 -5.032 12.197 -5.374 1.00 0.00 C ATOM 499 CD LYS A 31 -4.783 12.126 -3.865 1.00 0.00 C ATOM 500 CE LYS A 31 -4.688 13.513 -3.239 1.00 0.00 C ATOM 501 NZ LYS A 31 -5.910 14.326 -3.485 1.00 0.00 N ATOM 0 H LYS A 31 -4.092 8.216 -6.786 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.993 10.968 -6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.526 10.898 -7.014 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.638 10.135 -5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.263 12.817 -5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.988 12.687 -5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.590 11.568 -3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.860 11.578 -3.675 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.529 13.415 -2.165 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.820 14.034 -3.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.867 15.197 -2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.966 14.572 -4.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.752 13.778 -3.215 1.00 0.00 H new ATOM 515 N ILE A 32 -1.780 9.982 -4.715 1.00 0.00 N ATOM 516 CA ILE A 32 -1.067 9.545 -3.519 1.00 0.00 C ATOM 517 C ILE A 32 -0.855 10.721 -2.560 1.00 0.00 C ATOM 518 O ILE A 32 -0.096 11.647 -2.853 1.00 0.00 O ATOM 519 CB ILE A 32 0.287 8.872 -3.883 1.00 0.00 C ATOM 520 CG1 ILE A 32 1.041 9.695 -4.943 1.00 0.00 C ATOM 521 CG2 ILE A 32 0.054 7.442 -4.373 1.00 0.00 C ATOM 522 CD1 ILE A 32 2.273 9.005 -5.497 1.00 0.00 C ATOM 0 H ILE A 32 -1.211 10.530 -5.361 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.680 8.798 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 32 0.904 8.834 -2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.362 9.919 -5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.337 10.648 -4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.010 6.983 -4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.431 6.863 -3.587 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.583 7.460 -5.257 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.748 9.648 -6.237 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.974 8.805 -4.686 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.983 8.065 -5.966 1.00 0.00 H new ATOM 534 N PRO A 33 -1.571 10.718 -1.415 1.00 0.00 N ATOM 535 CA PRO A 33 -1.508 11.799 -0.423 1.00 0.00 C ATOM 536 C PRO A 33 -0.198 11.809 0.372 1.00 0.00 C ATOM 537 O PRO A 33 0.720 11.022 0.111 1.00 0.00 O ATOM 538 CB PRO A 33 -2.709 11.513 0.507 1.00 0.00 C ATOM 539 CG PRO A 33 -3.505 10.452 -0.184 1.00 0.00 C ATOM 540 CD PRO A 33 -2.518 9.674 -1.002 1.00 0.00 C ATOM 0 HA PRO A 33 -1.545 12.779 -0.900 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.374 11.176 1.488 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.306 12.411 0.665 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.010 9.809 0.537 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.278 10.891 -0.815 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.033 8.891 -0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.989 9.189 -1.857 1.00 0.00 H new ATOM 548 N ASN A 34 -0.133 12.701 1.358 1.00 0.00 N ATOM 549 CA ASN A 34 1.072 12.906 2.153 1.00 0.00 C ATOM 550 C ASN A 34 0.737 12.901 3.632 1.00 0.00 C ATOM 551 O ASN A 34 -0.396 13.188 4.029 1.00 0.00 O ATOM 552 CB ASN A 34 1.729 14.245 1.782 1.00 0.00 C ATOM 553 CG ASN A 34 1.997 14.377 0.292 1.00 0.00 C ATOM 554 OD1 ASN A 34 3.085 14.065 -0.193 1.00 0.00 O ATOM 555 ND2 ASN A 34 0.997 14.832 -0.449 1.00 0.00 N ATOM 0 H ASN A 34 -0.913 13.300 1.627 1.00 0.00 H new ATOM 0 HA ASN A 34 1.766 12.092 1.942 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.084 15.062 2.104 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.668 14.347 2.326 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.114 14.934 -1.457 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.110 15.080 -0.011 1.00 0.00 H new ATOM 562 N VAL A 35 1.727 12.550 4.436 1.00 0.00 N ATOM 563 CA VAL A 35 1.619 12.623 5.880 1.00 0.00 C ATOM 564 C VAL A 35 2.966 13.057 6.461 1.00 0.00 C ATOM 565 O VAL A 35 4.009 12.743 5.889 1.00 0.00 O ATOM 566 CB VAL A 35 1.169 11.269 6.496 1.00 0.00 C ATOM 567 CG1 VAL A 35 2.156 10.155 6.151 1.00 0.00 C ATOM 568 CG2 VAL A 35 0.983 11.389 8.008 1.00 0.00 C ATOM 0 H VAL A 35 2.628 12.206 4.104 1.00 0.00 H new ATOM 0 HA VAL A 35 0.854 13.357 6.133 1.00 0.00 H new ATOM 0 HB VAL A 35 0.204 11.008 6.061 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.817 9.219 6.594 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.215 10.044 5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.141 10.407 6.544 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.668 10.427 8.413 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.926 11.686 8.468 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.222 12.140 8.223 1.00 0.00 H new ATOM 578 N GLU A 36 2.924 13.842 7.544 1.00 0.00 N ATOM 579 CA GLU A 36 4.124 14.352 8.236 1.00 0.00 C ATOM 580 C GLU A 36 5.017 15.161 7.295 1.00 0.00 C ATOM 581 O GLU A 36 6.215 15.337 7.539 1.00 0.00 O ATOM 582 CB GLU A 36 4.918 13.258 8.966 1.00 0.00 C ATOM 583 CG GLU A 36 5.657 12.254 8.090 1.00 0.00 C ATOM 584 CD GLU A 36 6.708 11.472 8.864 1.00 0.00 C ATOM 585 OE1 GLU A 36 6.364 10.854 9.892 1.00 0.00 O ATOM 586 OE2 GLU A 36 7.890 11.493 8.451 1.00 0.00 O ATOM 0 H GLU A 36 2.050 14.147 7.972 1.00 0.00 H new ATOM 0 HA GLU A 36 3.757 15.025 9.011 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.645 13.742 9.618 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.230 12.709 9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.939 11.559 7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.135 12.780 7.263 1.00 0.00 H new ATOM 593 N ARG A 37 4.391 15.654 6.234 1.00 0.00 N ATOM 594 CA ARG A 37 5.023 16.517 5.216 1.00 0.00 C ATOM 595 C ARG A 37 5.823 15.708 4.197 1.00 0.00 C ATOM 596 O ARG A 37 6.544 16.278 3.372 1.00 0.00 O ATOM 597 CB ARG A 37 5.918 17.618 5.835 1.00 0.00 C ATOM 598 CG ARG A 37 5.158 18.761 6.512 1.00 0.00 C ATOM 599 CD ARG A 37 4.472 18.318 7.796 1.00 0.00 C ATOM 600 NE ARG A 37 3.795 19.423 8.468 1.00 0.00 N ATOM 601 CZ ARG A 37 3.760 19.590 9.790 1.00 0.00 C ATOM 602 NH1 ARG A 37 4.403 18.747 10.592 1.00 0.00 N ATOM 603 NH2 ARG A 37 3.092 20.612 10.301 1.00 0.00 N ATOM 0 H ARG A 37 3.407 15.467 6.043 1.00 0.00 H new ATOM 0 HA ARG A 37 4.199 17.010 4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.581 17.158 6.568 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.550 18.035 5.051 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.850 19.573 6.734 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.413 19.157 5.823 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.748 17.535 7.568 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.211 17.883 8.469 1.00 0.00 H new ATOM 0 HE ARG A 37 3.317 20.113 7.888 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.927 17.967 10.197 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.372 18.881 11.603 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.609 21.265 9.684 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.060 20.747 11.312 1.00 0.00 H new ATOM 617 N ARG A 38 5.685 14.388 4.232 1.00 0.00 N ATOM 618 CA ARG A 38 6.350 13.530 3.258 1.00 0.00 C ATOM 619 C ARG A 38 5.311 12.695 2.517 1.00 0.00 C ATOM 620 O ARG A 38 4.222 12.445 3.038 1.00 0.00 O ATOM 621 CB ARG A 38 7.398 12.630 3.939 1.00 0.00 C ATOM 622 CG ARG A 38 6.845 11.330 4.521 1.00 0.00 C ATOM 623 CD ARG A 38 7.919 10.551 5.277 1.00 0.00 C ATOM 624 NE ARG A 38 7.641 9.113 5.306 1.00 0.00 N ATOM 625 CZ ARG A 38 7.784 8.336 6.380 1.00 0.00 C ATOM 626 NH1 ARG A 38 8.080 8.859 7.563 1.00 0.00 N ATOM 627 NH2 ARG A 38 7.613 7.025 6.267 1.00 0.00 N ATOM 0 H ARG A 38 5.121 13.890 4.921 1.00 0.00 H new ATOM 0 HA ARG A 38 6.877 14.157 2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.173 12.386 3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.877 13.195 4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.017 11.555 5.193 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.444 10.712 3.717 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.888 10.723 4.808 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.988 10.927 6.298 1.00 0.00 H new ATOM 0 HE ARG A 38 7.315 8.675 4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.201 9.867 7.659 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.186 8.253 8.376 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.374 6.618 5.363 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.721 6.424 7.084 1.00 0.00 H new ATOM 641 N ILE A 39 5.645 12.278 1.302 1.00 0.00 N ATOM 642 CA ILE A 39 4.729 11.499 0.478 1.00 0.00 C ATOM 643 C ILE A 39 4.466 10.131 1.106 1.00 0.00 C ATOM 644 O ILE A 39 5.359 9.536 1.720 1.00 0.00 O ATOM 645 CB ILE A 39 5.282 11.318 -0.961 1.00 0.00 C ATOM 646 CG1 ILE A 39 4.262 10.591 -1.856 1.00 0.00 C ATOM 647 CG2 ILE A 39 6.616 10.569 -0.940 1.00 0.00 C ATOM 648 CD1 ILE A 39 4.726 10.407 -3.287 1.00 0.00 C ATOM 0 H ILE A 39 6.547 12.467 0.864 1.00 0.00 H new ATOM 0 HA ILE A 39 3.791 12.050 0.421 1.00 0.00 H new ATOM 0 HB ILE A 39 5.454 12.308 -1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.046 9.613 -1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.328 11.152 -1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.985 10.454 -1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.341 11.133 -0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.474 9.585 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.955 9.888 -3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.914 11.382 -3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.644 9.819 -3.299 1.00 0.00 H new ATOM 660 N LEU A 40 3.237 9.646 0.965 1.00 0.00 N ATOM 661 CA LEU A 40 2.877 8.327 1.468 1.00 0.00 C ATOM 662 C LEU A 40 3.597 7.263 0.639 1.00 0.00 C ATOM 663 O LEU A 40 3.262 7.040 -0.526 1.00 0.00 O ATOM 664 CB LEU A 40 1.356 8.122 1.406 1.00 0.00 C ATOM 665 CG LEU A 40 0.839 6.854 2.104 1.00 0.00 C ATOM 666 CD1 LEU A 40 1.131 6.907 3.604 1.00 0.00 C ATOM 667 CD2 LEU A 40 -0.655 6.667 1.848 1.00 0.00 C ATOM 0 H LEU A 40 2.475 10.146 0.507 1.00 0.00 H new ATOM 0 HA LEU A 40 3.183 8.242 2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.870 8.988 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.052 8.092 0.360 1.00 0.00 H new ATOM 0 HG LEU A 40 1.364 5.995 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.757 6.000 4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.207 6.983 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.638 7.776 4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.000 5.764 2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.201 7.528 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.832 6.576 0.776 1.00 0.00 H new ATOM 679 N ASP A 41 4.602 