USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1141 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 117 SER OG : rot 77:sc= 0.156 USER MOD Set 1.2: A 130 HIS :FLIP no HD1:sc= -9.81! C(o=-10!,f=-9.6!) USER MOD Set 2.1: A 69 ASN : amide:sc= -1.76 K(o=-10,f=-15!) USER MOD Set 2.2: A 97 GLN : amide:sc= -8.93! C(o=-10!,f=-32!) USER MOD Set 2.3: A 99 SER OG : rot -45:sc= 0.188 USER MOD Set 3.1: A 6 SER OG : rot -90:sc= 1.64 USER MOD Set 3.2: A 8 HIS : no HE2:sc= -5.94! C(o=-6.9!,f=-14!) USER MOD Set 3.3: A 125 THR OG1 : rot -108:sc= 1 USER MOD Set 3.4: A 126 ASN :FLIP amide:sc= -3.64! C(o=-8.5!,f=-6.9!) USER MOD Single : A 1 GLY N :NH3+ -175:sc= -0.146 (180deg=-0.215) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.039) USER MOD Single : A 10 LYS NZ :NH3+ -162:sc= -0.0332 (180deg=-0.443) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0454 X(o=-0.045,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -166:sc= -0.379 (180deg=-0.994!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc=0.000272 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 4:sc= 0.932 USER MOD Single : A 35 GLN :FLIP amide:sc= -2.02 F(o=-5!,f=-2) USER MOD Single : A 40 THR OG1 : rot -60:sc= -0.967 USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.000926 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.0419 F(o=-0.65,f=-0.042) USER MOD Single : A 50 LYS NZ :NH3+ 149:sc= -3.08! (180deg=-5.12!) USER MOD Single : A 52 MET CE :methyl -173:sc=-1.95e-05 (180deg=-0.13) USER MOD Single : A 53 THR OG1 : rot -137:sc= 1.4 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.171) USER MOD Single : A 65 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.135 F(o=-2!,f=-0.14) USER MOD Single : A 73 TYR OH : rot 30:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-3.9!) USER MOD Single : A 76 THR OG1 : rot 171:sc= -2.16! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.00843 USER MOD Single : A 91 ASN : amide:sc= -0.163 K(o=-0.16,f=-1.3) USER MOD Single : A 94 LYS NZ :NH3+ -160:sc= -0.0603 (180deg=-0.586) USER MOD Single : A 95 THR OG1 : rot -150:sc= -0.0411 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.202) USER MOD Single : A 104 LYS NZ :NH3+ -144:sc= -0.23 (180deg=-1.3!) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.714 F(o=-5.4!,f=-0.71) USER MOD Single : A 109 THR OG1 : rot 79:sc= 0.69 USER MOD Single : A 113 ASN : amide:sc= -0.504 K(o=-0.5,f=-2.4) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 149:sc= 0.198 (180deg=0.00448) USER MOD Single : A 120 SER OG : rot -120:sc= -1.47 USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot -9:sc= 0.155 USER MOD Single : A 134 LYS NZ :NH3+ -169:sc= -2.21 (180deg=-2.95) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.933 18.435 6.162 1.00 0.00 N ATOM 2 CA GLY A 1 -21.862 18.569 7.612 1.00 0.00 C ATOM 3 C GLY A 1 -20.480 18.185 8.129 1.00 0.00 C ATOM 4 O GLY A 1 -20.153 18.424 9.291 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.854 18.782 5.826 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.172 18.993 5.724 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.824 17.434 5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.088 19.596 7.897 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.617 17.935 8.077 1.00 0.00 H new ATOM 8 N ALA A 2 -19.673 17.590 7.257 1.00 0.00 N ATOM 9 CA ALA A 2 -18.326 17.178 7.637 1.00 0.00 C ATOM 10 C ALA A 2 -17.677 16.372 6.516 1.00 0.00 C ATOM 11 O ALA A 2 -18.365 15.785 5.681 1.00 0.00 O ATOM 12 CB ALA A 2 -18.378 16.334 8.913 1.00 0.00 C ATOM 0 H ALA A 2 -19.925 17.383 6.290 1.00 0.00 H new ATOM 0 HA ALA A 2 -17.730 18.072 7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -17.368 16.030 9.190 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -18.814 16.922 9.721 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -18.988 15.448 8.738 1.00 0.00 H new ATOM 18 N MET A 3 -16.348 16.350 6.501 1.00 0.00 N ATOM 19 CA MET A 3 -15.616 15.615 5.475 1.00 0.00 C ATOM 20 C MET A 3 -15.482 14.146 5.860 1.00 0.00 C ATOM 21 O MET A 3 -15.553 13.791 7.036 1.00 0.00 O ATOM 22 CB MET A 3 -14.226 16.226 5.288 1.00 0.00 C ATOM 23 CG MET A 3 -14.366 17.686 4.852 1.00 0.00 C ATOM 24 SD MET A 3 -15.007 17.751 3.161 1.00 0.00 S ATOM 25 CE MET A 3 -13.553 18.512 2.397 1.00 0.00 C ATOM 0 H MET A 3 -15.759 16.829 7.182 1.00 0.00 H new ATOM 0 HA MET A 3 -16.171 15.683 4.540 1.00 0.00 H new ATOM 0 HB2 MET A 3 -13.662 16.166 6.219 1.00 0.00 H new ATOM 0 HB3 MET A 3 -13.667 15.664 4.540 1.00 0.00 H new ATOM 0 HG2 MET A 3 -15.038 18.216 5.528 1.00 0.00 H new ATOM 0 HG3 MET A 3 -13.399 18.187 4.906 1.00 0.00 H new ATOM 0 HE1 MET A 3 -13.732 18.648 1.330 1.00 0.00 H new ATOM 0 HE2 MET A 3 -13.364 19.481 2.859 1.00 0.00 H new ATOM 0 HE3 MET A 3 -12.687 17.866 2.541 1.00 0.00 H new ATOM 35 N GLU A 4 -15.290 13.295 4.859 1.00 0.00 N ATOM 36 CA GLU A 4 -15.146 11.865 5.102 1.00 0.00 C ATOM 37 C GLU A 4 -14.057 11.282 4.218 1.00 0.00 C ATOM 38 O GLU A 4 -12.873 11.387 4.527 1.00 0.00 O ATOM 39 CB GLU A 4 -16.476 11.150 4.843 1.00 0.00 C ATOM 40 CG GLU A 4 -17.451 11.482 5.976 1.00 0.00 C ATOM 41 CD GLU A 4 -18.828 10.904 5.673 1.00 0.00 C ATOM 42 OE1 GLU A 4 -18.886 9.891 4.996 1.00 0.00 O ATOM 43 OE2 GLU A 4 -19.803 11.482 6.123 1.00 0.00 O ATOM 0 H GLU A 4 -15.231 13.568 3.878 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.862 11.717 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.891 11.463 3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -16.319 10.073 4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -17.078 11.077 6.917 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.522 12.563 6.100 1.00 0.00 H new ATOM 50 N LYS A 5 -14.482 10.666 3.130 1.00 0.00 N ATOM 51 CA LYS A 5 -13.566 10.050 2.176 1.00 0.00 C ATOM 52 C LYS A 5 -13.009 8.741 2.733 1.00 0.00 C ATOM 53 O LYS A 5 -12.123 8.745 3.586 1.00 0.00 O ATOM 54 CB LYS A 5 -12.410 11.006 1.852 1.00 0.00 C ATOM 55 CG LYS A 5 -11.758 10.602 0.530 1.00 0.00 C ATOM 56 CD LYS A 5 -12.183 11.580 -0.569 1.00 0.00 C ATOM 57 CE LYS A 5 -11.533 12.954 -0.339 1.00 0.00 C ATOM 58 NZ LYS A 5 -12.593 13.992 -0.170 1.00 0.00 N ATOM 0 H LYS A 5 -15.467 10.576 2.880 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.121 9.837 1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -12.780 12.029 1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.672 10.983 2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.673 10.603 0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.052 9.587 0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -11.892 11.191 -1.545 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.268 11.680 -0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.897 12.922 0.546 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.892 13.209 -1.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.190 14.933 -0.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -13.367 13.811 -0.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -12.962 13.956 0.802 1.00 0.00 H new ATOM 72 N SER A 6 -13.533 7.620 2.243 1.00 0.00 N ATOM 73 CA SER A 6 -13.074 6.312 2.703 1.00 0.00 C ATOM 74 C SER A 6 -12.001 5.764 1.769 1.00 0.00 C ATOM 75 O SER A 6 -11.753 6.320 0.700 1.00 0.00 O ATOM 76 CB SER A 6 -14.246 5.338 2.768 1.00 0.00 C ATOM 77 OG SER A 6 -15.293 5.917 3.535 1.00 0.00 O ATOM 0 H SER A 6 -14.267 7.590 1.536 1.00 0.00 H new ATOM 0 HA SER A 6 -12.648 6.427 3.699 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.600 5.108 1.763 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.928 4.397 3.217 1.00 0.00 H new ATOM 0 HG SER A 6 -15.177 5.680 4.479 1.00 0.00 H new ATOM 83 N LEU A 7 -11.362 4.675 2.183 1.00 0.00 N ATOM 84 CA LEU A 7 -10.308 4.075 1.375 1.00 0.00 C ATOM 85 C LEU A 7 -10.801 3.806 -0.046 1.00 0.00 C ATOM 86 O LEU A 7 -10.313 4.403 -1.006 1.00 0.00 O ATOM 87 CB LEU A 7 -9.866 2.754 2.013 1.00 0.00 C ATOM 88 CG LEU A 7 -8.511 2.922 2.707 1.00 0.00 C ATOM 89 CD1 LEU A 7 -8.325 1.811 3.742 1.00 0.00 C ATOM 90 CD2 LEU A 7 -7.399 2.829 1.667 1.00 0.00 C ATOM 0 H LEU A 7 -11.553 4.195 3.063 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.469 4.769 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.613 2.424 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.797 1.979 1.249 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.474 3.892 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.361 1.931 4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.122 1.868 4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.360 0.841 3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.432 2.948 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.440 1.857 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.529 3.616 0.924 1.00 0.00 H new ATOM 102 N HIS A 8 -11.777 2.914 -0.172 1.00 0.00 N ATOM 103 CA HIS A 8 -12.323 2.591 -1.481 1.00 0.00 C ATOM 104 C HIS A 8 -12.723 3.863 -2.225 1.00 0.00 C ATOM 105 O HIS A 8 -12.363 4.054 -3.386 1.00 0.00 O ATOM 106 CB HIS A 8 -13.544 1.696 -1.322 1.00 0.00 C ATOM 107 CG HIS A 8 -14.071 1.806 0.087 1.00 0.00 C ATOM 108 ND1 HIS A 8 -15.000 2.768 0.454 1.00 0.00 N ATOM 109 CD2 HIS A 8 -13.810 1.085 1.230 1.00 0.00 C ATOM 110 CE1 HIS A 8 -15.262 2.602 1.763 1.00 0.00 C ATOM 111 NE2 HIS A 8 -14.563 1.590 2.285 1.00 0.00 N ATOM 0 H HIS A 8 -12.201 2.409 0.606 1.00 0.00 H new ATOM 0 HA HIS A 8 -11.557 2.071 -2.056 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -14.316 1.987 -2.034 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -13.281 0.662 -1.543 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -15.410 3.474 -0.158 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -13.124 0.253 1.298 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -15.954 3.213 2.324 1.00 0.00 H new ATOM 120 N GLU A 9 -13.472 4.727 -1.547 1.00 0.00 N ATOM 121 CA GLU A 9 -13.916 5.977 -2.154 1.00 0.00 C ATOM 122 C GLU A 9 -12.754 6.659 -2.870 1.00 0.00 C ATOM 123 O GLU A 9 -12.885 7.097 -4.012 1.00 0.00 O ATOM 124 CB GLU A 9 -14.481 6.906 -1.079 1.00 0.00 C ATOM 125 CG GLU A 9 -15.983 6.647 -0.921 1.00 0.00 C ATOM 126 CD GLU A 9 -16.760 7.278 -2.075 1.00 0.00 C ATOM 127 OE1 GLU A 9 -16.221 8.163 -2.717 1.00 0.00 O ATOM 128 OE2 GLU A 9 -17.886 6.865 -2.297 1.00 0.00 O ATOM 0 H GLU A 9 -13.782 4.587 -0.585 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.696 5.756 -2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.970 6.737 -0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.307 7.946 -1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.172 5.574 -0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.331 7.058 0.027 1.00 0.00 H new ATOM 135 N LYS A 10 -11.616 6.743 -2.191 1.00 0.00 N ATOM 136 CA LYS A 10 -10.434 7.368 -2.774 1.00 0.00 C ATOM 137 C LYS A 10 -9.983 6.614 -4.022 1.00 0.00 C ATOM 138 O LYS A 10 -9.770 7.214 -5.076 1.00 0.00 O ATOM 139 CB LYS A 10 -9.294 7.385 -1.755 1.00 0.00 C ATOM 140 CG LYS A 10 -8.215 8.369 -2.214 1.00 0.00 C ATOM 141 CD LYS A 10 -8.305 9.647 -1.385 1.00 0.00 C ATOM 142 CE LYS A 10 -7.240 10.635 -1.861 1.00 0.00 C ATOM 143 NZ LYS A 10 -5.885 10.093 -1.558 1.00 0.00 N ATOM 0 H LYS A 10 -11.486 6.389 -1.243 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.693 8.390 -3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.672 7.675 -0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.870 6.386 -1.651 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.228 7.920 -2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.344 8.599 -3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.297 10.089 -1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.160 9.420 -0.329 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.343 10.808 -2.932 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.376 11.598 -1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.187 10.863 -1.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.885 9.668 -0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.636 9.368 -2.261 1.00 0.00 H new ATOM 157 N LEU A 11 -9.834 5.297 -3.897 1.00 0.00 N ATOM 158 CA LEU A 11 -9.401 4.479 -5.031 1.00 0.00 C ATOM 159 C LEU A 11 -10.437 4.512 -6.148 1.00 0.00 C ATOM 160 O LEU A 11 -10.112 4.304 -7.317 1.00 0.00 O ATOM 161 CB LEU A 11 -9.183 3.032 -4.583 1.00 0.00 C ATOM 162 CG LEU A 11 -8.312 3.012 -3.326 1.00 0.00 C ATOM 163 CD1 LEU A 11 -8.012 1.566 -2.931 1.00 0.00 C ATOM 164 CD2 LEU A 11 -6.996 3.748 -3.600 1.00 0.00 C ATOM 0 H LEU A 11 -10.003 4.778 -3.035 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.464 4.890 -5.407 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.142 2.554 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.704 2.462 -5.379 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.843 3.507 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.391 1.555 -2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.947 1.042 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.484 1.069 -3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.377 3.733 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.466 3.255 -4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.208 4.781 -3.877 1.00 0.00 H new ATOM 176 N LYS A 12 -11.686 4.774 -5.782 1.00 0.00 N ATOM 177 CA LYS A 12 -12.760 4.830 -6.767 1.00 0.00 C ATOM 178 C LYS A 12 -12.771 6.180 -7.476 1.00 0.00 C ATOM 179 O LYS A 12 -13.148 6.275 -8.644 1.00 0.00 O ATOM 180 CB LYS A 12 -14.107 4.600 -6.081 1.00 0.00 C ATOM 181 CG LYS A 12 -14.453 3.110 -6.127 1.00 0.00 C ATOM 182 CD LYS A 12 -15.511 2.798 -5.067 1.00 0.00 C ATOM 183 CE LYS A 12 -16.749 3.665 -5.311 1.00 0.00 C ATOM 184 NZ LYS A 12 -17.949 2.987 -4.746 1.00 0.00 N ATOM 0 H LYS A 12 -11.979 4.949 -4.821 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.590 4.048 -7.507 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.064 4.943 -5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.884 5.181 -6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.824 2.843 -7.116 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.559 2.513 -5.950 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.780 1.742 -5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.111 2.989 -4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.619 4.643 -4.847 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.883 3.834 -6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -18.790 3.576 -4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -18.076 2.064 -5.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.820 2.848 -3.724 1.00 0.00 H new ATOM 198 N GLN A 13 -12.357 7.221 -6.762 1.00 0.00 N ATOM 199 CA GLN A 13 -12.324 8.564 -7.333 1.00 0.00 C ATOM 200 C GLN A 13 -11.044 8.777 -8.136 1.00 0.00 C ATOM 201 O GLN A 13 -11.040 9.495 -9.135 1.00 0.00 O ATOM 202 CB GLN A 13 -12.401 9.608 -6.215 1.00 0.00 C ATOM 203 CG GLN A 13 -12.584 11.003 -6.820 1.00 0.00 C ATOM 204 CD GLN A 13 -13.988 11.519 -6.527 1.00 0.00 C ATOM 205 OE1 GLN A 13 -14.765 11.765 -7.449 1.00 0.00 O ATOM 206 NE2 GLN A 13 -14.360 11.702 -5.290 1.00 0.00 N ATOM 0 H GLN A 13 -12.042 7.163 -5.794 1.00 0.00 H new ATOM 0 HA GLN A 13 -13.180 8.674 -7.998 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -13.232 9.379 -5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.492 9.579 -5.614 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.843 11.687 -6.407 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.419 10.966 -7.897 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.714 11.497 -4.528 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.297 12.050 -5.085 1.00 0.00 H new ATOM 215 N ASP A 14 -9.959 8.150 -7.692 1.00 0.00 N ATOM 216 CA ASP A 14 -8.680 8.283 -8.379 1.00 0.00 C ATOM 217 C ASP A 14 -8.555 7.245 -9.487 1.00 0.00 C ATOM 218 O ASP A 14 -8.785 6.056 -9.266 1.00 0.00 O ATOM 219 CB ASP A 14 -7.532 8.105 -7.384 1.00 0.00 C ATOM 220 CG ASP A 14 -6.820 9.437 -7.167 1.00 0.00 C ATOM 221 OD1 ASP A 14 -7.111 10.087 -6.178 1.00 0.00 O ATOM 222 OD2 ASP A 14 -5.996 9.786 -7.996 1.00 0.00 O ATOM 0 H ASP A 14 -9.939 7.550 -6.867 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.630 9.278 -8.821 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.916 7.730 -6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.827 7.363 -7.758 1.00 0.00 H new ATOM 227 N LYS A 15 -8.190 7.700 -10.681 1.00 0.00 N ATOM 228 CA LYS A 15 -8.039 6.795 -11.815 1.00 0.00 C ATOM 229 C LYS A 15 -6.667 6.125 -11.788 1.00 0.00 C ATOM 230 O LYS A 15 -6.492 5.027 -12.316 1.00 0.00 O ATOM 231 CB LYS A 15 -8.209 7.567 -13.126 1.00 0.00 C ATOM 232 CG LYS A 15 -9.096 6.775 -14.094 1.00 0.00 C ATOM 233 CD LYS A 15 -10.568 7.046 -13.777 1.00 0.00 C ATOM 234 CE LYS A 15 -11.447 6.067 -14.556 1.00 0.00 C ATOM 235 NZ LYS A 15 -10.741 5.650 -15.800 1.00 0.00 N ATOM 0 H LYS A 15 -7.995 8.680 -10.888 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.807 6.025 -11.746 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.654 8.542 -12.928 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.234 7.748 -13.579 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.876 7.061 -15.122 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.885 5.709 -14.008 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.746 6.939 -12.707 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.825 8.072 -14.042 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.671 5.195 -13.942 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.399 6.535 -14.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.414 5.182 -16.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.341 6.487 -16.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.975 4.989 -15.559 1.00 0.00 H new ATOM 249 N ARG A 16 -5.699 6.791 -11.168 1.00 0.00 N ATOM 250 CA ARG A 16 -4.345 6.253 -11.073 1.00 0.00 C ATOM 251 C ARG A 16 -4.356 4.896 -10.374 1.00 0.00 C ATOM 252 O ARG A 16 -3.528 4.031 -10.660 1.00 0.00 O ATOM 253 CB ARG A 16 -3.454 7.227 -10.297 1.00 0.00 C ATOM 254 CG ARG A 16 -3.578 8.624 -10.910 1.00 0.00 C ATOM 255 CD ARG A 16 -2.794 9.626 -10.062 1.00 0.00 C ATOM 256 NE ARG A 16 -1.998 10.499 -10.917 1.00 0.00 N ATOM 257 CZ ARG A 16 -0.946 10.035 -11.583 1.00 0.00 C ATOM 258 NH1 ARG A 16 -0.604 8.781 -11.472 1.00 0.00 N ATOM 259 NH2 ARG A 16 -0.258 10.834 -12.353 1.00 0.00 N ATOM 0 H ARG A 16 -5.825 7.701 -10.725 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.950 6.124 -12.081 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.749 7.250 -9.248 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.417 6.894 -10.330 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.197 8.619 -11.931 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.626 8.918 -10.962 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.482 10.222 -9.462 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.144 9.094 -9.367 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.253 11.483 -11.005 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.144 8.156 -10.874 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.204 8.425 -11.984 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.528 11.813 -12.443 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.550 10.479 -12.865 1.00 0.00 H new ATOM 273 N PHE A 17 -5.302 4.721 -9.457 1.00 0.00 N ATOM 274 CA PHE A 17 -5.419 3.466 -8.713 1.00 0.00 C ATOM 275 C PHE A 17 -6.532 2.587 -9.286 1.00 0.00 C ATOM 276 O PHE A 17 -6.972 1.618 -8.657 1.00 0.00 O ATOM 277 CB PHE A 17 -5.686 3.761 -7.234 1.00 0.00 C ATOM 278 CG PHE A 17 -4.810 4.910 -6.772 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.428 4.894 -7.025 1.00 0.00 C ATOM 280 CD2 PHE A 17 -5.381 5.996 -6.093 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.623 5.958 -6.592 1.00 0.00 C ATOM 282 CE2 PHE A 17 -4.575 7.057 -5.663 1.00 0.00 C ATOM 283 CZ PHE A 17 -3.198 7.041 -5.914 1.00 0.00 C ATOM 0 H PHE A 17 -5.996 5.426 -9.210 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.479 2.922 -8.808 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.737 4.011 -7.088 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.483 2.874 -6.635 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.985 4.062 -7.553 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.444 6.014 -5.902 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.560 5.942 -6.781 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.017 7.890 -5.136 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.579 7.863 -5.585 1.00 0.00 H new ATOM 293 N SER A 18 -6.974 2.917 -10.489 1.00 0.00 N ATOM 294 CA SER A 18 -8.019 2.140 -11.133 1.00 0.00 C ATOM 295 C SER A 18 -7.606 0.674 -11.215 1.00 0.00 C ATOM 296 O SER A 18 -8.424 -0.237 -11.038 1.00 0.00 O ATOM 297 CB SER A 18 -8.267 2.688 -12.538 1.00 0.00 C ATOM 298 OG SER A 18 -9.205 1.860 -13.211 1.00 0.00 O ATOM 0 H SER A 18 -6.630 3.708 -11.033 1.00 0.00 H new ATOM 0 HA SER A 18 -8.935 2.215 -10.547 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.643 3.709 -12.480 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.331 2.724 -13.096 1.00 0.00 H new ATOM 0 HG SER A 18 -9.365 2.212 -14.111 1.00 0.00 H new ATOM 304 N THR A 19 -6.324 0.448 -11.474 1.00 0.00 N ATOM 305 CA THR A 19 -5.819 -0.911 -11.572 1.00 0.00 C ATOM 306 C THR A 19 -6.124 -1.681 -10.295 1.00 0.00 C ATOM 307 O THR A 19 -6.565 -2.832 -10.344 1.00 0.00 O ATOM 308 CB THR A 19 -4.309 -0.898 -11.820 1.00 0.00 C ATOM 309 OG1 THR A 19 -4.013 -0.025 -12.899 1.00 0.00 O ATOM 310 CG2 THR A 19 -3.844 -2.313 -12.162 1.00 0.00 C ATOM 0 H THR A 19 -5.626 1.178 -11.618 1.00 0.00 H new ATOM 0 HA THR A 19 -6.313 -1.404 -12.410 1.00 0.00 H new ATOM 0 HB THR A 19 -3.793 -0.550 -10.925 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.046 -0.016 -13.056 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.769 -2.310 -12.340 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.073 -2.982 -11.332 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.359 -2.658 -13.059 1.00 0.00 H new ATOM 318 N PHE A 20 -5.893 -1.035 -9.155 1.00 0.00 N ATOM 319 CA PHE A 20 -6.145 -1.664 -7.866 1.00 0.00 C ATOM 320 C PHE A 20 -7.576 -2.142 -7.782 1.00 0.00 C ATOM 321 O PHE A 20 -7.843 -3.277 -7.397 1.00 0.00 O ATOM 322 CB PHE A 20 -5.863 -0.677 -6.728 1.00 0.00 C ATOM 323 CG PHE A 20 -4.543 -1.011 -6.083 1.00 0.00 C ATOM 324 CD1 PHE A 20 -4.417 -0.972 -4.690 1.00 0.00 C ATOM 325 CD2 PHE A 20 -3.442 -1.347 -6.877 1.00 0.00 C ATOM 326 CE1 PHE A 20 -3.192 -1.276 -4.089 1.00 0.00 C ATOM 327 CE2 PHE A 20 -2.215 -1.654 -6.278 1.00 0.00 C ATOM 328 CZ PHE A 20 -2.091 -1.616 -4.882 1.00 0.00 C ATOM 0 H PHE A 20 -5.534 -0.082 -9.099 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.479 -2.521 -7.768 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.843 0.342 -7.114 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.662 -0.722 -5.988 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.267 -0.707 -4.079 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.539 -1.370 -7.952 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.096 -1.248 -3.014 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.366 -1.920 -6.890 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.144 -1.850 -4.418 1.00 0.00 H new ATOM 338 N LEU A 21 -8.489 -1.283 -8.157 1.00 0.00 N ATOM 339 CA LEU A 21 -9.884 -1.652 -8.117 1.00 0.00 C ATOM 340 C LEU A 21 -10.115 -2.900 -8.944 1.00 0.00 C ATOM 341 O LEU A 21 -10.899 -3.759 -8.561 1.00 0.00 O ATOM 342 CB LEU A 21 -10.748 -0.504 -8.662 1.00 0.00 C ATOM 343 CG LEU A 21 -11.799 -0.061 -7.626 1.00 0.00 C ATOM 344 CD1 LEU A 21 -12.780 -1.195 -7.343 1.00 0.00 C ATOM 345 CD2 LEU A 21 -11.115 0.308 -6.323 1.00 0.00 C ATOM 0 H LEU A 21 -8.298 -0.337 -8.489 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.164 -1.851 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.112 0.342 -8.924 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.247 -0.823 -9.577 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.334 0.798 -8.032 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.515 -0.865 -6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.288 -1.475 -8.266 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.238 -2.056 -6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.864 0.620 -5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.574 -0.556 -5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.416 1.126 -6.498 1.00 0.00 H new ATOM 357 N SER A 22 -9.434 -2.990 -10.073 1.00 0.00 N ATOM 358 CA SER A 22 -9.614 -4.135 -10.952 1.00 0.00 C ATOM 359 C SER A 22 -9.050 -5.434 -10.382 1.00 0.00 C ATOM 360 O SER A 22 -9.765 -6.434 -10.264 1.00 0.00 O ATOM 361 CB SER A 22 -8.956 -3.854 -12.289 1.00 0.00 C ATOM 362 OG SER A 22 -9.515 -4.719 -13.269 1.00 0.00 O ATOM 0 H SER A 22 -8.761 -2.297 -10.400 1.00 0.00 H new ATOM 0 HA SER A 22 -10.689 -4.276 -11.063 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.110 -2.813 -12.573 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.879 -4.009 -12.219 1.00 0.00 H new ATOM 0 HG SER A 22 -9.097 -4.543 -14.138 1.00 0.00 H new ATOM 368 N LEU A 23 -7.773 -5.423 -10.062 1.00 0.00 N ATOM 369 CA LEU A 23 -7.115 -6.614 -9.537 1.00 0.00 C ATOM 370 C LEU A 23 -7.662 -7.005 -8.175 1.00 0.00 C ATOM 371 O LEU A 23 -7.917 -8.183 -7.917 1.00 0.00 O ATOM 372 CB LEU A 23 -5.606 -6.361 -9.436 1.00 0.00 C ATOM 373 CG LEU A 23 -5.337 -5.144 -8.526 1.00 0.00 C ATOM 374 CD1 LEU A 23 -5.033 -5.590 -7.091 1.00 0.00 C ATOM 375 CD2 LEU A 23 -4.127 -4.365 -9.039 1.00 0.00 C ATOM 0 H LEU A 23 -7.166 -4.608 -10.154 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.312 -7.438 -10.223 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.107 -7.243 -9.035 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.191 -6.183 -10.428 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.231 -4.520 -8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.847 -4.714 -6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.884 -6.143 -6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.151 -6.231 -7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.945 -3.508 -8.391 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.251 -5.013 -9.039 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.321 -4.018 -10.054 1.00 0.00 H new ATOM 387 N LEU A 24 -7.808 -6.033 -7.289 1.00 0.00 N ATOM 388 CA LEU A 24 -8.294 -6.336 -5.955 1.00 0.00 C ATOM 389 C LEU A 24 -9.693 -6.938 -6.030 1.00 0.00 C ATOM 390 O LEU A 24 -9.997 -7.887 -5.314 1.00 0.00 O ATOM 391 CB LEU A 24 -8.258 -5.072 -5.077 1.00 0.00 C ATOM 392 CG LEU A 24 -9.586 -4.303 -5.166 1.00 0.00 C ATOM 393 CD1 LEU A 24 -10.657 -4.904 -4.251 1.00 0.00 C ATOM 394 CD2 LEU A 24 -9.361 -2.871 -4.724 1.00 0.00 C ATOM 0 H LEU A 24 -7.602 -5.049 -7.464 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.642 -7.076 -5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.063 -5.350 -4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.438 -4.427 -5.394 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.928 -4.360 -6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.579 -4.330 -4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.842 -5.939 -4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.313 -4.871 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.299 -2.320 -4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.000 -2.860 -3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.622 -2.402 -5.373 1.00 0.00 H new ATOM 406 N GLU A 25 -10.546 -6.393 -6.889 1.00 0.00 N ATOM 407 CA GLU A 25 -11.895 -6.920 -7.005 1.00 0.00 C ATOM 408 C GLU A 25 -11.867 -8.352 -7.542 1.00 0.00 C ATOM 409 O GLU A 25 -12.661 -9.195 -7.134 1.00 0.00 O ATOM 410 CB GLU A 25 -12.710 -6.026 -7.943 1.00 0.00 C ATOM 411 CG GLU A 25 -13.339 -4.870 -7.161 1.00 0.00 C ATOM 412 CD GLU A 25 -14.174 -4.010 -8.107 1.00 0.00 C ATOM 413 OE1 GLU A 25 -13.789 -3.889 -9.258 1.00 0.00 O ATOM 414 OE2 GLU A 25 -15.181 -3.480 -7.666 1.00 0.00 O ATOM 0 H GLU A 25 -10.333 -5.605 -7.501 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.358 -6.932 -6.018 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.068 -5.634 -8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.490 -6.612 -8.429 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.965 -5.258 -6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.560 -4.266 -6.695 1.00 0.00 H new ATOM 421 N ALA A 26 -10.939 -8.628 -8.439 1.00 0.00 N ATOM 422 CA ALA A 26 -10.827 -9.961 -8.999 1.00 0.00 C ATOM 423 C ALA A 26 -10.331 -10.947 -7.946 1.00 0.00 C ATOM 424 O ALA A 26 -10.769 -12.095 -7.907 1.00 0.00 O ATOM 425 CB ALA A 26 -9.868 -9.947 -10.185 1.00 0.00 C ATOM 0 H ALA A 26 -10.259 -7.955 -8.792 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.814 -10.278 -9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.789 -10.952 -10.601 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.244 -9.267 -10.949 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.885 -9.613 -9.854 1.00 0.00 H new ATOM 431 N ALA A 27 -9.417 -10.488 -7.099 1.00 0.00 N ATOM 432 CA ALA A 27 -8.867 -11.342 -6.053 1.00 0.00 C ATOM 433 C ALA A 27 -9.849 -11.493 -4.905 1.00 0.00 C ATOM 434 O ALA A 27 -9.599 -12.240 -3.957 1.00 0.00 O ATOM 435 CB ALA A 27 -7.579 -10.747 -5.516 1.00 0.00 C ATOM 0 H ALA A 27 -9.044 -9.539 -7.115 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.672 -12.321 -6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.177 -11.393 -4.735 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.853 -10.661 -6.325 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.780 -9.759 -5.101 1.00 0.00 H new ATOM 441 N ASP A 28 -10.965 -10.778 -4.998 1.00 0.00 N ATOM 442 CA ASP A 28 -12.000 -10.828 -3.965 1.00 0.00 C ATOM 443 C ASP A 28 -11.598 -9.985 -2.748 1.00 0.00 C ATOM 444 O ASP A 28 -11.996 -10.279 -1.619 1.00 0.00 O ATOM 445 CB ASP A 28 -12.251 -12.284 -3.534 1.00 0.00 C ATOM 446 CG ASP A 28 -12.086 -13.228 -4.725 1.00 0.00 C ATOM 447 OD1 ASP A 28 -11.076 -13.910 -4.780 1.00 0.00 O ATOM 448 OD2 ASP A 28 -12.970 -13.250 -5.564 1.00 0.00 O ATOM 0 H ASP A 28 -11.179 -10.156 -5.778 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.918 -10.415 -4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -11.554 -12.561 -2.743 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.256 -12.380 -3.122 1.00 0.00 H new ATOM 453 N LEU A 29 -10.818 -8.931 -2.991 1.00 0.00 N ATOM 454 CA LEU A 29 -10.366 -8.042 -1.919 1.00 0.00 C ATOM 455 C LEU A 29 -11.358 -6.916 -1.716 1.00 0.00 C ATOM 456 O LEU A 29 -11.027 -5.854 -1.188 1.00 0.00 O ATOM 457 CB LEU A 29 -8.971 -7.483 -2.242 1.00 0.00 C ATOM 458 CG LEU A 29 -7.896 -8.242 -1.433 1.00 0.00 C ATOM 459 CD1 LEU A 29 -7.972 -7.876 0.047 1.00 0.00 C ATOM 460 CD2 LEU A 29 -8.086 -9.751 -1.566 1.00 0.00 C ATOM 0 H LEU A 29 -10.486 -8.672 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.302 -8.615 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.770 -7.579 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.933 -6.420 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.924 -7.955 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.206 -8.423 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.809 -6.805 0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.955 -8.139 0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.319 -10.267 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.071 -10.028 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.005 -10.037 -2.615 1.00 0.00 H new ATOM 472 N LYS A 30 -12.579 -7.168 -2.149 1.00 0.00 N ATOM 473 CA LYS A 30 -13.634 -6.196 -2.023 1.00 0.00 C ATOM 474 C LYS A 30 -14.637 -6.630 -0.957 1.00 0.00 C ATOM 475 O LYS A 30 -15.624 -5.943 -0.704 1.00 0.00 O ATOM 476 CB LYS A 30 -14.333 -5.985 -3.374 1.00 0.00 C ATOM 477 CG LYS A 30 -14.668 -7.327 -4.061 1.00 0.00 C ATOM 478 CD LYS A 30 -16.052 -7.825 -3.638 1.00 0.00 C ATOM 479 CE LYS A 30 -16.015 -9.342 -3.489 1.00 0.00 C ATOM 480 NZ LYS A 30 -17.402 -9.837 -3.289 1.00 0.00 N ATOM 0 H LYS A 30 -12.859 -8.043 -2.592 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.196 -5.247 -1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.250 -5.414 -3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.692 -5.392 -4.027 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.636 -7.204 -5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.914 -8.071 -3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.346 -7.362 -2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.797 -7.539 -4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.576 -9.798 -4.376 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.388 -9.623 -2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -17.390 -10.872 -3.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.803 -9.408 -2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.985 -9.578 -4.110 1.00 0.00 H new ATOM 494 N GLU A 31 -14.384 -7.775 -0.337 1.00 0.00 N ATOM 495 CA GLU A 31 -15.276 -8.274 0.701 1.00 0.00 C ATOM 496 C GLU A 31 -14.910 -7.700 2.067 1.00 0.00 C ATOM 497 O GLU A 31 -15.756 -7.564 2.944 1.00 0.00 O ATOM 498 CB GLU A 31 -15.225 -9.794 0.741 1.00 0.00 C ATOM 499 CG GLU A 31 -16.644 -10.325 0.932 1.00 0.00 C ATOM 500 CD GLU A 31 -17.247 -9.755 2.214 1.00 0.00 C ATOM 501 OE1 GLU A 31 -16.584 -9.815 3.236 1.00 0.00 O ATOM 502 OE2 GLU A 31 -18.363 -9.264 2.152 1.00 0.00 O ATOM 0 H GLU A 31 -13.578 -8.370 -0.531 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.290 -7.953 0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.797 -10.182 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.583 -10.130 1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -17.262 -10.051 0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.630 -11.414 0.980 1.00 0.00 H new ATOM 509 N LEU A 32 -13.634 -7.392 2.235 1.00 0.00 N ATOM 510 CA LEU A 32 -13.117 -6.836 3.488 1.00 0.00 C ATOM 511 C LEU A 32 -13.198 -5.308 3.509 1.00 0.00 C ATOM 512 O LEU A 32 -13.384 -4.701 4.565 1.00 0.00 O ATOM 513 CB LEU A 32 -11.655 -7.282 3.692 1.00 0.00 C ATOM 514 CG LEU A 32 -10.641 -6.352 2.962 1.00 0.00 C ATOM 515 CD1 LEU A 32 -9.216 -6.774 3.334 1.00 0.00 C ATOM 516 CD2 LEU A 32 -10.775 -6.494 1.454 1.00 0.00 C ATOM 0 H LEU A 32 -12.925 -7.518 1.513 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.738 -7.214 4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.428 -7.296 4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.535 -8.302 3.327 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.844 -5.324 3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.501 -6.127 2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.081 -6.689 4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.051 -7.807 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.059 -5.837 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.577 -7.527 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.786 -6.221 1.151 1.00 0.00 H new ATOM 528 N LEU A 33 -12.994 -4.693 2.347 1.00 0.00 N ATOM 529 CA LEU A 33 -12.992 -3.236 2.252 1.00 0.00 C ATOM 530 C LEU A 33 -14.363 -2.683 2.574 1.00 0.00 C ATOM 531 O LEU A 33 -14.530 -1.476 2.748 1.00 0.00 O ATOM 532 CB LEU A 33 -12.522 -2.801 0.843 1.00 0.00 C ATOM 533 CG LEU A 33 -13.709 -2.411 -0.052 1.00 0.00 C ATOM 534 CD1 LEU A 33 -13.220 -2.056 -1.461 1.00 0.00 C ATOM 535 CD2 LEU A 33 -14.661 -3.580 -0.162 1.00 0.00 C ATOM 0 H LEU A 33 -12.829 -5.177 1.464 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.294 -2.830 2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.839 -1.956 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.965 -3.614 0.377 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.209 -1.550 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.072 -1.782 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.527 -1.217 -1.405 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.713 -2.917 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -15.503 -3.305 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.141 -4.433 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -15.026 -3.847 0.830 1.00 0.00 H new ATOM 547 N THR A 34 -15.343 -3.564 2.618 1.00 0.00 N ATOM 548 CA THR A 34 -16.711 -3.143 2.885 1.00 0.00 C ATOM 549 C THR A 34 -16.972 -3.086 4.375 1.00 0.00 C ATOM 550 O THR A 34 -18.065 -2.722 4.807 1.00 0.00 O ATOM 551 CB THR A 34 -17.698 -4.100 2.225 1.00 0.00 C ATOM 552 OG1 THR A 34 -19.002 -3.853 2.727 1.00 0.00 O ATOM 553 CG2 THR A 34 -17.294 -5.524 2.547 1.00 0.00 C ATOM 0 H THR A 34 -15.224 -4.567 2.474 1.00 0.00 H new ATOM 0 HA THR A 34 -16.847 -2.145 2.467 1.00 0.00 H new ATOM 0 HB THR A 34 -17.693 -3.950 1.145 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.978 -3.085 3.335 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.995 -6.216 2.079 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.290 -5.712 2.167 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.307 -5.670 3.627 1.00 0.00 H new ATOM 561 N GLN A 35 -15.959 -3.427 5.156 1.00 0.00 N ATOM 562 CA GLN A 35 -16.083 -3.391 6.603 1.00 0.00 C ATOM 563 C GLN A 35 -15.229 -2.252 7.171 1.00 0.00 C ATOM 564 O GLN A 35 -14.192 -2.509 7.772 1.00 0.00 O ATOM 565 CB GLN A 35 -15.622 -4.727 7.192 1.00 0.00 C ATOM 566 CG GLN A 35 -16.741 -5.771 7.068 1.00 0.00 C ATOM 567 CD GLN A 35 -16.223 -7.002 6.349 1.00 0.00 C ATOM 568 OE1 GLN A 35 -16.678 -7.272 5.162 1.00 0.00 O flip ATOM 569 NE2 GLN A 35 -15.391 -7.736 6.882 1.00 0.00 N flip ATOM 0 H GLN A 35 -15.047 -3.730 4.814 1.00 0.00 H new ATOM 0 HA GLN A 35 -17.126 -3.221 6.869 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.730 -5.075 6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.349 -4.597 8.239 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -17.106 -6.044 8.058 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -17.585 -5.349 6.522 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.040 -7.516 7.814 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.053 -8.564 6.392 1.00 0.00 H new ATOM 578 N PRO A 36 -15.638 -1.011 6.986 1.00 0.00 N ATOM 579 CA PRO A 36 -14.885 0.174 7.488 1.00 0.00 C ATOM 580 C PRO A 36 -14.129 -0.102 8.787 1.00 0.00 C ATOM 581 O PRO A 36 -14.637 -0.771 9.685 1.00 0.00 O ATOM 582 CB PRO A 36 -15.988 1.203 7.698 1.00 0.00 C ATOM 583 CG PRO A 36 -17.016 0.895 6.654 1.00 0.00 C ATOM 584 CD PRO A 36 -16.861 -0.583 6.278 1.00 0.00 C ATOM 0 HA PRO A 36 -14.105 0.492 6.796 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -16.410 1.129 8.700 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.606 2.218 7.587 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -18.019 1.091 7.034 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.876 1.530 5.779 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -17.727 -1.166 6.591 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.763 -0.711 5.200 1.00 0.00 H new ATOM 592 N GLY A 37 -12.907 0.420 8.872 1.00 0.00 N ATOM 593 CA GLY A 37 -12.081 0.230 10.062 1.00 0.00 C ATOM 594 C GLY A 37 -10.850 1.124 10.008 1.00 0.00 C ATOM 595 O GLY A 37 -10.910 2.250 9.519 1.00 0.00 O ATOM 0 H GLY A 37 -12.469 0.974 8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.663 0.457 10.955 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.776 -0.814 10.137 1.00 0.00 H new ATOM 599 N ASP A 38 -9.731 0.616 10.505 1.00 0.00 N ATOM 600 CA ASP A 38 -8.493 1.379 10.489 1.00 0.00 C ATOM 601 C ASP A 38 -7.333 0.486 10.082 1.00 0.00 C ATOM 602 O ASP A 38 -6.938 -0.409 10.828 1.00 0.00 O ATOM 603 CB ASP A 38 -8.230 1.953 11.880 1.00 0.00 C ATOM 604 CG ASP A 38 -8.926 1.097 12.932 1.00 0.00 C ATOM 605 OD1 ASP A 38 -8.503 -0.032 13.124 1.00 0.00 O ATOM 606 OD2 ASP A 38 -9.873 1.580 13.531 1.00 0.00 O ATOM 0 H ASP A 38 -9.655 -0.312 10.920 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.586 2.191 9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.158 1.984 12.074 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.593 2.979 11.935 1.00 0.00 H new ATOM 611 N TRP A 39 -6.781 0.742 8.905 1.00 0.00 N ATOM 612 CA TRP A 39 -5.654 -0.050 8.416 1.00 0.00 C ATOM 613 C TRP A 39 -4.793 0.777 7.471 1.00 0.00 C ATOM 614 O TRP A 39 -5.190 1.863 7.050 1.00 0.00 O ATOM 615 CB TRP A 39 -6.153 -1.306 7.690 1.00 0.00 C ATOM 616 CG TRP A 39 -7.579 -1.558 8.029 1.00 0.00 C ATOM 617 CD1 TRP A 39 -8.017 -2.143 9.167 1.00 0.00 C ATOM 618 CD2 TRP A 39 -8.757 -1.264 7.236 1.00 0.00 C ATOM 619 NE1 TRP A 39 -9.396 -2.201 9.132 1.00 0.00 N ATOM 620 CE2 TRP A 39 -9.896 -1.680 7.958 1.00 0.00 C ATOM 621 CE3 TRP A 39 -8.947 -0.686 5.968 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -11.178 -1.512 7.454 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -10.243 -0.518 5.454 1.00 0.00 C ATOM 624 CH2 TRP A 39 -11.356 -0.936 6.196 1.00 0.00 C ATOM 0 H TRP A 39 -7.088 1.483 8.274 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.054 -0.351 9.275 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -6.044 -1.181 6.613 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.546 -2.165 7.974 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.392 -2.505 9.970 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.973 -2.582 9.882 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -8.093 -0.370 5.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -12.034 -1.826 8.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -10.382 -0.065 4.484 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -12.351 -0.812 5.794 1.00 0.00 H new ATOM 635 N THR A 40 -3.611 0.259 7.141 1.00 0.00 N ATOM 636 CA THR A 40 -2.706 0.967 6.242 1.00 0.00 C ATOM 637 C THR A 40 -2.746 0.358 4.863 1.00 0.00 C ATOM 638 O THR A 40 -2.555 -0.852 4.711 1.00 0.00 O ATOM 639 CB THR A 40 -1.270 0.909 6.755 1.00 0.00 C ATOM 640 OG1 THR A 40 -1.255 1.189 8.142 1.00 0.00 O ATOM 641 CG2 THR A 40 -0.407 1.938 6.023 1.00 0.00 C ATOM 0 H THR A 40 -3.262 -0.638 7.479 1.00 0.00 H new ATOM 0 HA THR A 40 -3.035 2.005 6.200 1.00 0.00 H new ATOM 0 HB THR A 40 -0.868 -0.088 6.574 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.621 2.084 8.299 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.615 1.888 6.397 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.413 1.724 4.954 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.807 2.937 6.195 1.00 0.00 H new ATOM 649 N LEU A 41 -2.994 1.201 3.865 1.00 0.00 N ATOM 650 CA LEU A 41 -3.058 0.724 2.485 1.00 0.00 C ATOM 651 C LEU A 41 -1.873 1.220 1.665 1.00 0.00 C ATOM 652 O LEU A 41 -1.678 2.425 1.493 1.00 0.00 O ATOM 653 CB LEU A 41 -4.382 1.179 1.844 1.00 0.00 C ATOM 654 CG LEU A 41 -4.503 0.758 0.351 1.00 0.00 C ATOM 655 CD1 LEU A 41 -3.673 1.660 -0.577 1.00 0.00 C ATOM 656 CD2 LEU A 41 -4.039 -0.681 0.149 1.00 0.00 C ATOM 0 H LEU A 41 -3.152 2.202 3.981 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.014 -0.365 2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.216 0.757 2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.463 2.263 1.919 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.558 0.857 0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.790 1.327 -1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.018 2.690 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.622 1.604 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.134 -0.950 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.997 -0.773 0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.654 -1.350 0.751 1.00 0.00 H new ATOM 668 N PHE A 42 -1.103 0.270 1.137 1.00 0.00 N ATOM 669 CA PHE A 42 0.049 0.593 0.302 1.00 0.00 C ATOM 670 C PHE A 42 -0.295 0.364 -1.161 1.00 0.00 C ATOM 671 O PHE A 42 -0.553 -0.766 -1.574 1.00 0.00 O ATOM 672 CB PHE A 42 1.254 -0.270 0.677 1.00 0.00 C ATOM 673 CG PHE A 42 2.097 0.475 1.671 1.00 0.00 C ATOM 674 CD1 PHE A 42 1.649 0.644 2.986 1.00 0.00 C ATOM 675 CD2 PHE A 42 3.332 1.000 1.279 1.00 0.00 C ATOM 676 CE1 PHE A 42 2.440 1.338 3.907 1.00 0.00 C ATOM 677 CE2 PHE A 42 4.118 1.693 2.200 1.00 0.00 C ATOM 678 CZ PHE A 42 3.675 1.860 3.513 1.00 0.00 C ATOM 0 H PHE A 42 -1.257 -0.729 1.274 1.00 0.00 H new ATOM 0 HA PHE A 42 0.304 1.640 0.464 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.921 -1.218 1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.839 -0.506 -0.212 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.695 0.239 3.289 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.677 0.869 0.264 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.097 1.471 4.922 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.071 2.101 1.897 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.287 2.393 4.225 1.00 0.00 H new ATOM 688 N VAL A 43 -0.319 1.450 -1.931 1.00 0.00 N ATOM 689 CA VAL A 43 -0.656 1.372 -3.349 1.00 0.00 C ATOM 690 C VAL A 43 0.435 2.030 -4.213 1.00 0.00 C ATOM 691 O VAL A 43 0.671 3.229 -4.091 1.00 0.00 O ATOM 692 CB VAL A 43 -1.995 2.068 -3.620 1.00 0.00 C ATOM 693 CG1 VAL A 43 -2.139 3.348 -2.791 1.00 0.00 C ATOM 694 CG2 VAL A 43 -2.090 2.412 -5.108 1.00 0.00 C ATOM 0 H VAL A 43 -0.110 2.391 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.731 0.317 -3.613 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.798 1.389 -3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.099 3.816 -3.008 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.086 3.102 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.334 4.038 -3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.040 2.907 -5.307 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.270 3.077 -5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.027 1.497 -5.698 1.00 0.00 H new ATOM 704 N PRO A 44 1.097 1.296 -5.084 1.00 0.00 N ATOM 705 CA PRO A 44 2.154 1.872 -5.958 1.00 0.00 C ATOM 706 C PRO A 44 1.571 2.527 -7.210 1.00 0.00 C ATOM 707 O PRO A 44 0.550 2.083 -7.734 1.00 0.00 O ATOM 708 CB PRO A 44 2.999 0.659 -6.319 1.00 0.00 C ATOM 709 CG PRO A 44 2.049 -0.489 -6.324 1.00 0.00 C ATOM 710 CD PRO A 44 0.928 -0.145 -5.340 1.00 0.00 C ATOM 0 HA PRO A 44 2.717 2.665 -5.466 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.472 0.784 -7.293 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.799 0.506 -5.594 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.648 -0.653 -7.324 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.554 -1.409 -6.028 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.053 -0.361 -5.763 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.014 -0.725 -4.421 1.00 0.00 H new ATOM 718 N THR A 45 2.223 3.588 -7.684 1.00 0.00 N ATOM 719 CA THR A 45 1.754 4.292 -8.874 1.00 0.00 C ATOM 720 C THR A 45 2.343 3.671 -10.135 1.00 0.00 C ATOM 721 O THR A 45 3.156 2.751 -10.066 1.00 0.00 O ATOM 722 CB THR A 45 2.156 5.765 -8.797 1.00 0.00 C ATOM 723 OG1 THR A 45 3.454 5.871 -8.232 1.00 0.00 O ATOM 724 CG2 THR A 45 1.155 6.517 -7.923 1.00 0.00 C ATOM 0 H THR A 45 3.069 3.975 -7.266 1.00 0.00 H new ATOM 0 HA THR A 45 0.668 4.209 -8.917 1.00 0.00 H new ATOM 0 HB THR A 45 2.161 6.196 -9.798 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.714 6.815 -8.183 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.439 7.568 -7.866 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.159 6.433 -8.357 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.152 6.087 -6.921 1.00 0.00 H new ATOM 732 N ASN A 46 1.934 4.183 -11.291 1.00 0.00 N ATOM 733 CA ASN A 46 2.437 3.669 -12.557 1.00 0.00 C ATOM 734 C ASN A 46 3.964 3.609 -12.543 1.00 0.00 C ATOM 735 O ASN A 46 4.567 2.655 -13.046 1.00 0.00 O ATOM 736 CB ASN A 46 1.973 4.571 -13.703 1.00 0.00 C ATOM 737 CG ASN A 46 1.906 3.776 -15.001 1.00 0.00 C ATOM 738 OD1 ASN A 46 2.897 2.993 -15.327 1.00 0.00 O flip ATOM 739 ND2 ASN A 46 0.924 3.871 -15.737 1.00 0.00 N flip ATOM 0 H ASN A 46 1.262 4.946 -11.376 1.00 0.00 H new ATOM 0 HA ASN A 46 2.046 2.662 -12.702 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.993 4.990 -13.473 1.00 0.00 H new ATOM 0 HB3 ASN A 46 2.659 5.410 -13.816 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.151 4.484 -15.479 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.883 3.336 -16.605 1.00 0.00 H new ATOM 746 N ASP A 47 4.582 4.637 -11.969 1.00 0.00 N ATOM 747 CA ASP A 47 6.037 4.700 -11.903 1.00 0.00 C ATOM 748 C ASP A 47 6.616 3.376 -11.404 1.00 0.00 C ATOM 749 O ASP A 47 7.810 3.113 -11.531 1.00 0.00 O ATOM 750 CB ASP A 47 6.476 5.834 -10.976 1.00 0.00 C ATOM 751 CG ASP A 47 6.810 7.073 -11.799 1.00 0.00 C ATOM 752 OD1 ASP A 47 6.179 8.094 -11.580 1.00 0.00 O ATOM 753 OD2 ASP A 47 7.691 6.983 -12.639 1.00 0.00 O ATOM 0 H ASP A 47 4.102 5.431 -11.546 1.00 0.00 H new ATOM 0 HA ASP A 47 6.413 4.890 -12.908 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.683 6.062 -10.264 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.346 5.526 -10.396 1.00 0.00 H new ATOM 758 N ALA A 48 5.755 2.560 -10.825 1.00 0.00 N ATOM 759 CA ALA A 48 6.153 1.262 -10.295 1.00 0.00 C ATOM 760 C ALA A 48 5.962 0.153 -11.325 1.00 0.00 C ATOM 761 O ALA A 48 6.636 -0.875 -11.278 1.00 0.00 O ATOM 762 CB ALA A 48 5.300 0.937 -9.082 1.00 0.00 C ATOM 0 H ALA A 48 4.764 2.773 -10.707 1.00 0.00 H new ATOM 0 HA ALA A 48 7.209 1.317 -10.031 