6.628 1.236 1.00 0.00 N ATOM 680 CA ASP A 41 5.441 5.674 0.514 1.00 0.00 C ATOM 681 C ASP A 41 4.668 4.383 0.245 1.00 0.00 C ATOM 682 O ASP A 41 4.756 3.410 1.001 1.00 0.00 O ATOM 683 CB ASP A 41 6.732 5.383 1.296 1.00 0.00 C ATOM 684 CG ASP A 41 7.845 4.830 0.413 1.00 0.00 C ATOM 685 OD1 ASP A 41 7.791 3.644 0.044 1.00 0.00 O ATOM 686 OD2 ASP A 41 8.785 5.584 0.084 1.00 0.00 O ATOM 0 H ASP A 41 4.855 6.756 2.216 1.00 0.00 H new ATOM 0 HA ASP A 41 5.719 6.115 -0.443 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.076 6.300 1.775 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.517 4.669 2.091 1.00 0.00 H new ATOM 691 N LEU A 42 3.880 4.411 -0.828 1.00 0.00 N ATOM 692 CA LEU A 42 3.061 3.273 -1.245 1.00 0.00 C ATOM 693 C LEU A 42 3.958 2.056 -1.503 1.00 0.00 C ATOM 694 O LEU A 42 3.542 0.909 -1.335 1.00 0.00 O ATOM 695 CB LEU A 42 2.268 3.660 -2.517 1.00 0.00 C ATOM 696 CG LEU A 42 0.883 2.998 -2.702 1.00 0.00 C ATOM 697 CD1 LEU A 42 0.151 3.608 -3.898 1.00 0.00 C ATOM 698 CD2 LEU A 42 0.999 1.488 -2.874 1.00 0.00 C ATOM 0 H LEU A 42 3.791 5.226 -1.435 1.00 0.00 H new ATOM 0 HA LEU A 42 2.354 3.011 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.131 4.741 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.880 3.417 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 42 0.307 3.189 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.822 3.129 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.012 4.677 -3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.740 3.454 -4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.005 1.059 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.605 1.267 -3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.470 1.056 -1.991 1.00 0.00 H new ATOM 710 N TYR A 43 5.203 2.335 -1.879 1.00 0.00 N ATOM 711 CA TYR A 43 6.181 1.302 -2.209 1.00 0.00 C ATOM 712 C TYR A 43 6.401 0.372 -1.015 1.00 0.00 C ATOM 713 O TYR A 43 6.139 -0.836 -1.088 1.00 0.00 O ATOM 714 CB TYR A 43 7.505 1.971 -2.610 1.00 0.00 C ATOM 715 CG TYR A 43 8.401 1.137 -3.506 1.00 0.00 C ATOM 716 CD1 TYR A 43 8.526 -0.239 -3.347 1.00 0.00 C ATOM 717 CD2 TYR A 43 9.120 1.744 -4.522 1.00 0.00 C ATOM 718 CE1 TYR A 43 9.343 -0.979 -4.178 1.00 0.00 C ATOM 719 CE2 TYR A 43 9.937 1.017 -5.355 1.00 0.00 C ATOM 720 CZ TYR A 43 10.049 -0.346 -5.180 1.00 0.00 C ATOM 721 OH TYR A 43 10.863 -1.079 -6.011 1.00 0.00 O ATOM 0 H TYR A 43 5.563 3.286 -1.964 1.00 0.00 H new ATOM 0 HA TYR A 43 5.806 0.706 -3.041 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.281 2.909 -3.118 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.056 2.223 -1.704 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.976 -0.736 -2.562 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.037 2.812 -4.663 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.429 -2.047 -4.044 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.488 1.511 -6.142 1.00 0.00 H new ATOM 0 HH TYR A 43 11.237 -0.494 -6.702 1.00 0.00 H new ATOM 731 N SER A 44 6.873 0.955 0.083 1.00 0.00 N ATOM 732 CA SER A 44 7.143 0.208 1.302 1.00 0.00 C ATOM 733 C SER A 44 5.869 -0.470 1.788 1.00 0.00 C ATOM 734 O SER A 44 5.898 -1.611 2.236 1.00 0.00 O ATOM 735 CB SER A 44 7.713 1.137 2.382 1.00 0.00 C ATOM 736 OG SER A 44 8.912 1.755 1.935 1.00 0.00 O ATOM 0 H SER A 44 7.077 1.952 0.151 1.00 0.00 H new ATOM 0 HA SER A 44 7.886 -0.561 1.091 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.978 1.901 2.636 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.909 0.568 3.291 1.00 0.00 H new ATOM 0 HG SER A 44 8.699 2.429 1.256 1.00 0.00 H new ATOM 742 N LEU A 45 4.749 0.233 1.661 1.00 0.00 N ATOM 743 CA LEU A 45 3.448 -0.315 2.024 1.00 0.00 C ATOM 744 C LEU A 45 3.188 -1.612 1.264 1.00 0.00 C ATOM 745 O LEU A 45 2.842 -2.632 1.859 1.00 0.00 O ATOM 746 CB LEU A 45 2.339 0.703 1.721 1.00 0.00 C ATOM 747 CG LEU A 45 0.899 0.185 1.888 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.624 -0.216 3.337 1.00 0.00 C ATOM 749 CD2 LEU A 45 -0.107 1.229 1.410 1.00 0.00 C ATOM 0 H LEU A 45 4.717 1.189 1.307 1.00 0.00 H new ATOM 0 HA LEU A 45 3.448 -0.529 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.474 1.566 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.463 1.055 0.697 1.00 0.00 H new ATOM 0 HG LEU A 45 0.786 -0.705 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.400 -0.578 3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.315 -1.005 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.761 0.649 3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.119 0.844 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.010 2.141 1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.069 1.448 0.357 1.00 0.00 H new ATOM 761 N SER A 46 3.403 -1.572 -0.048 1.00 0.00 N ATOM 762 CA SER A 46 3.121 -2.714 -0.907 1.00 0.00 C ATOM 763 C SER A 46 3.984 -3.900 -0.503 1.00 0.00 C ATOM 764 O SER A 46 3.477 -4.993 -0.222 1.00 0.00 O ATOM 765 CB SER A 46 3.381 -2.354 -2.375 1.00 0.00 C ATOM 766 OG SER A 46 2.648 -1.204 -2.757 1.00 0.00 O ATOM 0 H SER A 46 3.773 -0.758 -0.539 1.00 0.00 H new ATOM 0 HA SER A 46 2.071 -2.984 -0.792 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.446 -2.177 -2.526 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.104 -3.194 -3.013 1.00 0.00 H new ATOM 0 HG SER A 46 2.963 -0.430 -2.245 1.00 0.00 H new ATOM 772 N LYS A 47 5.294 -3.667 -0.441 1.00 0.00 N ATOM 773 CA LYS A 47 6.231 -4.739 -0.150 1.00 0.00 C ATOM 774 C LYS A 47 5.961 -5.303 1.243 1.00 0.00 C ATOM 775 O LYS A 47 5.960 -6.515 1.427 1.00 0.00 O ATOM 776 CB LYS A 47 7.688 -4.258 -0.272 1.00 0.00 C ATOM 777 CG LYS A 47 8.147 -3.358 0.866 1.00 0.00 C ATOM 778 CD LYS A 47 9.604 -2.931 0.707 1.00 0.00 C ATOM 779 CE LYS A 47 10.179 -2.410 2.017 1.00 0.00 C ATOM 780 NZ LYS A 47 10.287 -3.489 3.037 1.00 0.00 N ATOM 0 H LYS A 47 5.723 -2.753 -0.587 1.00 0.00 H new ATOM 0 HA LYS A 47 6.086 -5.530 -0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.343 -5.128 -0.319 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.804 -3.721 -1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.512 -2.473 0.906 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.024 -3.882 1.814 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.196 -3.777 0.360 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.676 -2.157 -0.057 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.164 -1.979 1.837 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.546 -1.609 2.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.918 -3.145 3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.734 -4.314 2.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.284 -3.762 3.149 1.00 0.00 H new ATOM 794 N ILE A 48 5.688 -4.421 2.210 1.00 0.00 N ATOM 795 CA ILE A 48 5.436 -4.849 3.586 1.00 0.00 C ATOM 796 C ILE A 48 4.210 -5.752 3.652 1.00 0.00 C ATOM 797 O ILE A 48 4.244 -6.795 4.300 1.00 0.00 O ATOM 798 CB ILE A 48 5.265 -3.646 4.552 1.00 0.00 C ATOM 799 CG1 ILE A 48 6.617 -2.941 4.772 1.00 0.00 C ATOM 800 CG2 ILE A 48 4.669 -4.093 5.890 1.00 0.00 C ATOM 801 CD1 ILE A 48 6.551 -1.756 5.716 1.00 0.00 C ATOM 0 H ILE A 48 5.636 -3.413 2.065 1.00 0.00 H new ATOM 0 HA ILE A 48 6.312 -5.410 3.911 1.00 0.00 H new ATOM 0 HB ILE A 48 4.571 -2.940 4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.332 -3.664 5.164 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.000 -2.604 3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.561 -3.230 6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.692 -4.545 5.720 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.330 -4.823 6.357 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.543 -1.316 5.817 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.862 -1.011 5.317 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.200 -2.088 6.693 1.00 0.00 H new ATOM 813 N VAL A 49 3.136 -5.364 2.969 1.00 0.00 N ATOM 814 CA VAL A 49 1.935 -6.193 2.914 1.00 0.00 C ATOM 815 C VAL A 49 2.274 -7.573 2.347 1.00 0.00 C ATOM 816 O VAL A 49 1.826 -8.597 2.866 1.00 0.00 O ATOM 817 CB VAL A 49 0.818 -5.537 2.062 1.00 0.00 C ATOM 818 CG1 VAL A 49 -0.379 -6.476 1.903 1.00 0.00 C ATOM 819 CG2 VAL A 49 0.378 -4.213 2.685 1.00 0.00 C ATOM 0 H VAL A 49 3.072 -4.488 2.450 1.00 0.00 H new ATOM 0 HA VAL A 49 1.561 -6.296 3.933 1.00 0.00 H new ATOM 0 HB VAL A 49 1.225 -5.339 1.070 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.146 -5.989 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.059 -7.393 1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.786 -6.716 2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.406 -3.766 2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.003 -4.393 3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.229 -3.534 2.736 1.00 0.00 H new ATOM 829 N VAL A 50 3.096 -7.588 1.296 1.00 0.00 N ATOM 830 CA VAL A 50 3.556 -8.841 0.694 1.00 0.00 C ATOM 831 C VAL A 50 4.464 -9.613 1.663 1.00 0.00 C ATOM 832 O VAL A 50 4.511 -10.846 1.642 1.00 0.00 O ATOM 833 CB VAL A 50 4.309 -8.584 -0.639 1.00 0.00 C ATOM 834 CG1 VAL A 50 4.810 -9.892 -1.257 1.00 0.00 C ATOM 835 CG2 VAL A 50 3.417 -7.829 -1.624 1.00 0.00 C ATOM 0 H VAL A 50 3.457 -6.748 0.844 1.00 0.00 H new ATOM 0 HA VAL A 50 2.672 -9.443 0.481 1.00 0.00 H new ATOM 0 HB VAL A 50 5.179 -7.967 -0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.333 -9.677 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.492 -10.384 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.963 -10.547 -1.459 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.963 -7.658 -2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.524 -8.418 -1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.127 -6.871 -1.192 1.00 0.00 H new ATOM 845 N GLU A 51 5.187 -8.880 2.512 1.00 0.00 N ATOM 846 CA GLU A 51 6.064 -9.491 3.517 1.00 0.00 C ATOM 847 C GLU A 51 5.242 -10.015 4.695 1.00 0.00 C ATOM 848 O GLU A 51 5.643 -10.961 5.377 1.00 0.00 O ATOM 849 CB GLU A 51 7.112 -8.479 4.018 1.00 0.00 C ATOM 850 CG GLU A 51 8.060 -7.975 2.930 1.00 0.00 C ATOM 851 CD GLU A 51 9.122 -7.014 3.452 1.00 0.00 C ATOM 852 OE1 GLU A 51 8.845 -5.796 3.567 1.00 0.00 O ATOM 853 OE2 GLU A 51 10.248 -7.473 3.740 1.00 0.00 O ATOM 0 H GLU A 51 5.183 -7.860 2.525 1.00 0.00 H new ATOM 0 HA GLU A 51 6.584 -10.326 3.048 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.596 -7.626 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.699 -8.942 4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.551 -8.828 2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.479 -7.477 2.154 1.00 0.00 H new ATOM 860 N GLU A 52 4.093 -9.386 4.928 1.00 0.00 N ATOM 861 CA GLU A 52 3.197 -9.766 6.017 1.00 0.00 C ATOM 862 C GLU A 52 2.288 -10.919 5.588 1.00 0.00 C ATOM 863 O GLU A 52 1.880 -11.738 6.415 1.00 0.00 O ATOM 864 CB GLU A 52 2.375 -8.552 6.472 1.00 0.00 C ATOM 865 CG GLU A 52 3.208 -7.432 7.101 1.00 0.00 C ATOM 866 CD GLU A 52 3.867 -7.831 8.416 1.00 0.00 C ATOM 867 OE1 GLU A 52 4.881 -8.562 8.392 1.00 0.00 O ATOM 868 OE2 GLU A 52 3.379 -7.417 9.491 1.00 0.00 O ATOM 0 H GLU A 52 3.757 -8.601 4.369 1.00 0.00 H new ATOM 0 HA GLU A 52 3.794 -10.110 6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.835 -8.151 5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.627 -8.883 7.193 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.980 -7.124 6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.568 -6.566 7.272 1.00 0.00 H new ATOM 875 N GLY A 53 1.977 -10.979 4.291 1.00 0.00 N ATOM 876 CA GLY A 53 1.290 -12.136 3.730 1.00 0.00 C ATOM 877 C GLY A 53 -0.142 -11.880 3.270 1.00 0.00 C ATOM 878 O GLY A 53 -0.736 -12.755 2.631 1.00 0.00 O ATOM 0 H GLY A 53 2.190 -10.244 3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.867 -12.505 2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.278 -12.929 4.477 1.00 0.00 H new ATOM 882 N GLY A 54 -0.716 -10.722 3.600 1.00 0.00 N ATOM 883 CA GLY A 54 -2.057 -10.400 3.114 1.00 0.00 C ATOM 884 C GLY A 54 -2.682 -9.201 3.808 1.00 0.00 C ATOM 885 O GLY A 54 -2.579 -9.073 5.029 1.00 0.00 O ATOM 0 H GLY A 54 -0.286 -10.008 4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.009 -10.205 2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.703 -11.267 3.252 1.00 0.00 H new ATOM 889 N TYR A 55 -3.345 -8.338 3.033 1.00 0.00 N ATOM 890 CA TYR A 55 -4.041 -7.158 3.562 1.00 0.00 C ATOM 891 C TYR A 55 -4.988 -7.523 4.706 1.00 0.00 C ATOM 892 O TYR A 55 -4.842 -7.027 5.828 1.00 0.00 O ATOM 893 CB TYR A 55 -4.825 -6.466 2.434 1.00 0.00 C ATOM 894 CG TYR A 55 -5.794 -5.388 2.899 1.00 0.00 C ATOM 895 CD1 TYR A 55 -5.335 -4.194 3.440 1.00 0.00 C ATOM 896 CD2 TYR A 55 -7.168 -5.566 2.790 1.00 0.00 C ATOM 897 CE1 TYR A 55 -6.214 -3.212 3.857 1.00 0.00 C ATOM 898 CE2 TYR A 55 -8.054 -4.588 3.204 1.00 0.00 C ATOM 899 CZ TYR A 55 -7.572 -3.414 3.737 1.00 0.00 C ATOM 900 OH TYR A 55 -8.455 -2.441 4.157 1.00 0.00 O ATOM 0 H TYR A 55 -3.415 -8.436 2.020 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.288 -6.477 3.959 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.115 -6.021 1.737 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.382 -7.222 1.881 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.272 -4.030 3.537 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.551 -6.486 2.374 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.838 -2.290 4.275 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.118 -4.745 3.110 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.374 -2.743 4.000 1.00 0.00 H new ATOM 910 N GLU A 56 -5.951 -8.393 4.415 1.00 0.00 N ATOM 911 CA GLU A 56 -6.982 -8.763 5.382 1.00 0.00 C ATOM 912 C GLU A 56 -6.359 -9.389 6.626 1.00 0.00 C ATOM 913 O GLU A 56 -6.857 -9.211 7.741 1.00 0.00 O ATOM 914 CB GLU A 56 -8.009 -9.724 4.759 1.00 0.00 C ATOM 915 CG GLU A 56 -8.689 -9.175 3.500 1.00 0.00 C ATOM 916 CD GLU A 56 -8.034 -9.642 2.200 1.00 0.00 C ATOM 917 OE1 GLU A 56 -6.787 -9.742 2.157 1.00 0.00 O ATOM 918 OE2 GLU A 56 -8.766 -9.932 1.231 1.00 0.00 O ATOM 0 H GLU A 56 -6.039 -8.858 3.511 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.503 -7.851 5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.511 -10.662 4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.773 -9.955 5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.736 -9.479 3.500 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.674 -8.086 3.534 1.00 0.00 H new ATOM 925 N ALA A 57 -5.255 -10.103 6.432 1.00 0.00 N ATOM 926 CA ALA A 57 -4.528 -10.694 7.545 1.00 0.00 C ATOM 927 C ALA A 57 -3.983 -9.592 8.444 1.00 0.00 C ATOM 928 O ALA A 57 -4.240 -9.577 9.646 1.00 0.00 O ATOM 929 CB ALA A 57 -3.406 -11.597 7.042 1.00 0.00 C ATOM 0 H ALA A 57 -4.846 -10.285 5.515 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.211 -11.313 8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.877 -12.027 7.892 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.828 -12.397 6.434 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.711 -11.012 6.440 1.00 0.00 H new ATOM 935 N ILE A 58 -3.273 -8.644 7.840 1.00 0.00 N ATOM 936 CA ILE A 58 -2.724 -7.504 8.570 1.00 0.00 C ATOM 937 C ILE A 58 -3.851 -6.717 9.233 1.00 0.00 C ATOM 938 O ILE A 58 -3.674 -6.133 10.304 1.00 0.00 O ATOM 939 CB ILE A 58 -1.949 -6.548 7.630 1.00 0.00 C ATOM 940 CG1 ILE A 58 -0.912 -7.312 6.803 1.00 0.00 C ATOM 941 CG2 ILE A 58 -1.268 -5.441 8.428 1.00 0.00 C ATOM 942 CD1 ILE A 58 -0.244 -6.461 5.745 1.00 0.00 C ATOM 0 H ILE A 58 -3.063 -8.642 6.842 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.039 -7.898 9.321 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.670 -6.097 6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.150 -7.714 7.471 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.396 -8.163 6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.729 -4.781 7.748 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.020 -4.868 8.970 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.567 -5.882 9.137 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.479 -7.064 5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.997 -6.080 5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.268 -5.625 6.221 1.00 0.00 H new ATOM 954 N CYS A 59 -5.010 -6.718 8.580 1.00 0.00 N ATOM 955 CA CYS A 59 -6.162 -5.962 9.044 1.00 0.00 C ATOM 956 C CYS A 59 -6.716 -6.556 10.336 1.00 0.00 C ATOM 957 O CYS A 59 -6.855 -5.854 11.339 1.00 0.00 O ATOM 958 CB CYS A 59 -7.247 -5.924 7.951 1.00 0.00 C ATOM 959 SG CYS A 59 -8.665 -4.874 8.345 1.00 0.00 S ATOM 0 H CYS A 59 -5.173 -7.241 7.720 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.844 -4.941 9.254 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.798 -5.574 7.022 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.601 -6.939 7.771 1.00 0.00 H new ATOM 0 HG CYS A 59 -9.517 -4.909 7.364 1.00 0.00 H new ATOM 965 N LYS A 60 -7.000 -7.856 10.324 1.00 0.00 N ATOM 966 CA LYS A 60 -7.584 -8.512 11.492 1.00 0.00 C ATOM 967 C LYS A 60 -6.532 -8.778 12.564 1.00 0.00 C ATOM 968 O LYS A 60 -6.854 -8.869 13.748 1.00 0.00 O ATOM 969 CB LYS A 60 -8.299 -9.807 11.087 1.00 0.00 C ATOM 970 CG LYS A 60 -9.653 -9.571 10.422 1.00 0.00 C ATOM 971 CD LYS A 60 -10.594 -8.787 11.340 1.00 0.00 C ATOM 972 CE LYS A 60 -11.962 -8.561 10.709 1.00 0.00 C ATOM 973 NZ LYS A 60 -12.670 -9.839 10.448 1.00 0.00 N ATOM 0 H LYS A 60 -6.837 -8.471 9.527 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.324 -7.835 11.920 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.660 -10.367 10.404 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.441 -10.427 11.972 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.512 -9.024 9.489 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.106 -10.528 10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.714 -9.327 12.279 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.144 -7.824 11.581 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.567 -7.939 11.368 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.844 -8.014 9.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.672 -9.646 10.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.237 -10.315 9.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.598 -10.453 11.284 1.00 0.00 H new ATOM 987 N ASP A 61 -5.275 -8.900 12.151 1.00 0.00 N ATOM 988 CA ASP A 61 -4.176 -9.053 13.103 1.00 0.00 C ATOM 989 C ASP A 61 -3.686 -7.686 13.573 1.00 0.00 C ATOM 990 O ASP A 61 -2.849 -7.598 14.473 1.00 0.00 O ATOM 991 CB ASP A 61 -3.015 -9.857 12.496 1.00 0.00 C ATOM 992 CG ASP A 61 -3.333 -11.340 12.352 1.00 0.00 C ATOM 993 OD1 ASP A 61 -3.429 -12.035 13.387 1.00 0.00 O ATOM 994 OD2 ASP A 61 -3.481 -11.823 11.210 1.00 0.00 O ATOM 0 H ASP A 61 -4.991 -8.896 11.171 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.554 -9.608 13.962 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.768 -9.447 11.517 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.131 -9.739 13.123 1.00 0.00 H new ATOM 999 N ARG A 62 -4.193 -6.621 12.935 1.00 0.00 N ATOM 1000 CA ARG A 62 -3.916 -5.248 13.366 1.00 0.00 C ATOM 1001 C ARG A 62 -2.409 -4.962 13.292 1.00 0.00 C ATOM 1002 O ARG A 62 -1.857 -4.182 14.072 1.00 0.00 O ATOM 1003 CB ARG A 62 -4.482 -5.037 14.785 1.00 0.00 C ATOM 1004 CG ARG A 62 -4.347 -3.617 15.334 1.00 0.00 C ATOM 1005 CD ARG A 62 -5.111 -3.447 16.644 1.00 0.00 C ATOM 1006 NE ARG A 62 -4.824 -4.525 17.597 1.00 0.00 N ATOM 1007 CZ ARG A 62 -5.340 -4.604 18.825 1.00 0.00 C ATOM 1008 NH1 ARG A 62 -6.132 -3.640 19.284 1.00 0.00 N ATOM 1009 NH2 ARG A 62 -5.055 -5.647 19.589 1.00 0.00 N ATOM 0 H ARG A 62 -4.798 -6.687 12.117 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.407 -4.539 12.699 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.537 -5.310 14.782 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.977 -5.722 15.466 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.294 -3.387 15.494 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.721 -2.905 14.599 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.850 -2.489 17.093 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.181 -3.422 16.438 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.187 -5.264 17.301 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.348 -2.835 18.697 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.524 -3.706 20.224 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.444 -6.384 19.238 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.446 -5.713 20.529 1.00 0.00 H new ATOM 1023 N ARG A 63 -1.753 -5.574 12.310 1.00 0.00 N ATOM 1024 CA ARG A 63 -0.302 -5.462 12.161 1.00 0.00 C ATOM 1025 C ARG A 63 0.086 -4.113 11.545 1.00 0.00 C ATOM 1026 O ARG A 63 1.267 -3.799 11.425 1.00 0.00 O ATOM 1027 CB ARG A 63 0.233 -6.633 11.317 1.00 0.00 C ATOM 1028 CG ARG A 63 0.024 -7.998 11.975 1.00 0.00 C ATOM 1029 CD ARG A 63 0.164 -9.157 10.988 1.00 0.00 C ATOM 1030 NE ARG A 63 1.528 -9.317 10.475 1.00 0.00 N ATOM 1031 CZ ARG A 63 2.020 -10.476 10.024 1.00 0.00 C ATOM 1032 NH1 ARG A 63 1.267 -11.568 10.037 1.00 0.00 N ATOM 1033 NH2 ARG A 63 3.259 -10.543 9.554 1.00 0.00 N ATOM 0 H ARG A 63 -2.203 -6.155 11.603 1.00 0.00 H new ATOM 0 HA ARG A 63 0.154 -5.512 13.150 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.260 -6.627 10.345 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.297 -6.484 11.135 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.748 -8.123 12.781 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.967 -8.030 12.429 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.144 -10.081 11.477 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.516 -8.997 10.151 1.00 0.00 H new ATOM 0 HE ARG A 63 2.136 -8.498 10.461 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.311 -11.524 10.391 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.644 -12.451 9.693 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.843 -9.707 9.535 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.627 -11.430 9.212 1.00 0.00 H new ATOM 1047 N TRP A 64 -0.913 -3.305 11.179 1.00 0.00 N ATOM 1048 CA TRP A 64 -0.658 -1.962 10.651 1.00 0.00 C ATOM 1049 C TRP A 64 0.092 -1.118 11.683 1.00 0.00 C ATOM 1050 O TRP A 64 0.755 -0.138 11.341 1.00 0.00 O ATOM 1051 CB TRP A 64 -1.966 -1.257 10.266 1.00 0.00 C ATOM 1052 CG TRP A 64 -2.768 -1.975 9.218 1.00 0.00 C ATOM 1053 CD1 TRP A 64 -4.044 -2.446 9.348 1.00 0.00 C ATOM 1054 CD2 TRP A 64 -2.353 -2.305 7.881 1.00 0.00 C ATOM 1055 NE1 TRP A 64 -4.451 -3.037 8.179 1.00 0.00 N ATOM 1056 CE2 TRP A 64 -3.434 -2.964 7.265 1.00 0.00 C ATOM 1057 CE3 TRP A 64 -1.178 -2.106 7.139 1.00 0.00 C ATOM 1058 CZ2 TRP A 64 -3.377 -3.423 5.956 1.00 0.00 C ATOM 1059 CZ3 TRP A 64 -1.128 -2.566 5.838 1.00 0.00 C ATOM 1060 CH2 TRP A 64 -2.220 -3.215 5.257 1.00 0.00 C ATOM 0 H TRP A 64 -1.900 -3.555 11.238 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.046 -2.070 9.755 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -2.579 -1.140 11.160 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.733 -0.255 9.906 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -4.645 -2.365 10.242 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -5.364 -3.462 8.017 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -0.329 -1.603 7.