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.593 -0.033 -8.681 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.444 1.703 -8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.250 0.907 -9.373 1.00 0.00 H new ATOM 768 N PHE A 49 5.013 0.362 -12.233 1.00 0.00 N ATOM 769 CA PHE A 49 4.703 -0.635 -13.253 1.00 0.00 C ATOM 770 C PHE A 49 5.817 -0.700 -14.273 1.00 0.00 C ATOM 771 O PHE A 49 6.150 -1.768 -14.793 1.00 0.00 O ATOM 772 CB PHE A 49 3.391 -0.280 -13.956 1.00 0.00 C ATOM 773 CG PHE A 49 2.220 -0.708 -13.101 1.00 0.00 C ATOM 774 CD1 PHE A 49 2.029 -0.134 -11.839 1.00 0.00 C ATOM 775 CD2 PHE A 49 1.327 -1.681 -13.570 1.00 0.00 C ATOM 776 CE1 PHE A 49 0.945 -0.529 -11.047 1.00 0.00 C ATOM 777 CE2 PHE A 49 0.242 -2.076 -12.777 1.00 0.00 C ATOM 778 CZ PHE A 49 0.052 -1.500 -11.516 1.00 0.00 C ATOM 0 H PHE A 49 4.447 1.209 -12.284 1.00 0.00 H new ATOM 0 HA PHE A 49 4.601 -1.606 -12.768 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.345 0.793 -14.140 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.343 -0.773 -14.927 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.718 0.614 -11.476 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.475 -2.126 -14.543 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.797 -0.085 -10.074 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.447 -2.825 -13.139 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.784 -1.805 -10.904 1.00 0.00 H new ATOM 788 N LYS A 50 6.392 0.452 -14.548 1.00 0.00 N ATOM 789 CA LYS A 50 7.488 0.532 -15.503 1.00 0.00 C ATOM 790 C LYS A 50 8.687 -0.271 -15.012 1.00 0.00 C ATOM 791 O LYS A 50 9.329 0.097 -14.028 1.00 0.00 O ATOM 792 CB LYS A 50 7.918 1.985 -15.707 1.00 0.00 C ATOM 793 CG LYS A 50 7.648 2.801 -14.436 1.00 0.00 C ATOM 794 CD LYS A 50 8.833 3.724 -14.141 1.00 0.00 C ATOM 795 CE LYS A 50 9.185 4.576 -15.367 1.00 0.00 C ATOM 796 NZ LYS A 50 7.981 4.766 -16.223 1.00 0.00 N ATOM 0 H LYS A 50 6.124 1.343 -14.129 1.00 0.00 H new ATOM 0 HA LYS A 50 7.135 0.119 -16.448 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.978 2.027 -15.956 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.376 2.418 -16.548 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.740 3.391 -14.559 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.481 2.131 -13.593 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.592 4.373 -13.299 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.698 3.129 -13.847 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.570 5.545 -15.048 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.976 4.092 -15.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.038 5.687 -16.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.936 4.007 -16.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.126 4.737 -15.631 1.00 0.00 H new ATOM 810 N GLY A 51 8.985 -1.367 -15.707 1.00 0.00 N ATOM 811 CA GLY A 51 10.113 -2.218 -15.339 1.00 0.00 C ATOM 812 C GLY A 51 9.661 -3.659 -15.154 1.00 0.00 C ATOM 813 O GLY A 51 10.387 -4.597 -15.486 1.00 0.00 O ATOM 0 H GLY A 51 8.464 -1.685 -16.524 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.880 -2.168 -16.112 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.566 -1.852 -14.417 1.00 0.00 H new ATOM 817 N MET A 52 8.459 -3.830 -14.614 1.00 0.00 N ATOM 818 CA MET A 52 7.923 -5.162 -14.378 1.00 0.00 C ATOM 819 C MET A 52 8.081 -6.028 -15.620 1.00 0.00 C ATOM 820 O MET A 52 7.497 -5.750 -16.668 1.00 0.00 O ATOM 821 CB MET A 52 6.433 -5.070 -13.994 1.00 0.00 C ATOM 822 CG MET A 52 6.084 -6.046 -12.856 1.00 0.00 C ATOM 823 SD MET A 52 4.676 -5.395 -11.919 1.00 0.00 S ATOM 824 CE MET A 52 5.626 -4.691 -10.548 1.00 0.00 C ATOM 0 H MET A 52 7.842 -3.067 -14.334 1.00 0.00 H new ATOM 0 HA MET A 52 8.479 -5.619 -13.559 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.197 -4.051 -13.686 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.817 -5.290 -14.866 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.841 -7.027 -13.264 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.943 -6.178 -12.198 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.943 -4.338 -9.775 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.283 -5.454 -10.131 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.225 -3.856 -10.911 1.00 0.00 H new ATOM 834 N THR A 53 8.879 -7.077 -15.488 1.00 0.00 N ATOM 835 CA THR A 53 9.115 -7.986 -16.598 1.00 0.00 C ATOM 836 C THR A 53 7.927 -8.925 -16.783 1.00 0.00 C ATOM 837 O THR A 53 7.164 -9.183 -15.845 1.00 0.00 O ATOM 838 CB THR A 53 10.384 -8.798 -16.346 1.00 0.00 C ATOM 839 OG1 THR A 53 10.075 -9.929 -15.545 1.00 0.00 O ATOM 840 CG2 THR A 53 11.404 -7.921 -15.624 1.00 0.00 C ATOM 0 H THR A 53 9.371 -7.319 -14.628 1.00 0.00 H new ATOM 0 HA THR A 53 9.239 -7.398 -17.507 1.00 0.00 H new ATOM 0 HB THR A 53 10.798 -9.135 -17.296 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.768 -10.045 -14.862 1.00 0.00 H new ATOM 0 HG21 THR A 53 12.312 -8.495 -15.441 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.640 -7.054 -16.241 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.988 -7.587 -14.673 1.00 0.00 H new ATOM 848 N SER A 54 7.780 -9.428 -18.001 1.00 0.00 N ATOM 849 CA SER A 54 6.686 -10.336 -18.315 1.00 0.00 C ATOM 850 C SER A 54 6.715 -11.540 -17.382 1.00 0.00 C ATOM 851 O SER A 54 5.673 -12.060 -16.993 1.00 0.00 O ATOM 852 CB SER A 54 6.793 -10.810 -19.765 1.00 0.00 C ATOM 853 OG SER A 54 5.493 -10.868 -20.337 1.00 0.00 O ATOM 0 H SER A 54 8.401 -9.224 -18.784 1.00 0.00 H new ATOM 0 HA SER A 54 5.745 -9.802 -18.181 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.424 -10.130 -20.337 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.265 -11.792 -19.805 1.00 0.00 H new ATOM 0 HG SER A 54 5.558 -11.170 -21.267 1.00 0.00 H new ATOM 859 N GLU A 55 7.918 -11.976 -17.027 1.00 0.00 N ATOM 860 CA GLU A 55 8.077 -13.122 -16.138 1.00 0.00 C ATOM 861 C GLU A 55 7.625 -12.776 -14.725 1.00 0.00 C ATOM 862 O GLU A 55 7.078 -13.620 -14.017 1.00 0.00 O ATOM 863 CB GLU A 55 9.539 -13.565 -16.111 1.00 0.00 C ATOM 864 CG GLU A 55 9.621 -15.012 -15.621 1.00 0.00 C ATOM 865 CD GLU A 55 9.663 -15.966 -16.809 1.00 0.00 C ATOM 866 OE1 GLU A 55 10.683 -16.610 -16.990 1.00 0.00 O ATOM 867 OE2 GLU A 55 8.675 -16.038 -17.521 1.00 0.00 O ATOM 0 H GLU A 55 8.794 -11.556 -17.339 1.00 0.00 H new ATOM 0 HA GLU A 55 7.457 -13.935 -16.516 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.975 -13.481 -17.107 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.116 -12.914 -15.455 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.511 -15.146 -15.006 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.761 -15.240 -14.992 1.00 0.00 H new ATOM 874 N GLU A 56 7.857 -11.532 -14.322 1.00 0.00 N ATOM 875 CA GLU A 56 7.468 -11.086 -12.990 1.00 0.00 C ATOM 876 C GLU A 56 5.963 -11.240 -12.792 1.00 0.00 C ATOM 877 O GLU A 56 5.505 -11.920 -11.869 1.00 0.00 O ATOM 878 CB GLU A 56 7.858 -9.615 -12.803 1.00 0.00 C ATOM 879 CG GLU A 56 8.970 -9.499 -11.760 1.00 0.00 C ATOM 880 CD GLU A 56 10.222 -10.210 -12.256 1.00 0.00 C ATOM 881 OE1 GLU A 56 10.823 -9.720 -13.199 1.00 0.00 O ATOM 882 OE2 GLU A 56 10.563 -11.234 -11.688 1.00 0.00 O ATOM 0 H GLU A 56 8.309 -10.819 -14.894 1.00 0.00 H new ATOM 0 HA GLU A 56 7.985 -11.701 -12.253 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.192 -9.195 -13.752 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.990 -9.037 -12.487 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.190 -8.449 -11.566 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.643 -9.936 -10.817 1.00 0.00 H new ATOM 889 N LYS A 57 5.194 -10.605 -13.669 1.00 0.00 N ATOM 890 CA LYS A 57 3.739 -10.682 -13.568 1.00 0.00 C ATOM 891 C LYS A 57 3.273 -12.128 -13.682 1.00 0.00 C ATOM 892 O LYS A 57 2.301 -12.530 -13.040 1.00 0.00 O ATOM 893 CB LYS A 57 3.092 -9.833 -14.663 1.00 0.00 C ATOM 894 CG LYS A 57 3.737 -10.163 -16.008 1.00 0.00 C ATOM 895 CD LYS A 57 3.042 -9.365 -17.115 1.00 0.00 C ATOM 896 CE LYS A 57 2.461 -10.320 -18.161 1.00 0.00 C ATOM 897 NZ LYS A 57 1.599 -9.553 -19.106 1.00 0.00 N ATOM 0 H LYS A 57 5.543 -10.041 -14.444 1.00 0.00 H new ATOM 0 HA LYS A 57 3.437 -10.296 -12.595 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.020 -10.027 -14.704 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.216 -8.774 -14.438 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.800 -9.922 -15.983 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.657 -11.231 -16.210 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.248 -8.752 -16.689 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.752 -8.685 -17.586 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.266 -10.815 -18.705 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.879 -11.102 -17.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.203 -10.200 -19.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.824 -9.101 -18.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.168 -8.823 -19.580 1.00 0.00 H new ATOM 911 N GLU A 58 3.974 -12.908 -14.496 1.00 0.00 N ATOM 912 CA GLU A 58 3.627 -14.311 -14.680 1.00 0.00 C ATOM 913 C GLU A 58 3.895 -15.100 -13.407 1.00 0.00 C ATOM 914 O GLU A 58 3.052 -15.857 -12.944 1.00 0.00 O ATOM 915 CB GLU A 58 4.443 -14.909 -15.823 1.00 0.00 C ATOM 916 CG GLU A 58 3.500 -15.319 -16.945 1.00 0.00 C ATOM 917 CD GLU A 58 4.294 -15.826 -18.146 1.00 0.00 C ATOM 918 OE1 GLU A 58 5.099 -15.068 -18.662 1.00 0.00 O ATOM 919 OE2 GLU A 58 4.086 -16.965 -18.531 1.00 0.00 O ATOM 0 H GLU A 58 4.781 -12.595 -15.036 1.00 0.00 H new ATOM 0 HA GLU A 58 2.565 -14.370 -14.920 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.168 -14.182 -16.188 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.007 -15.773 -15.471 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.823 -16.097 -16.594 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.884 -14.470 -17.240 1.00 0.00 H new ATOM 926 N ILE A 59 5.075 -14.923 -12.844 1.00 0.00 N ATOM 927 CA ILE A 59 5.428 -15.630 -11.627 1.00 0.00 C ATOM 928 C ILE A 59 4.372 -15.389 -10.556 1.00 0.00 C ATOM 929 O ILE A 59 4.140 -16.240 -9.697 1.00 0.00 O ATOM 930 CB ILE A 59 6.779 -15.136 -11.138 1.00 0.00 C ATOM 931 CG1 ILE A 59 7.891 -15.835 -11.922 1.00 0.00 C ATOM 932 CG2 ILE A 59 6.937 -15.443 -9.646 1.00 0.00 C ATOM 933 CD1 ILE A 59 9.148 -14.962 -11.916 1.00 0.00 C ATOM 0 H ILE A 59 5.799 -14.302 -13.205 1.00 0.00 H new ATOM 0 HA ILE A 59 5.480 -16.699 -11.832 1.00 0.00 H new ATOM 0 HB ILE A 59 6.844 -14.059 -11.291 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.108 -16.806 -11.478 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.568 -16.018 -12.947 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.908 -15.086 -9.302 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.147 -14.943 -9.086 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.869 -16.519 -9.487 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.940 -15.461 -12.475 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.926 -14.001 -12.380 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.475 -14.802 -10.889 1.00 0.00 H new ATOM 945 N LEU A 60 3.737 -14.221 -10.607 1.00 0.00 N ATOM 946 CA LEU A 60 2.710 -13.889 -9.627 1.00 0.00 C ATOM 947 C LEU A 60 1.437 -14.698 -9.874 1.00 0.00 C ATOM 948 O LEU A 60 1.006 -15.473 -9.021 1.00 0.00 O ATOM 949 CB LEU A 60 2.374 -12.399 -9.694 1.00 0.00 C ATOM 950 CG LEU A 60 2.935 -11.689 -8.463 1.00 0.00 C ATOM 951 CD1 LEU A 60 4.455 -11.855 -8.423 1.00 0.00 C ATOM 952 CD2 LEU A 60 2.586 -10.200 -8.526 1.00 0.00 C ATOM 0 H LEU A 60 3.912 -13.499 -11.306 1.00 0.00 H new ATOM 0 HA LEU A 60 3.102 -14.134 -8.640 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.793 -11.962 -10.600 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.294 -12.262 -9.744 1.00 0.00 H new ATOM 0 HG LEU A 60 2.499 -12.126 -7.565 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.853 -11.348 -7.544 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.704 -12.915 -8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.892 -11.421 -9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.987 -9.695 -7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.019 -9.762 -9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.503 -10.081 -8.550 1.00 0.00 H new ATOM 964 N ILE A 61 0.834 -14.503 -11.044 1.00 0.00 N ATOM 965 CA ILE A 61 -0.395 -15.213 -11.390 1.00 0.00 C ATOM 966 C ILE A 61 -0.128 -16.714 -11.493 1.00 0.00 C ATOM 967 O ILE A 61 -1.060 -17.513 -11.565 1.00 0.00 O ATOM 968 CB ILE A 61 -0.957 -14.692 -12.725 1.00 0.00 C ATOM 969 CG1 ILE A 61 -0.052 -15.166 -13.873 1.00 0.00 C ATOM 970 CG2 ILE A 61 -0.974 -13.153 -12.717 1.00 0.00 C ATOM 971 CD1 ILE A 61 -0.476 -16.541 -14.425 1.00 0.00 C ATOM 0 H ILE A 61 1.173 -13.865 -11.764 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.129 -15.035 -10.604 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.970 -15.071 -12.860 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.076 -14.431 -14.678 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.978 -15.221 -13.521 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.373 -12.789 -13.664 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.602 -12.800 -11.899 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.041 -12.779 -12.582 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.195 -16.831 -15.234 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.426 -17.284 -13.629 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.497 -16.482 -14.803 1.00 0.00 H new ATOM 983 N ARG A 62 1.150 -17.089 -11.502 1.00 0.00 N ATOM 984 CA ARG A 62 1.521 -18.500 -11.598 1.00 0.00 C ATOM 985 C ARG A 62 0.946 -19.281 -10.423 1.00 0.00 C ATOM 986 O ARG A 62 0.745 -20.492 -10.507 1.00 0.00 O ATOM 987 CB ARG A 62 3.046 -18.640 -11.609 1.00 0.00 C ATOM 988 CG ARG A 62 3.431 -20.110 -11.789 1.00 0.00 C ATOM 989 CD ARG A 62 4.953 -20.236 -11.906 1.00 0.00 C ATOM 990 NE ARG A 62 5.561 -20.246 -10.582 1.00 0.00 N ATOM 991 CZ ARG A 62 6.843 -20.550 -10.420 1.00 0.00 C ATOM 992 NH1 ARG A 62 7.580 -20.842 -11.456 1.00 0.00 N ATOM 993 NH2 ARG A 62 7.365 -20.558 -9.224 1.00 0.00 N ATOM 0 H ARG A 62 1.938 -16.444 -11.445 1.00 0.00 H new ATOM 0 HA ARG A 62 1.114 -18.903 -12.525 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.469 -18.042 -12.416 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.462 -18.257 -10.677 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.072 -20.696 -10.943 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.954 -20.514 -12.682 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.209 -21.152 -12.439 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.350 -19.406 -12.490 1.00 0.00 H new ATOM 0 HE ARG A 62 4.993 -20.016 -9.767 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.171 -20.837 -12.390 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.565 -21.076 -11.332 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.788 -20.331 -8.414 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.350 -20.792 -9.099 1.00 0.00 H new ATOM 1007 N ASP A 63 0.678 -18.579 -9.329 1.00 0.00 N ATOM 1008 CA ASP A 63 0.122 -19.217 -8.145 1.00 0.00 C ATOM 1009 C ASP A 63 -0.895 -18.302 -7.485 1.00 0.00 C ATOM 1010 O ASP A 63 -0.637 -17.116 -7.287 1.00 0.00 O ATOM 1011 CB ASP A 63 1.234 -19.548 -7.151 1.00 0.00 C ATOM 1012 CG ASP A 63 1.417 -21.059 -7.068 1.00 0.00 C ATOM 1013 OD1 ASP A 63 2.239 -21.576 -7.805 1.00 0.00 O ATOM 1014 OD2 ASP A 63 0.732 -21.676 -6.269 1.00 0.00 O ATOM 0 H ASP A 63 0.836 -17.575 -9.238 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.371 -20.140 -8.449 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.166 -19.076 -7.463 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.987 -19.147 -6.168 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.051 -18.856 -7.154 1.00 0.00 N ATOM 1020 CA LYS A 64 -3.094 -18.066 -6.517 1.00 0.00 C ATOM 1021 C LYS A 64 -2.571 -17.474 -5.219 1.00 0.00 C ATOM 1022 O LYS A 64 -2.827 -16.318 -4.914 1.00 0.00 O ATOM 1023 CB LYS A 64 -4.335 -18.946 -6.239 1.00 0.00 C ATOM 1024 CG LYS A 64 -5.223 -18.382 -5.093 1.00 0.00 C ATOM 1025 CD LYS A 64 -5.902 -17.084 -5.556 1.00 0.00 C ATOM 1026 CE LYS A 64 -7.018 -17.410 -6.567 1.00 0.00 C ATOM 1027 NZ LYS A 64 -6.599 -16.993 -7.934 1.00 0.00 N ATOM 0 H LYS A 64 -2.289 -19.835 -7.313 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.384 -17.256 -7.186 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.930 -19.027 -7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.011 -19.954 -5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.976 -19.117 -4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.615 -18.190 -4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.319 -16.555 -4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.167 -16.421 -6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.233 -18.478 -6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.937 -16.896 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.122 -17.548 -8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.804 -15.982 -8.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.579 -17.158 -8.050 1.00 0.00 H new ATOM 1041 N ASN A 65 -1.879 -18.291 -4.442 1.00 0.00 N ATOM 1042 CA ASN A 65 -1.372 -17.846 -3.155 1.00 0.00 C ATOM 1043 C ASN A 65 -0.273 -16.805 -3.321 1.00 0.00 C ATOM 1044 O ASN A 65 -0.065 -15.963 -2.444 1.00 0.00 O ATOM 1045 CB ASN A 65 -0.839 -19.040 -2.362 1.00 0.00 C ATOM 1046 CG ASN A 65 -1.892 -19.517 -1.361 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -2.342 -20.661 -1.434 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -2.314 -18.707 -0.427 1.00 0.00 N ATOM 0 H ASN A 65 -1.657 -19.258 -4.677 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.196 -17.385 -2.611 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.578 -19.851 -3.042 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.073 -18.759 -1.836 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.016 -19.022 0.242 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.941 -17.760 -0.367 1.00 0.00 H new ATOM 1055 N ALA A 66 0.430 -16.872 -4.442 1.00 0.00 N ATOM 1056 CA ALA A 66 1.522 -15.941 -4.702 1.00 0.00 C ATOM 1057 C ALA A 66 1.004 -14.527 -4.932 1.00 0.00 C ATOM 1058 O ALA A 66 1.315 -13.596 -4.174 1.00 0.00 O ATOM 1059 CB ALA A 66 2.289 -16.399 -5.940 1.00 0.00 C ATOM 0 H ALA A 66 0.267 -17.555 -5.182 1.00 0.00 H new ATOM 0 HA ALA A 66 2.175 -15.930 -3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.107 -15.706 -6.139 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.693 -17.397 -5.769 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.616 -16.421 -6.797 1.00 0.00 H new ATOM 1065 N LEU A 67 0.202 -14.364 -5.973 1.00 0.00 N ATOM 1066 CA LEU A 67 -0.338 -13.055 -6.255 1.00 0.00 C ATOM 1067 C LEU A 67 -1.145 -12.583 -5.054 1.00 0.00 C ATOM 1068 O LEU A 67 -1.233 -11.390 -4.793 1.00 0.00 O ATOM 1069 CB LEU A 67 -1.194 -13.074 -7.550 1.00 0.00 C ATOM 1070 CG LEU A 67 -2.704 -13.008 -7.241 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -3.482 -12.793 -8.536 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -3.149 -14.313 -6.590 1.00 0.00 C ATOM 0 H LEU A 67 -0.080 -15.103 -6.617 1.00 0.00 H new ATOM 0 HA LEU A 67 0.478 -12.353 -6.428 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.915 -12.231 -8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.978 -13.981 -8.115 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.898 -12.179 -6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.549 -12.747 -8.316 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.166 -11.858 -8.999 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.288 -13.620 -9.219 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.216 -14.266 -6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.954 -15.143 -7.269 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.596 -14.464 -5.663 1.00 0.00 H new ATOM 1084 N GLN A 68 -1.780 -13.520 -4.355 1.00 0.00 N ATOM 1085 CA GLN A 68 -2.622 -13.150 -3.227 1.00 0.00 C ATOM 1086 C GLN A 68 -1.799 -12.446 -2.155 1.00 0.00 C ATOM 1087 O GLN A 68 -2.158 -11.363 -1.660 1.00 0.00 O ATOM 1088 CB GLN A 68 -3.305 -14.381 -2.628 1.00 0.00 C ATOM 1089 CG GLN A 68 -4.783 -14.454 -3.069 1.00 0.00 C ATOM 1090 CD GLN A 68 -5.624 -13.525 -2.219 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -5.537 -12.244 -2.426 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -6.370 -13.971 -1.349 1.00 0.00 N flip ATOM 0 H GLN A 68 -1.729 -14.521 -4.546 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.390 -12.468 -3.593 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.781 -15.283 -2.944 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.246 -14.342 -1.540 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.871 -14.179 -4.120 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.149 -15.477 -2.976 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.430 -14.978 -1.196 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.929 -13.334 -0.781 1.00 0.00 H new ATOM 1101 N ASN A 69 -0.687 -13.071 -1.800 1.00 0.00 N ATOM 1102 CA ASN A 69 0.190 -12.514 -0.794 1.00 0.00 C ATOM 1103 C ASN A 69 0.614 -11.114 -1.200 1.00 0.00 C ATOM 1104 O ASN A 69 0.694 -10.214 -0.364 1.00 0.00 O ATOM 1105 CB ASN A 69 1.422 -13.403 -0.627 1.00 0.00 C ATOM 1106 CG ASN A 69 2.658 -12.688 -1.154 1.00 0.00 C ATOM 1107 OD1 ASN A 69 3.340 -11.990 -0.404 1.00 0.00 O ATOM 1108 ND2 ASN A 69 2.987 -12.824 -2.408 1.00 0.00 N ATOM 0 H ASN A 69 -0.376 -13.959 -2.194 1.00 0.00 H new ATOM 0 HA ASN A 69 -0.343 -12.464 0.156 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.559 -13.655 0.425 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.279 -14.341 -1.163 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.814 -12.351 -2.773 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.418 -13.404 -3.025 1.00 0.00 H new ATOM 1115 N ILE A 70 0.880 -10.933 -2.490 1.00 0.00 N ATOM 1116 CA ILE A 70 1.292 -9.623 -2.983 1.00 0.00 C ATOM 1117 C ILE A 70 0.086 -8.709 -3.172 1.00 0.00 C ATOM 1118 O ILE A 70 0.190 -7.494 -3.020 1.00 0.00 O ATOM 1119 CB ILE A 70 2.039 -9.771 -4.307 1.00 0.00 C ATOM 1120 CG1 ILE A 70 3.480 -10.225 -4.041 1.00 0.00 C ATOM 1121 CG2 ILE A 70 2.051 -8.424 -5.038 1.00 0.00 C ATOM 1122 CD1 ILE A 70 3.847 -11.353 -5.004 1.00 0.00 C ATOM 0 H ILE A 70 0.819 -11.662 -3.201 1.00 0.00 H new ATOM 0 HA ILE A 70 1.954 -9.175 -2.243 1.00 0.00 H new ATOM 0 HB ILE A 70 1.537 -10.516 -4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.165 -9.387 -4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.581 -10.566 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.584 -8.528 -5.983 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.027 -8.106 -5.232 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.551 -7.679 -4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.871 -11.675 -4.814 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.169 -12.193 -4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.763 -10.997 -6.031 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.058 -9.293 -3.495 1.00 0.00 N ATOM 1135 CA ILE A 71 -2.267 -8.504 -3.690 1.00 0.00 C ATOM 1136 C ILE A 71 -2.494 -7.612 -2.486 1.00 0.00 C ATOM 1137 O ILE A 71 -2.785 -6.429 -2.628 1.00 0.00 O ATOM 1138 CB ILE A 71 -3.476 -9.430 -3.876 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -3.676 -9.747 -5.359 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -4.758 -8.800 -3.306 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -4.482 -8.636 -6.018 1.00 0.00 C ATOM 0 H ILE A 71 -1.176 -10.298 -3.627 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.148 -7.889 -4.582 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.274 -10.352 -3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.709 -9.850 -5.852 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.193 -10.700 -5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.595 -9.482 -3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.628 -8.611 -2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.961 -7.860 -3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.622 -8.866 -7.074 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.454 -8.555 -5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.947 -7.691 -5.920 1.00 0.00 H new ATOM 1153 N LEU A 72 -2.383 -8.181 -1.294 1.00 0.00 N ATOM 1154 CA LEU A 72 -2.604 -7.386 -0.095 1.00 0.00 C ATOM 1155 C LEU A 72 -1.634 -6.217 -0.026 1.00 0.00 C