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.218 -3.928 5.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.228 -2.421 5.259 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.149 -3.559 4.236 1.00 0.00 H new ATOM 1071 N ALA A 65 -0.021 -1.506 12.947 1.00 0.00 N ATOM 1072 CA ALA A 65 0.694 -0.834 14.021 1.00 0.00 C ATOM 1073 C ALA A 65 2.202 -0.872 13.763 1.00 0.00 C ATOM 1074 O ALA A 65 2.877 0.167 13.760 1.00 0.00 O ATOM 1075 CB ALA A 65 0.358 -1.481 15.361 1.00 0.00 C ATOM 0 H ALA A 65 -0.603 -2.286 13.253 1.00 0.00 H new ATOM 0 HA ALA A 65 0.381 0.209 14.054 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.899 -0.970 16.158 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.714 -1.405 15.543 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.649 -2.531 15.341 1.00 0.00 H new ATOM 1081 N ARG A 66 2.719 -2.073 13.508 1.00 0.00 N ATOM 1082 CA ARG A 66 4.152 -2.260 13.312 1.00 0.00 C ATOM 1083 C ARG A 66 4.603 -1.676 11.975 1.00 0.00 C ATOM 1084 O ARG A 66 5.746 -1.245 11.849 1.00 0.00 O ATOM 1085 CB ARG A 66 4.538 -3.747 13.414 1.00 0.00 C ATOM 1086 CG ARG A 66 3.979 -4.625 12.300 1.00 0.00 C ATOM 1087 CD ARG A 66 4.329 -6.094 12.505 1.00 0.00 C ATOM 1088 NE ARG A 66 5.772 -6.301 12.640 1.00 0.00 N ATOM 1089 CZ ARG A 66 6.538 -6.890 11.722 1.00 0.00 C ATOM 1090 NH1 ARG A 66 6.013 -7.310 10.576 1.00 0.00 N ATOM 1091 NH2 ARG A 66 7.833 -7.047 11.954 1.00 0.00 N ATOM 0 H ARG A 66 2.167 -2.928 13.433 1.00 0.00 H new ATOM 0 HA ARG A 66 4.667 -1.723 14.108 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.625 -3.828 13.412 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.192 -4.134 14.372 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.896 -4.512 12.258 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.372 -4.289 11.341 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.825 -6.466 13.397 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.957 -6.676 11.662 1.00 0.00 H new ATOM 0 HE ARG A 66 6.222 -5.972 13.494 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.017 -7.183 10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.605 -7.760 9.878 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.238 -6.718 12.831 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.425 -7.497 11.256 1.00 0.00 H new ATOM 1105 N VAL A 67 3.708 -1.645 10.981 1.00 0.00 N ATOM 1106 CA VAL A 67 4.058 -1.077 9.676 1.00 0.00 C ATOM 1107 C VAL A 67 4.230 0.439 9.806 1.00 0.00 C ATOM 1108 O VAL A 67 5.163 1.019 9.252 1.00 0.00 O ATOM 1109 CB VAL A 67 3.018 -1.411 8.558 1.00 0.00 C ATOM 1110 CG1 VAL A 67 2.577 -2.870 8.638 1.00 0.00 C ATOM 1111 CG2 VAL A 67 1.816 -0.470 8.586 1.00 0.00 C ATOM 0 H VAL A 67 2.754 -1.999 11.053 1.00 0.00 H new ATOM 0 HA VAL A 67 4.996 -1.538 9.368 1.00 0.00 H new ATOM 0 HB VAL A 67 3.518 -1.258 7.602 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.854 -3.075 7.849 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.444 -3.519 8.514 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.118 -3.059 9.609 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.122 -0.742 7.791 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.313 -0.551 9.550 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.153 0.556 8.438 1.00 0.00 H new ATOM 1121 N ALA A 68 3.340 1.069 10.577 1.00 0.00 N ATOM 1122 CA ALA A 68 3.415 2.506 10.815 1.00 0.00 C ATOM 1123 C ALA A 68 4.676 2.839 11.607 1.00 0.00 C ATOM 1124 O ALA A 68 5.379 3.807 11.306 1.00 0.00 O ATOM 1125 CB ALA A 68 2.167 2.999 11.545 1.00 0.00 C ATOM 0 H ALA A 68 2.562 0.604 11.045 1.00 0.00 H new ATOM 0 HA ALA A 68 3.463 3.018 9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.244 4.073 11.712 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.285 2.788 10.941 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.081 2.488 12.504 1.00 0.00 H new ATOM 1131 N GLN A 69 4.965 2.015 12.613 1.00 0.00 N ATOM 1132 CA GLN A 69 6.181 2.169 13.408 1.00 0.00 C ATOM 1133 C GLN A 69 7.407 2.007 12.503 1.00 0.00 C ATOM 1134 O GLN A 69 8.363 2.784 12.582 1.00 0.00 O ATOM 1135 CB GLN A 69 6.193 1.137 14.554 1.00 0.00 C ATOM 1136 CG GLN A 69 7.246 1.391 15.639 1.00 0.00 C ATOM 1137 CD GLN A 69 8.665 1.054 15.206 1.00 0.00 C ATOM 1138 OE1 GLN A 69 8.888 0.136 14.414 1.00 0.00 O ATOM 1139 NE2 GLN A 69 9.632 1.788 15.726 1.00 0.00 N ATOM 0 H GLN A 69 4.373 1.234 12.896 1.00 0.00 H new ATOM 0 HA GLN A 69 6.209 3.165 13.851 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.208 1.122 15.020 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.360 0.147 14.130 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.205 2.440 15.934 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.995 0.802 16.521 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.407 2.539 16.378 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.603 1.604 15.475 1.00 0.00 H new ATOM 1148 N ARG A 70 7.341 1.010 11.623 1.00 0.00 N ATOM 1149 CA ARG A 70 8.426 0.685 10.694 1.00 0.00 C ATOM 1150 C ARG A 70 8.689 1.867 9.755 1.00 0.00 C ATOM 1151 O ARG A 70 9.838 2.180 9.439 1.00 0.00 O ATOM 1152 CB ARG A 70 8.042 -0.585 9.904 1.00 0.00 C ATOM 1153 CG ARG A 70 9.209 -1.400 9.333 1.00 0.00 C ATOM 1154 CD ARG A 70 9.757 -0.834 8.023 1.00 0.00 C ATOM 1155 NE ARG A 70 10.906 0.052 8.222 1.00 0.00 N ATOM 1156 CZ ARG A 70 11.803 0.334 7.273 1.00 0.00 C ATOM 1157 NH1 ARG A 70 11.710 -0.235 6.076 1.00 0.00 N ATOM 1158 NH2 ARG A 70 12.807 1.162 7.530 1.00 0.00 N ATOM 0 H ARG A 70 6.529 0.400 11.532 1.00 0.00 H new ATOM 0 HA ARG A 70 9.346 0.493 11.246 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.458 -1.233 10.558 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.391 -0.293 9.080 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.012 -1.437 10.069 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.880 -2.426 9.168 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.048 -1.657 7.371 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.966 -0.286 7.511 1.00 0.00 H new ATOM 0 HE ARG A 70 11.029 0.479 9.140 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.952 -0.889 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.396 -0.018 5.353 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.895 1.585 8.454 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.491 1.376 6.804 1.00 0.00 H new ATOM 1172 N LEU A 71 7.615 2.537 9.337 1.00 0.00 N ATOM 1173 CA LEU A 71 7.710 3.717 8.469 1.00 0.00 C ATOM 1174 C LEU A 71 8.101 4.972 9.264 1.00 0.00 C ATOM 1175 O LEU A 71 8.005 6.093 8.754 1.00 0.00 O ATOM 1176 CB LEU A 71 6.392 3.941 7.706 1.00 0.00 C ATOM 1177 CG LEU A 71 6.267 3.192 6.363 1.00 0.00 C ATOM 1178 CD1 LEU A 71 6.434 1.686 6.545 1.00 0.00 C ATOM 1179 CD2 LEU A 71 4.933 3.507 5.692 1.00 0.00 C ATOM 0 H LEU A 71 6.660 2.282 9.587 1.00 0.00 H new ATOM 0 HA LEU A 71 8.500 3.529 7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.565 3.640 8.349 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.278 5.009 7.519 1.00 0.00 H new ATOM 0 HG LEU A 71 7.072 3.539 5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.340 1.190 5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.418 1.477 6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.664 1.314 7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.865 2.969 4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.116 3.199 6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.864 4.579 5.505 1.00 0.00 H new ATOM 1191 N ASN A 72 8.520 4.774 10.514 1.00 0.00 N ATOM 1192 CA ASN A 72 9.086 5.844 11.348 1.00 0.00 C ATOM 1193 C ASN A 72 8.027 6.851 11.794 1.00 0.00 C ATOM 1194 O ASN A 72 8.362 7.969 12.191 1.00 0.00 O ATOM 1195 CB ASN A 72 10.229 6.579 10.620 1.00 0.00 C ATOM 1196 CG ASN A 72 11.411 5.679 10.302 1.00 0.00 C ATOM 1197 OD1 ASN A 72 12.311 5.500 11.126 1.00 0.00 O ATOM 1198 ND2 ASN A 72 11.431 5.122 9.099 1.00 0.00 N ATOM 0 H ASN A 72 8.478 3.868 10.981 1.00 0.00 H new ATOM 0 HA ASN A 72 9.487 5.359 12.238 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.846 7.006 9.693 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.569 7.410 11.237 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.210 4.522 8.828 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.668 5.294 8.445 1.00 0.00 H new ATOM 1205 N TYR A 73 6.759 6.455 11.765 1.00 0.00 N ATOM 1206 CA TYR A 73 5.684 7.333 12.225 1.00 0.00 C ATOM 1207 C TYR A 73 5.693 7.431 13.756 1.00 0.00 C ATOM 1208 O TYR A 73 6.028 6.459 14.439 1.00 0.00 O ATOM 1209 CB TYR A 73 4.324 6.843 11.706 1.00 0.00 C ATOM 1210 CG TYR A 73 4.191 6.940 10.194 1.00 0.00 C ATOM 1211 CD1 TYR A 73 4.529 8.114 9.525 1.00 0.00 C ATOM 1212 CD2 TYR A 73 3.729 5.869 9.438 1.00 0.00 C ATOM 1213 CE1 TYR A 73 4.412 8.214 8.152 1.00 0.00 C ATOM 1214 CE2 TYR A 73 3.609 5.963 8.064 1.00 0.00 C ATOM 1215 CZ TYR A 73 3.951 7.136 7.426 1.00 0.00 C ATOM 1216 OH TYR A 73 3.837 7.230 6.057 1.00 0.00 O ATOM 0 H TYR A 73 6.450 5.542 11.432 1.00 0.00 H new ATOM 0 HA TYR A 73 5.853 8.332 11.822 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.177 5.807 12.012 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.532 7.428 12.173 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.889 8.961 10.090 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.459 4.948 9.933 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.680 9.132 7.650 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.249 5.120 