ATOM 1156 O LEU A 72 -1.758 -5.348 0.837 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.439 -8.251 1.137 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.431 -9.406 1.061 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -2.682 -10.709 1.303 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.523 -9.210 2.122 1.00 0.00 C ATOM 0 H LEU A 72 -2.148 -9.160 -1.132 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.620 -6.992 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.420 -8.632 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.613 -7.662 2.038 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.902 -9.438 0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.380 -11.545 1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.911 -10.832 0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.218 -10.684 2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.234 -10.035 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.068 -9.186 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.044 -8.270 1.939 1.00 0.00 H new ATOM 1172 N TYR A 73 -0.666 -6.204 -0.932 1.00 0.00 N ATOM 1173 CA TYR A 73 0.327 -5.140 -0.961 1.00 0.00 C ATOM 1174 C TYR A 73 0.794 -4.791 0.445 1.00 0.00 C ATOM 1175 O TYR A 73 0.944 -3.615 0.775 1.00 0.00 O ATOM 1176 CB TYR A 73 -0.251 -3.893 -1.626 1.00 0.00 C ATOM 1177 CG TYR A 73 -0.529 -4.191 -3.077 1.00 0.00 C ATOM 1178 CD1 TYR A 73 0.531 -4.466 -3.952 1.00 0.00 C ATOM 1179 CD2 TYR A 73 -1.844 -4.206 -3.549 1.00 0.00 C ATOM 1180 CE1 TYR A 73 0.271 -4.757 -5.296 1.00 0.00 C ATOM 1181 CE2 TYR A 73 -2.103 -4.495 -4.891 1.00 0.00 C ATOM 1182 CZ TYR A 73 -1.047 -4.772 -5.765 1.00 0.00 C ATOM 1183 OH TYR A 73 -1.304 -5.064 -7.088 1.00 0.00 O ATOM 0 H TYR A 73 -0.548 -6.915 -1.654 1.00 0.00 H new ATOM 0 HA TYR A 73 1.181 -5.497 -1.537 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.169 -3.589 -1.122 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.450 -3.062 -1.540 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.548 -4.453 -3.589 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.661 -3.994 -2.876 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.087 -4.970 -5.971 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.120 -4.505 -5.254 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.613 -5.669 -7.430 1.00 0.00 H new ATOM 1193 N HIS A 74 1.022 -5.818 1.268 1.00 0.00 N ATOM 1194 CA HIS A 74 1.480 -5.607 2.639 1.00 0.00 C ATOM 1195 C HIS A 74 0.443 -4.831 3.438 1.00 0.00 C ATOM 1196 O HIS A 74 0.764 -3.843 4.095 1.00 0.00 O ATOM 1197 CB HIS A 74 2.820 -4.861 2.644 1.00 0.00 C ATOM 1198 CG HIS A 74 3.821 -5.655 1.852 1.00 0.00 C ATOM 1199 ND1 HIS A 74 3.619 -5.991 0.521 1.00 0.00 N ATOM 1200 CD2 HIS A 74 5.030 -6.200 2.197 1.00 0.00 C ATOM 1201 CE1 HIS A 74 4.683 -6.708 0.120 1.00 0.00 C ATOM 1202 NE2 HIS A 74 5.575 -6.864 1.102 1.00 0.00 N ATOM 0 H HIS A 74 0.897 -6.797 1.009 1.00 0.00 H new ATOM 0 HA HIS A 74 1.619 -6.581 3.108 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.700 -3.867 2.212 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.171 -4.724 3.667 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.490 -6.126 3.171 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.802 -7.109 -0.876 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.464 -7.362 1.059 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.807 -5.287 3.391 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.861 -4.612 4.134 1.00 0.00 C ATOM 1213 C LEU A 75 -1.594 -4.750 5.620 1.00 0.00 C ATOM 1214 O LEU A 75 -1.498 -5.866 6.123 1.00 0.00 O ATOM 1215 CB LEU A 75 -3.226 -5.229 3.802 1.00 0.00 C ATOM 1216 CG LEU A 75 -4.284 -4.819 4.841 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -4.368 -3.298 4.937 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -5.641 -5.370 4.405 1.00 0.00 C ATOM 0 H LEU A 75 -1.108 -6.103 2.858 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.873 -3.558 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.542 -4.908 2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.141 -6.315 3.774 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.007 -5.220 5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.120 -3.021 5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.400 -2.898 5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.644 -2.887 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.400 -5.086 5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.903 -4.961 3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.589 -6.457 4.340 1.00 0.00 H new ATOM 1230 N THR A 76 -1.499 -3.625 6.322 1.00 0.00 N ATOM 1231 CA THR A 76 -1.259 -3.674 7.760 1.00 0.00 C ATOM 1232 C THR A 76 -2.508 -3.245 8.537 1.00 0.00 C ATOM 1233 O THR A 76 -3.341 -2.540 7.987 1.00 0.00 O ATOM 1234 CB THR A 76 -0.075 -2.762 8.107 1.00 0.00 C ATOM 1235 OG1 THR A 76 0.915 -3.522 8.776 1.00 0.00 O ATOM 1236 CG2 THR A 76 -0.497 -1.598 9.019 1.00 0.00 C ATOM 0 H THR A 76 -1.582 -2.687 5.929 1.00 0.00 H new ATOM 0 HA THR A 76 -1.024 -4.699 8.045 1.00 0.00 H new ATOM 0 HB THR A 76 0.310 -2.347 7.176 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.730 -2.986 8.871 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.371 -0.977 9.241 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.254 -0.997 8.515 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.907 -1.994 9.948 1.00 0.00 H new ATOM 1244 N PRO A 77 -2.644 -3.619 9.803 1.00 0.00 N ATOM 1245 CA PRO A 77 -3.804 -3.216 10.647 1.00 0.00 C ATOM 1246 C PRO A 77 -3.513 -1.954 11.452 1.00 0.00 C ATOM 1247 O PRO A 77 -2.363 -1.666 11.794 1.00 0.00 O ATOM 1248 CB PRO A 77 -3.985 -4.430 11.583 1.00 0.00 C ATOM 1249 CG PRO A 77 -2.784 -5.314 11.364 1.00 0.00 C ATOM 1250 CD PRO A 77 -1.764 -4.472 10.605 1.00 0.00 C ATOM 0 HA PRO A 77 -4.689 -2.978 10.057 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.050 -4.113 12.624 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.908 -4.963 11.354 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.375 -5.656 12.315 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.055 -6.203 10.795 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.128 -3.893 11.274 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.105 -5.081 9.986 1.00 0.00 H new ATOM 1258 N GLY A 78 -4.564 -1.201 11.747 1.00 0.00 N ATOM 1259 CA GLY A 78 -4.415 0.030 12.500 1.00 0.00 C ATOM 1260 C GLY A 78 -3.583 1.037 11.724 1.00 0.00 C ATOM 1261 O GLY A 78 -2.506 0.714 11.222 1.00 0.00 O ATOM 0 H GLY A 78 -5.522 -1.422 11.477 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.397 0.451 12.716 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.940 -0.179 13.459 1.00 0.00 H new ATOM 1265 N VAL A 79 -4.098 2.250 11.623 1.00 0.00 N ATOM 1266 CA VAL A 79 -3.403 3.305 10.896 1.00 0.00 C ATOM 1267 C VAL A 79 -1.935 3.357 11.318 1.00 0.00 C ATOM 1268 O VAL A 79 -1.604 3.178 12.490 1.00 0.00 O ATOM 1269 CB VAL A 79 -4.068 4.659 11.170 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -5.449 4.712 10.505 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -4.233 4.857 12.679 1.00 0.00 C ATOM 0 H VAL A 79 -4.989 2.531 12.032 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.459 3.089 9.829 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.438 5.448 10.760 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.913 5.678 10.706 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.340 4.579 9.429 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.077 3.917 10.907 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.706 5.820 12.870 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.856 4.060 13.085 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.254 4.832 13.158 1.00 0.00 H new ATOM 1281 N PHE A 80 -1.060 3.589 10.345 1.00 0.00 N ATOM 1282 CA PHE A 80 0.371 3.649 10.613 1.00 0.00 C ATOM 1283 C PHE A 80 0.789 5.060 11.002 1.00 0.00 C ATOM 1284 O PHE A 80 0.391 6.034 10.364 1.00 0.00 O ATOM 1285 CB PHE A 80 1.148 3.213 9.374 1.00 0.00 C ATOM 1286 CG PHE A 80 2.057 4.333 8.925 1.00 0.00 C ATOM 1287 CD1 PHE A 80 1.628 5.228 7.938 1.00 0.00 C ATOM 1288 CD2 PHE A 80 3.325 4.481 9.500 1.00 0.00 C ATOM 1289 CE1 PHE A 80 2.467 6.267 7.522 1.00 0.00 C ATOM 1290 CE2 PHE A 80 4.165 5.521 9.083 1.00 0.00 C ATOM 1291 CZ PHE A 80 3.735 6.416 8.095 1.00 0.00 C ATOM 0 H PHE A 80 -1.316 3.738 9.369 1.00 0.00 H new ATOM 0 HA PHE A 80 0.593 2.977 11.442 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.735 2.322 9.596 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.457 2.949 8.573 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.648 5.116 7.497 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.655 3.793 10.265 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.136 6.955 6.758 1.00 0.00 H new ATOM 0 HE2 PHE A 80 5.145 5.633 9.523 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.381 7.220 7.776 1.00 0.00 H new ATOM 1301 N ILE A 81 1.597 5.155 12.053 1.00 0.00 N ATOM 1302 CA ILE A 81 2.076 6.448 12.533 1.00 0.00 C ATOM 1303 C ILE A 81 3.596 6.450 12.612 1.00 0.00 C ATOM 1304 O ILE A 81 4.222 5.398 12.738 1.00 0.00 O ATOM 1305 CB ILE A 81 1.506 6.743 13.923 1.00 0.00 C ATOM 1306 CG1 ILE A 81 0.084 6.190 14.015 1.00 0.00 C ATOM 1307 CG2 ILE A 81 1.483 8.253 14.162 1.00 0.00 C ATOM 1308 CD1 ILE A 81 -0.562 6.632 15.330 1.00 0.00 C ATOM 0 H ILE A 81 1.934 4.355 12.588 1.00 0.00 H new ATOM 0 HA ILE A 81 1.745 7.215 11.833 1.00 0.00 H new ATOM 0 HB ILE A 81 2.133 6.269 14.679 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.509 6.544 13.171 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.103 5.102 13.957 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.077 8.458 15.152 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.497 8.647 14.097 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.859 8.731 13.407 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.575 6.235 15.389 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.025 6.256 16.168 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.596 7.721 15.371 1.00 0.00 H new ATOM 1320 N GLY A 82 4.182 7.638 12.556 1.00 0.00 N ATOM 1321 CA GLY A 82 5.630 7.763 12.640 1.00 0.00 C ATOM 1322 C GLY A 82 6.156 7.188 13.954 1.00 0.00 C ATOM 1323 O GLY A 82 7.337 7.323 14.270 1.00 0.00 O ATOM 0 H GLY A 82 3.682 8.521 12.454 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.092 7.243 11.801 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.913 8.813 12.560 1.00 0.00 H new ATOM 1327 N LYS A 83 5.270 6.547 14.720 1.00 0.00 N ATOM 1328 CA LYS A 83 5.656 5.956 15.994 1.00 0.00 C ATOM 1329 C LYS A 83 6.379 6.977 16.849 1.00 0.00 C ATOM 1330 O LYS A 83 7.186 6.630 17.711 1.00 0.00 O ATOM 1331 CB LYS A 83 6.567 4.761 15.757 1.00 0.00 C ATOM 1332 CG LYS A 83 5.742 3.587 15.229 1.00 0.00 C ATOM 1333 CD LYS A 83 5.320 2.680 16.391 1.00 0.00 C ATOM 1334 CE LYS A 83 4.549 1.476 15.850 1.00 0.00 C ATOM 1335 NZ LYS A 83 4.414 0.453 16.926 1.00 0.00 N ATOM 0 H LYS A 83 4.286 6.427 14.478 1.00 0.00 H new ATOM 0 HA LYS A 83 4.755 5.629 16.512 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.347 5.021 15.042 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.066 4.481 16.685 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.860 3.957 14.707 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.325 3.018 14.505 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.199 2.344 16.941 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.699 3.237 17.093 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.564 1.787 15.502 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.070 1.051 14.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.890 -0.368 16.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.359 0.150 17.