7.493 1.00 0.00 H new ATOM 0 HH TYR A 73 3.499 6.383 5.698 1.00 0.00 H new ATOM 1226 N PRO A 74 5.346 8.614 14.306 1.00 0.00 N ATOM 1227 CA PRO A 74 5.434 8.891 15.753 1.00 0.00 C ATOM 1228 C PRO A 74 4.509 8.004 16.599 1.00 0.00 C ATOM 1229 O PRO A 74 3.569 7.391 16.078 1.00 0.00 O ATOM 1230 CB PRO A 74 5.022 10.371 15.858 1.00 0.00 C ATOM 1231 CG PRO A 74 4.218 10.632 14.629 1.00 0.00 C ATOM 1232 CD PRO A 74 4.837 9.781 13.556 1.00 0.00 C ATOM 0 HA PRO A 74 6.431 8.681 16.140 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.438 10.556 16.759 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.895 11.022 15.905 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.171 10.370 14.782 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.247 11.687 14.358 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.106 9.488 12.802 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.638 10.307 13.036 1.00 0.00 H new ATOM 1240 N PRO A 75 4.782 7.922 17.925 1.00 0.00 N ATOM 1241 CA PRO A 75 3.959 7.151 18.868 1.00 0.00 C ATOM 1242 C PRO A 75 2.465 7.456 18.731 1.00 0.00 C ATOM 1243 O PRO A 75 2.070 8.602 18.493 1.00 0.00 O ATOM 1244 CB PRO A 75 4.479 7.598 20.240 1.00 0.00 C ATOM 1245 CG PRO A 75 5.900 7.975 19.992 1.00 0.00 C ATOM 1246 CD PRO A 75 5.932 8.565 18.605 1.00 0.00 C ATOM 0 HA PRO A 75 4.040 6.078 18.695 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.906 8.441 20.627 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.403 6.796 20.975 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.248 8.696 20.732 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.553 7.105 20.062 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.828 9.650 18.628 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.871 8.346 18.098 1.00 0.00 H new ATOM 1254 N GLY A 76 1.646 6.426 18.892 1.00 0.00 N ATOM 1255 CA GLY A 76 0.213 6.550 18.691 1.00 0.00 C ATOM 1256 C GLY A 76 -0.232 5.714 17.513 1.00 0.00 C ATOM 1257 O GLY A 76 -1.287 5.080 17.550 1.00 0.00 O ATOM 0 H GLY A 76 1.953 5.492 19.163 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.315 6.232 19.590 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.047 7.595 18.522 1.00 0.00 H new ATOM 1261 N LYS A 77 0.592 5.729 16.460 1.00 0.00 N ATOM 1262 CA LYS A 77 0.403 4.878 15.284 1.00 0.00 C ATOM 1263 C LYS A 77 -0.948 5.115 14.600 1.00 0.00 C ATOM 1264 O LYS A 77 -1.369 4.320 13.758 1.00 0.00 O ATOM 1265 CB LYS A 77 0.550 3.396 15.671 1.00 0.00 C ATOM 1266 CG LYS A 77 1.920 3.037 16.252 1.00 0.00 C ATOM 1267 CD LYS A 77 2.014 1.550 16.584 1.00 0.00 C ATOM 1268 CE LYS A 77 3.402 1.151 17.078 1.00 0.00 C ATOM 1269 NZ LYS A 77 3.710 1.721 18.415 1.00 0.00 N ATOM 0 H LYS A 77 1.411 6.334 16.401 1.00 0.00 H new ATOM 0 HA LYS A 77 1.178 5.146 14.566 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.220 3.143 16.400 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.368 2.781 14.790 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.700 3.302 15.538 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.100 3.624 17.153 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.275 1.303 17.346 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.765 0.966 15.698 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.470 0.064 17.124 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.151 1.487 16.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.662 1.423 18.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.672 2.759 18.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.012 1.380 19.107 1.00 0.00 H new ATOM 1283 N ASN A 78 -1.607 6.226 14.932 1.00 0.00 N ATOM 1284 CA ASN A 78 -2.918 6.544 14.356 1.00 0.00 C ATOM 1285 C ASN A 78 -2.797 6.794 12.852 1.00 0.00 C ATOM 1286 O ASN A 78 -3.757 6.613 12.099 1.00 0.00 O ATOM 1287 CB ASN A 78 -3.547 7.758 15.055 1.00 0.00 C ATOM 1288 CG ASN A 78 -2.751 9.040 14.873 1.00 0.00 C ATOM 1289 OD1 ASN A 78 -1.527 9.015 14.724 1.00 0.00 O ATOM 1290 ND2 ASN A 78 -3.442 10.170 14.893 1.00 0.00 N ATOM 0 H ASN A 78 -1.258 6.919 15.594 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.573 5.687 14.514 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -4.555 7.908 14.669 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.641 7.546 16.120 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -2.962 11.063 14.783 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.454 10.147 15.019 1.00 0.00 H new ATOM 1297 N ILE A 79 -1.600 7.197 12.422 1.00 0.00 N ATOM 1298 CA ILE A 79 -1.294 7.354 10.999 1.00 0.00 C ATOM 1299 C ILE A 79 -1.521 6.031 10.258 1.00 0.00 C ATOM 1300 O ILE A 79 -1.790 6.017 9.056 1.00 0.00 O ATOM 1301 CB ILE A 79 0.167 7.847 10.789 1.00 0.00 C ATOM 1302 CG1 ILE A 79 0.333 9.270 11.355 1.00 0.00 C ATOM 1303 CG2 ILE A 79 0.565 7.803 9.310 1.00 0.00 C ATOM 1304 CD1 ILE A 79 1.755 9.793 11.302 1.00 0.00 C ATOM 0 H ILE A 79 -0.823 7.422 13.043 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.966 8.109 10.590 1.00 0.00 H new ATOM 0 HB ILE A 79 0.833 7.173 11.328 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.314 9.949 10.799 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.009 9.280 12.390 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.591 8.154 9.199 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.490 6.779 8.943 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.102 8.445 8.734 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.788 10.800 11.719 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.405 9.139 11.882 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.095 9.817 10.267 1.00 0.00 H new ATOM 1316 N GLY A 80 -1.435 4.923 10.994 1.00 0.00 N ATOM 1317 CA GLY A 80 -1.702 3.616 10.419 1.00 0.00 C ATOM 1318 C GLY A 80 -3.122 3.506 9.893 1.00 0.00 C ATOM 1319 O GLY A 80 -3.370 2.843 8.884 1.00 0.00 O ATOM 0 H GLY A 80 -1.184 4.909 11.983 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.999 3.426 9.608 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.534 2.847 11.173 1.00 0.00 H new ATOM 1323 N SER A 81 -4.055 4.171 10.573 1.00 0.00 N ATOM 1324 CA SER A 81 -5.449 4.198 10.141 1.00 0.00 C ATOM 1325 C SER A 81 -5.570 5.022 8.859 1.00 0.00 C ATOM 1326 O SER A 81 -6.285 4.646 7.931 1.00 0.00 O ATOM 1327 CB SER A 81 -6.343 4.783 11.246 1.00 0.00 C ATOM 1328 OG SER A 81 -7.715 4.718 10.891 1.00 0.00 O ATOM 0 H SER A 81 -3.869 4.698 11.426 1.00 0.00 H new ATOM 0 HA SER A 81 -5.782 3.179 9.942 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.180 4.237 12.175 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.063 5.820 11.432 1.00 0.00 H new ATOM 0 HG SER A 81 -8.258 5.096 11.614 1.00 0.00 H new ATOM 1334 N LEU A 82 -4.849 6.142 8.822 1.00 0.00 N ATOM 1335 CA LEU A 82 -4.787 7.000 7.638 1.00 0.00 C ATOM 1336 C LEU A 82 -4.283 6.181 6.445 1.00 0.00 C ATOM 1337 O LEU A 82 -4.855 6.214 5.343 1.00 0.00 O ATOM 1338 CB LEU A 82 -3.859 8.204 7.942 1.00 0.00 C ATOM 1339 CG LEU A 82 -3.721 9.293 6.856 1.00 0.00 C ATOM 1340 CD1 LEU A 82 -2.730 8.879 5.769 1.00 0.00 C ATOM 1341 CD2 LEU A 82 -5.084 9.636 6.253 1.00 0.00 C ATOM 0 H LEU A 82 -4.293 6.480 9.608 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.775 7.384 7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.217 8.682 8.854 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.863 7.815 8.156 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.325 10.189 7.335 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.658 9.669 5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.750 8.711 6.215 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.074 7.960 5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.961 10.405 5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.517 8.743 5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.746 10.004 7.037 1.00 0.00 H new ATOM 1353 N LEU A 83 -3.218 5.429 6.695 1.00 0.00 N ATOM 1354 CA LEU A 83 -2.623 4.545 5.702 1.00 0.00 C ATOM 1355 C LEU A 83 -3.645 3.510 5.228 1.00 0.00 C ATOM 1356 O LEU A 83 -3.856 3.333 4.026 1.00 0.00 O ATOM 1357 CB LEU A 83 -1.396 3.850 6.313 1.00 0.00 C ATOM 1358 CG LEU A 83 -0.665 2.856 5.397 1.00 0.00 C ATOM 1359 CD1 LEU A 83 -0.123 3.555 4.154 1.00 0.00 C ATOM 1360 CD2 LEU A 83 0.459 2.155 6.157 1.00 0.00 C ATOM 0 H LEU A 83 -2.741 5.416 7.597 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.311 5.131 4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.686 4.616 6.626 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.712 3.321 7.212 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.383 2.103 5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.390 2.829 3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.948 4.000 3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.577 4.336 4.452 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.966 1.455 5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.173 2.896 6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.042 1.613 7.005 1.00 0.00 H new ATOM 1372 N ARG A 84 -4.289 2.850 6.188 1.00 0.00 N ATOM 1373 CA ARG A 84 -5.292 1.822 5.907 1.00 0.00 C ATOM 1374 C ARG A 84 -6.415 2.399 5.036 1.00 0.00 C ATOM 1375 O ARG A 84 -6.784 1.818 4.014 1.00 0.00 O ATOM 1376 CB ARG A 84 -5.866 1.285 7.236 1.00 0.00 C ATOM 1377 CG ARG A 84 -6.432 -0.141 7.181 1.00 0.00 C ATOM 1378 CD ARG A 84 -7.583 -0.296 6.188 1.00 0.00 C ATOM 1379 NE ARG A 84 -8.667 0.666 6.423 1.00 0.00 N ATOM 1380 CZ ARG A 84 -9.814 0.684 5.736 1.00 0.00 C ATOM 1381 NH1 ARG A 84 -10.048 -0.229 4.797 1.00 0.00 N ATOM 1382 NH2 ARG A 84 -10.729 1.616 5.986 1.00 0.00 N ATOM 0 H ARG A 84 -4.131 3.012 7.183 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.823 1.002 5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.080 1.317 7.991 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.656 1.958 7.569 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.633 -0.832 6.911 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.778 -0.426 8.175 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.203 -0.168 5.174 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.981 -1.309 6.254 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.537 1.364 7.156 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.351 -0.947 4.599 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.924 -0.211 4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.557 2.320 6.704 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.603 1.627 5.460 1.00 0.00 H new ATOM 1396 N SER A 85 -6.945 3.547 5.448 1.00 0.00 N ATOM 1397 CA SER A 85 -8.041 4.197 4.739 1.00 0.00 C ATOM 1398 C SER A 85 -7.648 4.509 3.292 1.00 0.00 C ATOM 1399 O SER A 85 -8.447 4.340 2.369 1.00 0.00 O ATOM 1400 CB SER A 85 -8.452 5.473 5.483 1.00 0.00 C ATOM 1401 OG SER A 85 -8.816 5.176 6.822 1.00 0.00 O ATOM 0 H SER A 85 -6.629 4.050 6.277 1.00 0.00 H new ATOM 0 HA SER A 85 -8.893 3.518 4.708 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.628 6.187 5.474 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.289 5.946 4.969 1.00 0.00 H new ATOM 0 HG SER A 85 -8.009 4.996 7.348 1.00 0.00 H new ATOM 1407 N HIS A 86 -6.405 4.948 3.092 1.00 0.00 N ATOM 1408 CA HIS A 86 -5.905 5.208 1.741 1.00 0.00 C ATOM 1409 C HIS A 86 -5.695 3.899 0.983 1.00 0.00 C ATOM 1410 O HIS A 86 -5.884 3.840 -0.237 1.00 0.00 O ATOM 1411 CB HIS A 86 -4.601 6.019 1.780 1.00 0.00 C ATOM 1412 CG HIS A 86 -4.772 7.436 2.246 1.00 0.00 C ATOM 1413 ND1 HIS A 86 -5.989 8.088 2.272 1.00 0.00 N ATOM 1414 CD2 HIS A 86 -3.862 8.335 2.692 1.00 0.00 C ATOM 1415 CE1 HIS A 86 -5.817 9.323 2.709 1.00 0.00 C ATOM 1416 NE2 HIS A 86 -4.536 9.495 2.969 1.00 0.00 N ATOM 0 H HIS A 86 -5.733 5.129 3.838 1.00 0.00 H new ATOM 0 HA HIS A 86 -6.656 5.798 1.215 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.892 5.515 2.437 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.161 6.027 0.783 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.801 8.168 2.808 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -6.593 10.064 2.832 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -4.114 10.355 3.320 1.00 0.00 H new ATOM 1425 N TYR A 87 -5.317 2.850 1.713 1.00 0.00 N ATOM 1426 CA TYR A 87 -5.130 1.527 1.126 1.00 0.00 C ATOM 1427 C TYR A 87 -6.434 1.066 0.485 1.00 0.00 C ATOM 1428 O TYR A 87 -6.456 0.646 -0.672 1.00 0.00 O ATOM 1429 CB TYR A 87 -4.684 0.518 2.203 1.00 0.00 C ATOM 1430 CG TYR A 87 -4.202 -0.820 1.657 1.00 0.00 C ATOM 1431 CD1 TYR A 87 -5.062 -1.678 0.974 1.00 0.00 C ATOM 1432 CD2 TYR A 87 -2.879 -1.220 1.816 1.00 0.00 C ATOM 1433 CE1 TYR A 87 -4.617 -2.887 0.471 1.00 0.00 C ATOM 1434 CE2 TYR A 87 -2.428 -2.425 1.312 1.00 0.00 C ATOM 1435 CZ TYR A 87 -3.300 -3.256 0.643 1.00 0.00 C ATOM 1436 OH TYR A 87 -2.854 -4.449 0.126 1.00 0.00 O ATOM 0 H TYR A 87 -5.134 2.893 2.716 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.353 1.583 0.364 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.883 0.965 2.792 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.517 0.339 2.882 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.095 -1.394 0.835 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.191 -0.576 2.344 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.299 -3.539 -0.054 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.396 -2.714 1.442 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.905 -4.371 -0.106 1.00 0.00 H new ATOM 1446 N GLU A 88 -7.518 1.193 1.246 1.00 0.00 N ATOM 1447 CA GLU A 88 -8.842 0.725 0.838 1.00 0.00 C ATOM 1448 C GLU A 88 -9.237 1.249 -0.544 1.00 0.00 C ATOM 1449 O GLU A 88 -9.973 0.587 -1.280 1.00 0.00 O ATOM 1450 CB GLU A 88 -9.888 1.169 1.870 1.00 0.00 C ATOM 1451 CG GLU A 88 -11.304 0.681 1.572 1.00 0.00 C ATOM 1452 CD GLU A 88 -12.335 1.265 2.522 1.00 0.00 C ATOM 1453 OE1 GLU A 88 -12.415 0.798 3.678 1.00 0.00 O ATOM 1454 OE2 GLU A 88 -13.066 2.198 2.119 1.00 0.00 O ATOM 0 H GLU A 88 -7.503 1.626 2.169 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.803 -0.363 0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.589 0.806 2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.894 2.258 1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.568 0.946 0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.331 -0.407 1.637 1.00 0.00 H new ATOM 1461 N ARG A 89 -8.760 2.441 -0.896 1.00 0.00 N ATOM 1462 CA ARG A 89 -9.175 3.074 -2.142 1.00 0.00 C ATOM 1463 C ARG A 89 -8.159 2.850 -3.261 1.00 0.00 C ATOM 1464 O ARG A 89 -8.517 2.401 -4.350 1.00 0.00 O ATOM 1465 CB ARG A 89 -9.406 4.579 -1.930 1.00 0.00 C ATOM 1466 CG ARG A 89 -10.250 5.224 -3.028 1.00 0.00 C ATOM 1467 CD ARG A 89 -11.640 4.592 -3.104 1.00 0.00 C ATOM 1468 NE ARG A 89 -12.403 4.785 -1.866 1.00 0.00 N ATOM 1469 CZ ARG A 89 -12.668 3.825 -0.972 1.00 0.00 C ATOM 1470 NH1 ARG A 89 -12.244 2.579 -1.162 1.00 0.00 N ATOM 1471 NH2 ARG A 89 -13.368 4.115 0.113 1.00 0.00 N ATOM 0 H ARG A 89 -8.094 2.981 -0.343 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.112 2.607 -2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.896 4.732 -0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.441 5.084 -1.880 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -10.344 6.293 -2.837 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.746 5.115 -3.988 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -12.190 5.026 -3.939 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -11.542 3.525 -3.306 1.00 0.00 H new ATOM 0 HE ARG A 89 -12.758 5.721 -1.672 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.709 2.344 -1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.454 1.858 -0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.703 5.066 0.265 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -13.573 3.387 0.798 1.00 0.00 H new ATOM 1485 N ILE A 90 -6.896 3.157 -2.988 1.00 0.00 N ATOM 1486 CA ILE A 90 -5.862 3.154 -4.025 1.00 0.00 C ATOM 1487 C ILE A 90 -5.129 1.812 -4.101 1.00 0.00 C ATOM 1488 O ILE A 90 -4.919 1.271 -5.186 1.00 0.00 O ATOM 1489 CB ILE A 90 -4.826 4.286 -3.776 1.00 0.00 C ATOM 1490 CG1 ILE A 90 -5.525 5.658 -3.714 1.00 0.00 C ATOM 1491 CG2 ILE A 90 -3.737 4.284 -4.856 1.00 0.00 C ATOM 1492 CD1 ILE A 90 -6.251 6.041 -4.988 1.00 0.00 C ATOM 0 H ILE A 90 -6.560 3.411 -2.059 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.371 3.324 -4.974 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.348 4.098 -2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.238 5.653 -2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.782 6.423 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.026 5.086 -4.657 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.216 3.326 -4.846 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.194 4.438 -5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.716 7.019 -4.862 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.541 6.080 -5.814 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.020 5.299 -5.206 1.00 0.00 H new ATOM 1504 N VAL A 91 -4.761 1.269 -2.946 1.00 0.00 N ATOM 1505 CA VAL A 91 -3.839 0.135 -2.894 1.00 0.00 C ATOM 1506 C VAL A 91 -4.570 -1.211 -2.889 1.00 0.00 C ATOM 1507 O VAL A 91 -3.989 -2.234 -3.247 1.00 0.00 O ATOM 1508 CB VAL A 91 -2.924 0.226 -1.649 1.00 0.00 C ATOM 1509 CG1 VAL A 91 -1.778 -0.784 -1.730 1.00 0.00 C ATOM 1510 CG2 VAL A 91 -2.395 1.648 -1.472 1.00 0.00 C ATOM 0 H VAL A 91 -5.084 1.593 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.234 0.187 -3.799 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.521 -0.025 -0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.152 -0.696 -0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.186 -1.793 -1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.178 -0.583 -2.618 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.754 1.691 -0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.821 1.935 -2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.232 2.334 -1.345 1.00 0.00 H new ATOM 1520 N TYR A 92 -5.842 -1.209 -2.500 1.00 0.00 N ATOM 1521 CA TYR A 92 -6.608 -2.455 -2.381 1.00 0.00 C ATOM 1522 C TYR A 92 -6.633 -3.227 -3.718 1.00 0.00 C ATOM 1523 O TYR A 92 -6.474 -4.446 -3.725 1.00 0.00 O ATOM 1524 CB TYR A 92 -8.036 -2.178 -1.865 1.00 0.00 C ATOM 1525 CG TYR A 92 -8.650 -3.317 -1.055 1.00 0.00 C ATOM 1526 CD1 TYR A 92 -8.015 -4.554 -0.935 1.00 0.00 C ATOM 1527 CD2 TYR A 92 -9.870 -3.150 -0.401 1.00 0.00 C ATOM 1528 CE1 TYR A 92 -8.574 -5.577 -0.194 1.00 0.00 C ATOM 1529 CE2 TYR A 92 -10.431 -4.172 0.343 1.00 0.00 C ATOM 1530 CZ TYR A 92 -9.782 -5.380 0.443 1.00 0.00 C ATOM 1531 OH TYR A 92 -10.339 -6.393 1.188 1.00 0.00 O ATOM 0 H TYR A 92 -6.365 -0.366 -2.262 1.00 0.00 H new ATOM 0 HA TYR A 92 -6.106 -3.087 -1.648 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.018 -1.280 -1.248 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.682 -1.966 -2.717 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.069 -4.714 -1.431 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.387 -2.205 -0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.067 -6.527 -0.114 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.376 -4.022 0.844 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.986 -6.884 0.640 1.00 0.00 H new ATOM 1541 N PRO A 93 -6.834 -2.544 -4.876 1.00 0.00 N ATOM 1542 CA PRO A 93 -6.692 -3.191 -6.190 1.00 0.00 C ATOM 1543 C PRO A 93 -5.307 -3.824 -6.368 1.00 0.00 C ATOM 1544 O PRO A 93 -5.170 -4.899 -6.958 1.00 0.00 O ATOM 1545 CB PRO A 93 -6.895 -2.038 -7.187 1.00 0.00 C ATOM 1546 CG PRO A 93 -7.702 -1.033 -6.440 1.00 0.00 C ATOM 1547 CD PRO A 93 -7.254 -1.130 -5.007 1.00 0.00 C ATOM 0 HA PRO A 93 -7.401 -4.007 -6.325 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.941 -1.620 -7.509 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.414 -2.376 -8.084 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.539 -0.030 -6.834 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.768 -1.242 -6.531 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.433 -0.445 -4.795 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.060 -0.884 -4.316 1.00 0.00 H new ATOM 1555 N TYR A 94 -4.287 -3.154 -5.831 1.00 0.00 N ATOM 1556 CA TYR A 94 -2.905 -3.619 -5.942 1.00 0.00 C ATOM 1557 C TYR A 94 -2.647 -4.823 -5.040 1.00 0.00 C ATOM 1558 O TYR A 94 -1.744 -5.610 -5.309 1.00 0.00 O ATOM 1559 CB TYR A 94 -1.921 -2.484 -5.633 1.00 0.00 C ATOM 1560 CG TYR A 94 -1.731 -1.526 -6.795 1.00 0.00 C ATOM 1561 CD1 TYR A 94 -0.741 -1.757 -7.748 1.00 0.00 C ATOM 1562 CD2 TYR A 94 -2.537 -0.400 -6.951 1.00 0.00 C ATOM 1563 CE1 TYR A 94 -0.563 -0.901 -8.814 1.00 0.00 C ATOM 1564 CE2 TYR A 94 -2.358 0.461 -8.013 1.00 0.00 C ATOM 1565 CZ TYR A 94 -1.371 0.208 -8.940 1.00 0.00 C ATOM 1566 OH TYR A 94 -1.203 1.056 -10.008 1.00 0.00 O ATOM 0 H TYR A 94 -4.394 -2.282 -5.312 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.746 -3.938 -6.972 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.278 -1.928 -4.766 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.956 -2.912 -5.362 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.102 -2.622 -7.650 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.314 -0.199 -6.229 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.206 -1.099 -9.546 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -2.990 1.331 -8.118 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.958 1.947 -9.683 1.00 0.00 H new ATOM 1576 N GLU A 95 -3.432 -4.960 -3.974 1.00 0.00 N ATOM 1577 CA GLU A 95 -3.406 -6.171 -3.151 1.00 0.00 C ATOM 1578 C GLU A 95 -3.678 -7.382 -4.042 1.00 0.00 C ATOM 1579 O GLU A 95 -2.806 -8.235 -4.250 1.00 0.00 O ATOM 1580 CB GLU A 95 -4.457 -6.065 -2.024 1.00 0.00 C ATOM 1581 CG GLU A 95 -4.822 -7.387 -1.340 1.00 0.00 C ATOM 1582 CD GLU A 95 -3.626 -8.122 -0.750 1.00 0.00 C ATOM 1583 OE1 GLU A 95 -3.016 -7.611 0.211 1.00 0.00 O ATOM 1584 OE2 GLU A 95 -3.311 -9.225 -1.239 1.00 0.00 O ATOM 0 H GLU A 95 -4.093 -4.250 -3.659 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.427 -6.286 -2.687 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.085 -5.374 -1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.365 -5.626 -2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.543 -7.188 -0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.315 -8.036 -2.064 1.00 0.00 H new ATOM 1591 N MET A 96 -4.873 -7.406 -4.620 1.00 0.00 N ATOM 1592 CA MET A 96 -5.292 -8.491 -5.497 1.00 0.00 C ATOM 1593 C MET A 96 -4.361 -8.605 -6.708 1.00 0.00 C ATOM 1594 O MET A 96 -4.095 -9.702 -7.190 1.00 0.00 O ATOM 1595 CB MET A 96 -6.743 -8.269 -5.955 1.00 0.00 C ATOM 1596 CG MET A 96 -7.292 -9.373 -6.853 1.00 0.00 C ATOM 1597 SD MET A 96 -9.006 -9.085 -7.344 1.00 0.00 S ATOM 1598 CE MET A 96 -9.838 -9.109 -5.756 1.00 0.00 C ATOM 0 H MET A 96 -5.576 -6.677 -4.494 1.00 0.00 H new ATOM 0 HA MET A 96 -5.237 -9.426 -4.939 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.380 -8.181 -5.075 1.00 0.00 H new ATOM 0 HB3 MET A 96 -6.803 -7.320 -6.488 1.00 0.00 H new ATOM 0 HG2 MET A 96 -6.671 -9.452 -7.745 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.223 -10.328 -6.331 1.00 0.00 H new ATOM 0 HE1 MET A 96 -10.851 -9.490 -5.882 1.00 0.00 H new ATOM 0 HE2 MET A 96 -9.291 -9.754 -5.068 1.00 0.00 H new ATOM 0 HE3 MET A 96 -9.878 -8.098 -5.351 1.00 0.00 H new ATOM 1608 N TYR A 97 -3.864 -7.464 -7.188 1.00 0.00 N ATOM 1609 CA TYR A 97 -2.977 -7.437 -8.352 1.00 0.00 C ATOM 1610 C TYR A 97 -1.630 -8.100 -8.045 1.00 0.00 C ATOM 1611 O TYR A 97 -1.286 -9.129 -8.637 1.00 0.00 O ATOM 1612 CB TYR A 97 -2.764 -5.989 -8.824 1.00 0.00 C ATOM 1613 CG TYR A 97 -1.794 -5.850 -9.986 1.00 0.00 C ATOM 1614 CD1 TYR A 97 -2.013 -6.520 -11.186 1.00 0.00 C ATOM 1615 CD2 TYR A 97 -0.658 -5.051 -9.882 1.00 0.00 C ATOM 1616 CE1 TYR A 97 -1.134 -6.397 -12.245 1.00 0.00 C ATOM 1617 CE2 TYR A 97 0.225 -4.923 -10.939 1.00 0.00 C ATOM 1618 CZ TYR A 97 -0.017 -5.599 -12.117 1.00 0.00 C ATOM 1619 OH TYR A 97 0.856 -5.473 -13.174 1.00 0.00 O ATOM 0 H TYR A 97 -4.061 -6.546 -6.789 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.454 -8.006 -9.150 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.726 -5.568 -9.116 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.398 -5.396 -7.986 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.886 -7.147 -11.291 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.463 -4.522 -8.961 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.321 -6.924 -13.169 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.100 -4.297 -10.843 1.00 0.00 H new ATOM 0 HH TYR A 97 1.590 -4.875 -12.922 1.00 0.00 H new ATOM 1629 N GLN A 98 -0.883 -7.511 -7.113 1.00 0.00 N ATOM 1630 CA GLN A 98 0.457 -7.990 -6.773 1.00 0.00 C ATOM 1631 C GLN A 98 0.401 -9.419 -6.245 1.00 0.00 C ATOM 1632 O GLN A 98 1.084 -10.309 -6.762 1.00 0.00 O ATOM 1633 CB GLN A 98 1.118 -7.064 -5.736 1.00 0.00 C ATOM 1634 CG GLN A 98 1.350 -5.628 -6.223 1.00 0.00 C ATOM 1635 CD GLN A 98 2.558 -5.457 -7.147 1.00 0.00 C ATOM 1636 OE1 GLN A 98 2.898 -6.477 -7.928 1.00 0.00 O flip ATOM 1637 NE2 GLN A 98 3.190 -4.401 -7.159 1.00 0.00 N flip ATOM 0 H GLN A 98 -1.184 -6.697 -6.577 1.00 0.00 H new ATOM 0 HA GLN A 98 1.060 -7.980 -7.681 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.494 -7.035 -4.843 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.076 -7.494 -5.442 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.457 -5.287 -6.747 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.478 -4.980 -5.356 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.910 -3.632 -6.550 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.994 -4.295 -7.778 1.00 0.00 H new ATOM 1646 N SER A 99 -0.426 -9.643 -5.231 1.00 0.00 N ATOM 1647 CA SER A 99 -0.562 -10.969 -4.648 1.00 0.00 C ATOM 1648 C SER A 99 -1.143 -11.940 -5.673 1.00 0.00 C ATOM 1649 O SER A 99 -0.692 -13.075 -5.788 1.00 0.00 O ATOM 1650 CB SER A 99 -1.428 -10.906 -3.388 1.00 0.00 C ATOM 1651 OG SER A 99 -0.868 -10.005 -2.448 1.00 0.00 O ATOM 0 H SER A 99 -1.009 -8.927 -4.798 1.00 0.00 H new ATOM 0 HA SER A 99 0.424 -11.335 -4.361 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.438 -10.589 -3.649 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.510 -11.899 -2.945 1.00 0.00 H new ATOM 0 HG SER A 99 -1.584 -9.609 -1.908 1.00 0.00 H new ATOM 1657 N GLY A 100 -2.118 -11.474 -6.453 1.00 0.00 N ATOM 1658 CA GLY A 100 -2.695 -12.304 -7.498 1.00 0.00 C ATOM 1659 C GLY A 100 -1.665 -12.705 -8.538 1.00 0.00 C ATOM 1660 O GLY A 100 -1.783 -13.761 -9.169 1.00 0.00 O ATOM 0 H GLY A 100 -2.517 -10.538 -6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.128 -13.200 -7.052 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.508 -11.764 -7.983 1.00 0.00 H new ATOM 1664 N ALA A 101 -0.650 -11.861 -8.713 1.00 0.00 N ATOM 1665 CA ALA A 101 0.438 -12.134 -9.646 1.00 0.00 C ATOM 1666 C ALA A 101 1.389 -13.191 -9.085 1.00 0.00 C ATOM 1667 O ALA A 101 1.733 -14.156 -9.774 1.00 0.00 O ATOM 1668 CB ALA A 101 1.196 -10.848 -9.971 1.00 0.00 C ATOM 0 H ALA A 101 -0.560 -10.975 -8.215 1.00 0.00 H new ATOM 0 HA ALA A 101 0.006 -12.525 -10.567 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.004 -11.068 -10.668 1.00 0.00 H new ATOM 0 HB2 ALA A 101 0.514 -10.128 -10.423 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.611 -10.429 -9.054 1.00 0.00 H new ATOM 1674 N ASN A 102 1.803 -13.011 -7.834 1.00 0.00 N ATOM 1675 CA ASN A 102 2.767 -13.921 -7.203 1.00 0.00 C ATOM 1676 C ASN A 102 2.065 -15.138 -6.596 1.00 0.00 C ATOM 1677 O ASN A 102 2.299 -16.272 -7.016 1.00 0.00 O ATOM 1678 CB ASN A 102 3.575 -13.187 -6.116 1.00 0.00 C ATOM 1679 CG ASN A 102 4.395 -12.026 -6.658 1.00 0.00 C ATOM 1680 OD1 ASN A 102 4.005 -11.357 -7.616 1.00 0.00 O ATOM 1681 ND2 ASN A 102 5.545 -11.780 -6.050 1.00 0.00 N ATOM 0 H ASN A 102 1.490 -12.247 -7.235 1.00 0.00 H new ATOM 0 HA ASN A 102 3.449 -14.269 -7.979 1.00 0.00 H new ATOM 0 HB2 ASN A 102 2.891 -12.815 -5.353 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.242 -13.897 -5.627 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.139 -11.016 -6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.837 -12.354 -5.259 1.00 0.00 H new ATOM 1688 N LEU A 103 1.192 -14.885 -5.623 1.00 0.00 N ATOM 1689 CA LEU A 103 0.429 -15.928 -4.937 1.00 0.00 C ATOM 1690 C LEU A 103 -0.536 -15.275 -3.949 1.00 0.00 C ATOM 1691 O LEU A 103 -0.172 -14.311 -3.272 1.00 0.00 O ATOM 1692 CB LEU A 103 1.364 -16.941 -4.231 1.00 0.00 C ATOM 1693 CG LEU A 103 2.393 -16.362 -3.231 1.00 0.00 C ATOM 1694 CD1 LEU A 103 1.780 -16.152 -1.845 1.00 0.00 C ATOM 1695 CD2 LEU A 103 3.621 -17.269 -3.142 1.00 0.00 C ATOM 0 H LEU A 103 0.992 -13.944 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.144 -16.493 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.743 -17.663 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.909 -17.492 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 103 2.702 -15.386 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.534 -15.744 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.945 -15.456 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.424 -17.106 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.335 -16.847 -2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.318 -18.260 -2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.087 -17.348 -4.124 1.00 0.00 H new ATOM 1707 N VAL A 104 -1.768 -15.772 -3.886 1.00 0.00 N ATOM 1708 CA VAL A 104 -2.791 -15.155 -3.047 1.00 0.00 C ATOM 1709 C VAL A 104 -3.759 -16.192 -2.471 1.00 0.00 C ATOM 1710 O VAL A 104 -4.338 -17.000 -3.202 1.00 0.00 O ATOM 1711 CB VAL A 104 -3.585 -14.078 -3.837 1.00 0.00 C ATOM 1712 CG1 VAL A 104 -4.269 -14.678 -5.067 1.00 0.00 C ATOM 1713 CG2 VAL A 104 -4.595 -13.374 -2.937 1.00 0.00 C ATOM 0 H VAL A 104 -2.081 -16.594 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.271 -14.677 -2.217 1.00 0.00 H new ATOM 0 HB VAL A 104 -2.871 -13.334 -4.189 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.815 -13.897 -5.596 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.517 -15.107 -5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -4.963 -15.458 -4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -5.137 -12.625 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -5.299 -14.105 -2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.072 -12.888 -2.113 1.00 0.00 H new ATOM 1723 N CYS A 105 -3.898 -16.179 -1.149 1.00 0.00 N ATOM 1724 CA CYS A 105 -4.892 -16.997 -0.455 1.00 0.00 C ATOM 1725 C CYS A 105 -5.675 -16.137 0.537 1.00 0.00 C ATOM 1726 O CYS A 105 -6.533 -16.632 1.272 1.00 0.00 O ATOM 1727 CB CYS A 105 -4.204 -18.158 0.277 1.00 0.00 C ATOM 1728 SG CYS A 105 -3.203 -19.214 -0.795 1.00 0.00 S ATOM 0 H CYS A 105 -3.328 -15.604 -0.529 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.585 -17.409 -1.188 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -3.569 -17.752 1.065 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -4.965 -18.769 0.763 1.00 0.00 H new ATOM 0 HG CYS A 105 -2.662 -20.162 -0.088 1.00 0.00 H new ATOM 1734 N ASN A 106 -5.374 -14.840 0.544 1.00 0.00 N ATOM 1735 CA ASN A 106 -5.936 -13.910 1.525 1.00 0.00 C ATOM 1736 C ASN A 106 -7.236 -13.278 1.038 1.00 0.00 C ATOM 1737 O ASN A 106 -8.044 -12.831 1.845 1.00 0.00 O ATOM 1738 CB ASN A 106 -4.911 -12.814 1.851 1.00 0.00 C ATOM 1739 CG ASN A 106 -4.409 -12.092 0.612 1.00 0.00 C ATOM 1740 OD1 ASN A 106 -3.485 -12.563 -0.051 1.00 0.00 O ATOM 1741 ND2 ASN A 106 -5.003 -10.957 0.289 1.00 0.00 N ATOM 0 H ASN A 106 -4.738 -14.405 -0.125 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.167 -14.481 2.425 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -5.363 -12.091 2.530 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.065 -13.258 2.375 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.699 -10.439 -0.535 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.766 -10.599 0.864 1.00 0.00 H new ATOM 1748 N THR A 107 -7.450 -13.273 -0.275 1.00 0.00 N ATOM 1749 CA THR A 107 -8.596 -12.583 -0.869 1.00 0.00 C ATOM 1750 C THR A 107 -9.867 -13.445 -0.866 1.00 0.00 C ATOM 1751 O THR A 107 -10.852 -13.116 -1.538 1.00 0.00 O ATOM 1752 CB THR A 107 -8.270 -12.143 -2.315 1.00 0.00 C ATOM 1753 OG1 THR A 107 -7.742 -13.256 -3.053 1.00 0.00 O ATOM 1754 CG2 THR A 107 -7.266 -10.992 -2.328 1.00 0.00 C ATOM 0 H THR A 107 -6.845 -13.739 -0.951 1.00 0.00 H new ATOM 0 HA THR A 107 -8.791 -11.706 -0.251 1.00 0.00 H new ATOM 0 HB THR A 107 -9.192 -11.796 -2.782 1.00 0.00 H new ATOM 0 HG1 THR A 107 -7.538 -12.974 -3.969 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.056 -10.704 -3.358 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.682 -10.140 -1.791 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.342 -11.310 -1.844 1.00 0.00 H new ATOM 1762 N ARG A 108 -9.856 -14.541 -0.109 1.00 0.00 N ATOM 1763 CA ARG A 108 -11.034 -15.402 0.011 1.00 0.00 C ATOM 1764 C ARG A 108 -12.117 -14.724 0.872 1.00 0.00 C ATOM 1765 O ARG A 108 -13.271 -14.618 0.445 1.00 0.00 O ATOM 1766 CB ARG A 108 -10.649 -16.784 0.578 1.00 0.00 C ATOM 1767 CG ARG A 108 -11.829 -17.740 0.758 1.00 0.00 C ATOM 1768 CD ARG A 108 -12.537 -18.037 -0.562 1.00 0.00 C ATOM 1769 NE ARG A 108 -11.643 -18.657 -1.545 1.00 0.00 N ATOM 1770 CZ ARG A 108 -11.985 -18.930 -2.806 1.00 0.00 C ATOM 1771 NH1 ARG A 108 -13.202 -18.639 -3.250 1.00 0.00 N ATOM 1772 NH2 ARG A 108 -11.110 -19.491 -3.626 1.00 0.00 N ATOM 0 H ARG A 108 -9.048 -14.854 0.429 1.00 0.00 H new ATOM 0 HA ARG A 108 -11.448 -15.558 -0.985 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.920 -17.246 -0.087 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -10.159 -16.645 1.541 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -11.475 -18.673 1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.541 -17.307 1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -13.384 -18.698 -0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.939 -17.111 -0.973 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.698 -18.895 -1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -13.882 -18.204 -2.626 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.457 -18.850 -4.215 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -10.172 -19.716 -3.295 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -11.374 -19.699 -4.589 1.00 0.00 H new ATOM 1786 N PRO A 109 -11.775 -14.245 2.093 1.00 0.00 N ATOM 1787 CA PRO A 109 -12.711 -13.504 2.941 1.00 0.00 C ATOM 1788 C PRO A 109 -12.650 -11.994 2.689 1.00 0.00 C ATOM 1789 O PRO A 109 -13.008 -11.200 3.560 1.00 0.00 O ATOM 1790 CB PRO A 109 -12.208 -13.851 4.339 1.00 0.00 C ATOM 1791 CG PRO A 109 -10.723 -13.936 4.184 1.00 0.00 C ATOM 1792 CD PRO A 109 -10.465 -14.398 2.766 1.00 0.00 C ATOM 0 HA PRO A 109 -13.754 -13.765 2.762 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -12.490 -13.088 5.064 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -12.626 -14.794 4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.258 -12.967 4.367 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.297 -14.635 4.903 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.696 -13.794 2.284 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.122 -15.432 2.740 1.00 0.00 H new ATOM 1800 N PHE A 110 -12.210 -11.631 1.481 1.00 0.00 N ATOM 1801 CA PHE A 110 -12.074 -10.237 1.038 1.00 0.00 C ATOM 1802 C PHE A 110 -13.241 -9.375 1.534 1.00 0.00 C ATOM 1803 O PHE A 110 -13.098 -8.585 2.469 1.00 0.00 O ATOM 1804 CB PHE A 110 -12.014 -10.224 -0.503 1.00 0.00 C ATOM 1805 CG PHE A 110 -11.642 -8.905 -1.151 1.00 0.00 C ATOM 1806 CD1 PHE A 110 -12.498 -7.808 -1.110 1.00 0.00 C ATOM 1807 CD2 PHE A 110 -10.446 -8.781 -1.848 1.00 0.00 C ATOM 1808 CE1 PHE A 110 -12.168 -6.626 -1.746 1.00 0.00 C ATOM 1809 CE2 PHE A 110 -10.111 -7.599 -2.479 1.00 0.00 C ATOM 1810 CZ PHE A 110 -10.973 -6.522 -2.430 1.00 0.00 C ATOM 0 H PHE A 110 -11.933 -12.308 0.770 1.00 0.00 H new ATOM 0 HA PHE A 110 -11.161 -9.813 1.457 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -11.294 -10.977 -0.823 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -12.988 -10.530 -0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -13.433 -7.881 -0.574 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -9.769 -9.621 -1.897 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -12.844 -5.785 -1.708 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -9.175 -7.517 -3.011 1.00 0.00 H new ATOM 0 HZ PHE A 110 -10.713 -5.599 -2.926 1.00 0.00 H new ATOM 1820 N ASP A 111 -14.405 -9.572 0.926 1.00 0.00 N ATOM 1821 CA ASP A 111 -15.582 -8.758 1.218 1.00 0.00 C ATOM 1822 C ASP A 111 -16.109 -9.045 2.620 1.00 0.00 C ATOM 1823 O ASP A 111 -16.466 -8.124 3.368 1.00 0.00 O ATOM 1824 CB ASP A 111 -16.675 -9.023 0.175 1.00 0.00 C ATOM 1825 CG ASP A 111 -17.956 -8.251 0.454 1.00 0.00 C ATOM 1826 OD1 ASP A 111 -18.025 -7.052 0.100 1.00 0.00 O ATOM 1827 OD2 ASP A 111 -18.902 -8.841 1.023 1.00 0.00 O ATOM 0 H ASP A 111 -14.561 -10.294 0.222 1.00 0.00 H new ATOM 0 HA ASP A 111 -15.293 -7.708 1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -16.301 -8.753 -0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.897 -10.090 0.151 1.00 0.00 H new ATOM 1832 N ASN A 112 -16.128 -10.328 2.976 1.00 0.00 N ATOM 1833 CA ASN A 112 -16.676 -10.774 4.257 1.00 0.00 C ATOM 1834 C ASN A 112 -16.014 -10.053 5.426 1.00 0.00 C ATOM 1835 O ASN A 112 -16.688 -9.643 6.371 1.00 0.00 O ATOM 1836 CB ASN A 112 -16.514 -12.290 4.428 1.00 0.00 C ATOM 1837 CG ASN A 112 -17.023 -12.774 5.781 1.00 0.00 C ATOM 1838 OD1 ASN A 112 -16.137 -12.843 6.766 1.00 0.00 O flip ATOM 1839 ND2 ASN A 112 -18.206 -13.082 5.940 1.00 0.00 N flip ATOM 0 H ASN A 112 -15.768 -11.082 2.391 1.00 0.00 H new ATOM 0 HA ASN A 112 -17.738 -10.530 4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -17.055 -12.804 3.633 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -15.462 -12.556 4.321 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -18.859 -13.016 5.160 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -18.531 -13.402 6.852 1.00 0.00 H new ATOM 1846 N GLU A 113 -14.696 -9.905 5.361 1.00 0.00 N ATOM 1847 CA GLU A 113 -13.950 -9.260 6.434 1.00 0.00 C ATOM 1848 C GLU A 113 -13.642 -7.800 6.098 1.00 0.00 C ATOM 1849 O GLU A 113 -13.156 -7.055 6.953 1.00 0.00 O ATOM 1850 CB GLU A 113 -12.673 -10.048 6.764 1.00 0.00 C ATOM 1851 CG GLU A 113 -12.965 -11.464 7.265 1.00 0.00 C ATOM 1852 CD GLU A 113 -11.768 -12.130 7.927 1.00 0.00 C ATOM 1853 OE1 GLU A 113 -11.555 -11.907 9.137 1.00 0.00 O ATOM 1854 OE2 GLU A 113 -11.049 -12.894 7.256 1.00 0.00 O ATOM 0 H GLU A 113 -14.123 -10.222 4.579 1.00 0.00 H new ATOM 0 HA GLU A 113 -14.577 -9.259 7.326 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.046 -10.104 5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.104 -9.509 7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -13.790 -11.427 7.976 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -13.295 -12.077 6.426 1.00 0.00 H new ATOM 1861 N GLU A 114 -13.918 -7.393 4.855 1.00 0.00 N ATOM 1862 CA GLU A 114 -13.900 -5.975 4.500 1.00 0.00 C ATOM 1863 C GLU A 114 -14.959 -5.257 5.331 1.00 0.00 C ATOM 1864 O GLU A 114 -14.697 -4.221 5.950 1.00 0.00 O ATOM 1865 CB GLU A 114 -14.183 -5.765 3.004 1.00 0.00 C ATOM 1866 CG GLU A 114 -14.107 -4.305 2.567 1.00 0.00 C ATOM 1867 CD GLU A 114 -14.678 -4.070 1.177 1.00 0.00 C ATOM 1868 OE1 GLU A 114 -15.905 -3.853 1.066 1.00 0.00 O ATOM 1869 OE2 GLU A 114 -13.909 -4.088 0.193 1.00 0.00 O ATOM 0 H GLU A 114 -14.154 -8.020 4.086 1.00 0.00 H new ATOM 0 HA GLU A 114 -12.909 -5.571 4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.468 -6.347 2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -15.175 -6.154 2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.648 -3.688 3.285 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.067 -3.979 2.586 1.00 0.00 H new ATOM 1876 N LYS A 115 -16.164 -5.823 5.334 1.00 0.00 N ATOM 1877 CA LYS A 115 -17.227 -5.377 6.227 1.00 0.00 C ATOM 1878 C LYS A 115 -17.535 -6.477 7.236 1.00 0.00 C ATOM 1879 O LYS A 115 -18.477 -7.252 7.064 1.00 0.00 O ATOM 1880 CB LYS A 115 -18.497 -4.993 5.448 1.00 0.00 C ATOM 1881 CG LYS A 115 -19.677 -4.613 6.346 1.00 0.00 C ATOM 1882 CD LYS A 115 -20.926 -4.281 5.538 1.00 0.00 C ATOM 1883 CE LYS A 115 -22.149 -4.101 6.433 1.00 0.00 C ATOM 1884 NZ LYS A 115 -21.947 -3.046 7.462 1.00 0.00 N ATOM 0 H LYS A 115 -16.428 -6.596 4.723 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.885 -4.485 6.751 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.269 -4.156 4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.790 -5.829 4.812 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -19.894 -5.436 7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -19.404 -3.755 6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.757 -3.369 4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -21.116 -5.078 4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -23.012 -3.845 5.818 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -22.378 -5.046 6.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -22.868 -2.650 7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -21.483 -3.459 8.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -21.348 -2.290 7.072 1.00 0.00 H new ATOM 1898 N ASP A 116 -16.702 -6.569 8.267 1.00 0.00 N ATOM 1899 CA ASP A 116 -16.884 -7.570 9.312 1.00 0.00 C ATOM 1900 C ASP A 116 -18.166 -7.273 10.083 1.00 0.00 C ATOM 1901 O ASP A 116 -18.988 -8.163 10.320 1.00 0.00 O ATOM 1902 CB ASP A 116 -15.678 -7.580 10.260 1.00 0.00 C ATOM 1903 CG ASP A 116 -15.755 -8.685 11.304 1.00 0.00 C ATOM 1904 OD1 ASP A 116 -16.319 -8.449 12.392 1.00 0.00 O ATOM 1905 OD2 ASP A 116 -15.238 -9.794 11.042 1.00 0.00 O ATOM 0 H ASP A 116 -15.893 -5.962 8.401 1.00 0.00 H new ATOM 0 HA ASP A 116 -16.963 -8.556 8.853 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -14.765 -7.701 9.677 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -15.610 -6.616 10.763 1.00 0.00 H new ATOM 1910 N LYS A 117 -18.326 -6.010 10.464 1.00 0.00 N ATOM 1911 CA LYS A 117 -19.532 -5.534 11.135 1.00 0.00 C ATOM 1912 C LYS A 117 -19.978 -4.213 10.503 1.00 0.00 C ATOM 1913 O LYS A 117 -21.020 -4.195 9.813 1.00 0.00 O ATOM 1914 CB LYS A 117 -19.290 -5.357 12.647 1.00 0.00 C ATOM 1915 CG LYS A 117 -18.963 -6.656 13.383 1.00 0.00 C ATOM 1916 CD LYS A 117 -20.115 -7.660 13.313 1.00 0.00 C ATOM 1917 CE LYS A 117 -19.747 -8.995 13.955 1.00 0.00 C ATOM 1918 NZ LYS A 117 -18.630 -9.671 13.239 1.00 0.00 N ATOM 1919 OXT LYS A 117 -19.266 -3.198 10.670 1.00 0.00 O ATOM 0 H LYS A 117 -17.623 -5.286 10.316 1.00 0.00 H new ATOM 0 HA LYS A 117 -20.320 -6.277 11.011 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -18.471 -4.653 12.793 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -20.177 -4.911 13.096 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -18.067 -7.102 12.951 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -18.738 -6.435 14.426 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -20.989 -7.245 13.815 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -20.392 -7.822 12.271 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -19.464 -8.831 14.995 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -20.620 -9.647 13.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -18.447 -10.596 13.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -18.889 -9.806 12.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -17.774 -9.084 13.299 1.00 0.00 H new TER 1933 LYS A 117