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.899 0.862 17.732 1.00 0.00 H new ATOM 1349 N GLY A 84 6.081 8.240 16.598 1.00 0.00 N ATOM 1350 CA GLY A 84 6.709 9.322 17.349 1.00 0.00 C ATOM 1351 C GLY A 84 8.221 9.124 17.430 1.00 0.00 C ATOM 1352 O GLY A 84 8.877 9.635 18.339 1.00 0.00 O ATOM 0 H GLY A 84 5.415 8.544 15.888 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.488 10.277 16.872 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.289 9.364 18.354 1.00 0.00 H new ATOM 1356 N PHE A 85 8.767 8.377 16.477 1.00 0.00 N ATOM 1357 CA PHE A 85 10.202 8.109 16.444 1.00 0.00 C ATOM 1358 C PHE A 85 10.952 9.288 15.840 1.00 0.00 C ATOM 1359 O PHE A 85 10.341 10.242 15.361 1.00 0.00 O ATOM 1360 CB PHE A 85 10.484 6.854 15.619 1.00 0.00 C ATOM 1361 CG PHE A 85 11.035 5.768 16.517 1.00 0.00 C ATOM 1362 CD1 PHE A 85 10.308 4.587 16.718 1.00 0.00 C ATOM 1363 CD2 PHE A 85 12.273 5.941 17.151 1.00 0.00 C ATOM 1364 CE1 PHE A 85 10.819 3.583 17.549 1.00 0.00 C ATOM 1365 CE2 PHE A 85 12.783 4.937 17.981 1.00 0.00 C ATOM 1366 CZ PHE A 85 12.055 3.758 18.180 1.00 0.00 C ATOM 0 H PHE A 85 8.240 7.946 15.718 1.00 0.00 H new ATOM 0 HA PHE A 85 10.544 7.956 17.468 1.00 0.00 H new ATOM 0 HB2 PHE A 85 9.569 6.511 15.136 1.00 0.00 H new ATOM 0 HB3 PHE A 85 11.197 7.081 14.826 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.353 4.451 16.232 1.00 0.00 H new ATOM 0 HD2 PHE A 85 12.834 6.851 16.998 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.259 2.673 17.703 1.00 0.00 H new ATOM 0 HE2 PHE A 85 13.738 5.071 18.468 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.448 2.983 18.821 1.00 0.00 H new ATOM 1376 N GLU A 86 12.279 9.220 15.863 1.00 0.00 N ATOM 1377 CA GLU A 86 13.089 10.299 15.312 1.00 0.00 C ATOM 1378 C GLU A 86 13.318 10.094 13.811 1.00 0.00 C ATOM 1379 O GLU A 86 13.452 8.958 13.342 1.00 0.00 O ATOM 1380 CB GLU A 86 14.437 10.391 16.057 1.00 0.00 C ATOM 1381 CG GLU A 86 15.626 10.295 15.080 1.00 0.00 C ATOM 1382 CD GLU A 86 16.945 10.394 15.845 1.00 0.00 C ATOM 1383 OE1 GLU A 86 17.976 10.516 15.197 1.00 0.00 O ATOM 1384 OE2 GLU A 86 16.910 10.345 17.062 1.00 0.00 O ATOM 0 H GLU A 86 12.810 8.441 16.252 1.00 0.00 H new ATOM 0 HA GLU A 86 12.551 11.237 15.449 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.489 11.332 16.604 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.503 9.590 16.793 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.583 9.352 14.535 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.565 11.094 14.341 1.00 0.00 H new ATOM 1391 N PRO A 87 13.400 11.161 13.055 1.00 0.00 N ATOM 1392 CA PRO A 87 13.653 11.076 11.594 1.00 0.00 C ATOM 1393 C PRO A 87 15.068 10.588 11.288 1.00 0.00 C ATOM 1394 O PRO A 87 16.051 11.213 11.694 1.00 0.00 O ATOM 1395 CB PRO A 87 13.457 12.510 11.097 1.00 0.00 C ATOM 1396 CG PRO A 87 13.698 13.373 12.288 1.00 0.00 C ATOM 1397 CD PRO A 87 13.255 12.562 13.499 1.00 0.00 C ATOM 0 HA PRO A 87 12.988 10.361 11.108 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.153 12.746 10.292 1.00 0.00 H new ATOM 0 HB3 PRO A 87 12.452 12.656 10.702 1.00 0.00 H new ATOM 0 HG2 PRO A 87 14.751 13.644 12.365 1.00 0.00 H new ATOM 0 HG3 PRO A 87 13.134 14.303 12.215 1.00 0.00 H new ATOM 0 HD2 PRO A 87 13.875 12.772 14.370 1.00 0.00 H new ATOM 0 HD3 PRO A 87 12.226 12.789 13.778 1.00 0.00 H new ATOM 1405 N GLY A 88 15.161 9.473 10.573 1.00 0.00 N ATOM 1406 CA GLY A 88 16.459 8.908 10.214 1.00 0.00 C ATOM 1407 C GLY A 88 16.546 7.439 10.615 1.00 0.00 C ATOM 1408 O GLY A 88 17.295 6.670 10.011 1.00 0.00 O ATOM 0 H GLY A 88 14.359 8.944 10.231 1.00 0.00 H new ATOM 0 HA2 GLY A 88 16.617 9.005 9.140 1.00 0.00 H new ATOM 0 HA3 GLY A 88 17.253 9.470 10.706 1.00 0.00 H new ATOM 1412 N VAL A 89 15.781 7.050 11.631 1.00 0.00 N ATOM 1413 CA VAL A 89 15.803 5.665 12.083 1.00 0.00 C ATOM 1414 C VAL A 89 14.765 4.834 11.337 1.00 0.00 C ATOM 1415 O VAL A 89 13.704 5.337 10.968 1.00 0.00 O ATOM 1416 CB VAL A 89 15.523 5.611 13.581 1.00 0.00 C ATOM 1417 CG1 VAL A 89 16.622 6.365 14.331 1.00 0.00 C ATOM 1418 CG2 VAL A 89 14.168 6.263 13.865 1.00 0.00 C ATOM 0 H VAL A 89 15.150 7.662 12.148 1.00 0.00 H new ATOM 0 HA VAL A 89 16.790 5.250 11.878 1.00 0.00 H new ATOM 0 HB VAL A 89 15.505 4.573 13.914 1.00 0.00 H new ATOM 0 HG11 VAL A 89 16.423 6.327 15.402 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.587 5.902 14.124 1.00 0.00 H new ATOM 0 HG13 VAL A 89 16.640 7.404 14.002 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.964 6.227 14.935 1.00 0.00 H new ATOM 0 HG22 VAL A 89 14.188 7.302 13.534 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.386 5.726 13.328 1.00 0.00 H new ATOM 1428 N THR A 90 15.075 3.559 11.123 1.00 0.00 N ATOM 1429 CA THR A 90 14.156 2.668 10.424 1.00 0.00 C ATOM 1430 C THR A 90 13.271 1.932 11.428 1.00 0.00 C ATOM 1431 O THR A 90 13.716 1.596 12.526 1.00 0.00 O ATOM 1432 CB THR A 90 14.938 1.651 9.589 1.00 0.00 C ATOM 1433 OG1 THR A 90 16.260 2.126 9.382 1.00 0.00 O ATOM 1434 CG2 THR A 90 14.245 1.454 8.239 1.00 0.00 C ATOM 0 H THR A 90 15.948 3.123 11.421 1.00 0.00 H new ATOM 0 HA THR A 90 13.528 3.266 9.763 1.00 0.00 H new ATOM 0 HB THR A 90 14.974 0.698 10.117 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.762 1.475 8.849 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.803 0.730 7.646 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.231 1.087 8.400 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.206 2.405 7.708 1.00 0.00 H new ATOM 1442 N ASN A 91 12.019 1.687 11.046 1.00 0.00 N ATOM 1443 CA ASN A 91 11.077 0.990 11.920 1.00 0.00 C ATOM 1444 C ASN A 91 10.501 -0.239 11.218 1.00 0.00 C ATOM 1445 O ASN A 91 10.085 -0.169 10.062 1.00 0.00 O ATOM 1446 CB ASN A 91 9.941 1.934 12.316 1.00 0.00 C ATOM 1447 CG ASN A 91 10.364 3.384 12.088 1.00 0.00 C ATOM 1448 OD1 ASN A 91 10.180 3.917 10.995 1.00 0.00 O ATOM 1449 ND2 ASN A 91 10.923 4.060 13.058 1.00 0.00 N ATOM 0 H ASN A 91 11.634 1.959 10.141 1.00 0.00 H new ATOM 0 HA ASN A 91 11.609 0.665 12.814 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.050 1.710 11.730 1.00 0.00 H new ATOM 0 HB3 ASN A 91 9.680 1.783 13.363 1.00 0.00 H new ATOM 0 HD21 ASN A 91 11.206 5.028 12.908 1.00 0.00 H new ATOM 0 HD22 ASN A 91 11.076 3.619 13.965 1.00 0.00 H new ATOM 1456 N ILE A 92 10.483 -1.364 11.928 1.00 0.00 N ATOM 1457 CA ILE A 92 9.959 -2.610 11.372 1.00 0.00 C ATOM 1458 C ILE A 92 8.489 -2.772 11.741 1.00 0.00 C ATOM 1459 O ILE A 92 8.118 -2.680 12.912 1.00 0.00 O ATOM 1460 CB ILE A 92 10.758 -3.801 11.910 1.00 0.00 C ATOM 1461 CG1 ILE A 92 12.233 -3.403 12.093 1.00 0.00 C ATOM 1462 CG2 ILE A 92 10.657 -4.972 10.929 1.00 0.00 C ATOM 1463 CD1 ILE A 92 12.820 -2.889 10.773 1.00 0.00 C ATOM 0 H ILE A 92 10.824 -1.439 12.886 1.00 0.00 H new ATOM 0 HA ILE A 92 10.053 -2.575 10.287 1.00 0.00 H new ATOM 0 HB ILE A 92 10.348 -4.101 12.875 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.315 -2.632 12.859 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.806 -4.261 12.443 1.00 0.00 H new ATOM 0 HG21 ILE A 92 11.226 -5.819 11.313 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.612 -5.260 10.812 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.061 -4.672 9.962 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.864 -2.612 10.922 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.757 -3.672 10.017 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.258 -2.017 10.440 1.00 0.00 H new ATOM 1475 N LEU A 93 7.658 -3.009 10.733 1.00 0.00 N ATOM 1476 CA LEU A 93 6.227 -3.175 10.959 1.00 0.00 C ATOM 1477 C LEU A 93 5.723 -4.444 10.292 1.00 0.00 C ATOM 1478 O LEU A 93 6.097 -4.755 9.169 1.00 0.00 O ATOM 1479 CB LEU A 93 5.457 -1.971 10.400 1.00 0.00 C ATOM 1480 CG LEU A 93 5.550 -0.775 11.364 1.00 0.00 C ATOM 1481 CD1 LEU A 93 6.904 -0.060 11.227 1.00 0.00 C ATOM 1482 CD2 LEU A 93 4.426 0.213 11.043 1.00 0.00 C ATOM 0 H LEU A 93 7.947 -3.090 9.758 1.00 0.00 H new ATOM 0 HA LEU A 93 6.061 -3.246 12.034 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.862 -1.693 9.427 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.412 -2.240 10.245 1.00 0.00 H new ATOM 0 HG LEU A 93 5.455 -1.143 12.386 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.943 0.781 11.919 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.709 -0.758 11.458 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.021 0.304 10.206 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.485 1.064 11.722 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.530 0.561 10.015 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.462 -0.281 11.163 1.00 0.00 H new ATOM 1494 N LYS A 94 4.868 -5.168 11.000 1.00 0.00 N ATOM 1495 CA LYS A 94 4.312 -6.404 10.476 1.00 0.00 C ATOM 1496 C LYS A 94 2.957 -6.145 9.836 1.00 0.00 C ATOM 1497 O LYS A 94 2.124 -5.434 10.398 1.00 0.00 O ATOM 1498 CB LYS A 94 4.159 -7.422 11.603 1.00 0.00 C ATOM 1499 CG LYS A 94 5.520 -7.682 12.247 1.00 0.00 C ATOM 1500 CD LYS A 94 5.700 -9.181 12.485 1.00 0.00 C ATOM 1501 CE LYS A 94 7.051 -9.434 13.156 1.00 0.00 C ATOM 1502 NZ LYS A 94 8.147 -8.990 12.249 1.00 0.00 N ATOM 0 H LYS A 94 4.546 -4.921 11.936 1.00 0.00 H new ATOM 0 HA LYS A 94 4.991 -6.799 9.720 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.457 -7.050 12.350 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.746 -8.352 11.213 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.315 -7.308 11.602 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.595 -7.143 13.191 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.894 -9.559 13.113 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.646 -9.719 11.539 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.106 -8.895 14.102 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.162 -10.494 13.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.037 -9.451 12.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.914 -9.251 11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.256 -7.958 12.316 1.00 0.00 H new ATOM 1516 N THR A 95 2.744 -6.728 8.660 1.00 0.00 N ATOM 1517 CA THR A 95 1.483 -6.553 7.953 1.00 0.00 C ATOM 1518 C THR A 95 0.724 -7.874 7.862 1.00 0.00 C ATOM 1519 O THR A 95 1.267 -8.938 8.162 1.00 0.00 O ATOM 1520 CB THR A 95 1.735 -5.997 6.549 1.00 0.00 C ATOM 1521 OG1 THR A 95 2.264 -7.021 5.717 1.00 0.00 O ATOM 1522 CG2 THR A 95 2.722 -4.832 6.626 1.00 0.00 C ATOM 0 H THR A 95 3.423 -7.320 8.181 1.00 0.00 H new ATOM 0 HA THR A 95 0.875 -5.843 8.513 1.00 0.00 H new ATOM 0 HB THR A 95 0.794 -5.642 6.128 1.00 0.00 H new ATOM 0 HG1 THR A 95 2.846 -6.622 5.037 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.899 -4.439 5.625 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.308 -4.046 7.257 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.663 -5.180 7.051 1.00 0.00 H new ATOM 1530 N THR A 96 -0.537 -7.795 7.449 1.00 0.00 N ATOM 1531 CA THR A 96 -1.374 -8.984 7.324 1.00 0.00 C ATOM 1532 C THR A 96 -0.811 -9.938 6.273 1.00 0.00 C ATOM 1533 O THR A 96 -1.017 -11.149 6.352 1.00 0.00 O ATOM 1534 CB THR A 96 -2.810 -8.584 6.948 1.00 0.00 C ATOM 1535 OG1 THR A 96 -3.719 -9.474 7.577 1.00 0.00 O ATOM 1536 CG2 THR A 96 -3.005 -8.651 5.430 1.00 0.00 C ATOM 0 H THR A 96 -1.001 -6.923 7.196 1.00 0.00 H new ATOM 0 HA THR A 96 -1.383 -9.495 8.287 1.00 0.00 H new ATOM 0 HB THR A 96 -2.992 -7.562 7.281 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.637 -9.224 7.343 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.027 -8.365 5.181 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.308 -7.968 4.943 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.819 -9.668 5.084 1.00 0.00 H new ATOM 1544 N GLN A 97 -0.121 -9.388 5.280 1.00 0.00 N ATOM 1545 CA GLN A 97 0.441 -10.204 4.213 1.00 0.00 C ATOM 1546 C GLN A 97 1.293 -11.328 4.793 1.00 0.00 C ATOM 1547 O GLN A 97 1.456 -12.377 4.172 1.00 0.00 O ATOM 1548 CB GLN A 97 1.300 -9.328 3.301 1.00 0.00 C ATOM 1549 CG GLN A 97 2.088 -10.207 2.330 1.00 0.00 C ATOM 1550 CD GLN A 97 3.468 -10.513 2.901 1.00 0.00 C ATOM 1551 OE1 GLN A 97 3.665 -10.468 4.115 1.00 0.00 O ATOM 1552 NE2 GLN A 97 4.443 -10.824 2.090 1.00 0.00 N ATOM 0 H GLN A 97 0.061 -8.388 5.193 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.375 -10.644 3.639 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.668 -8.635 2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.985 -8.727 3.899 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.547 -11.136 2.148 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.187 -9.702 1.369 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.278 -10.861 1.084 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.370 -11.030 2.462 1.00 0.00 H new ATOM 1561 N GLY A 98 1.828 -11.107 5.990 1.00 0.00 N ATOM 1562 CA GLY A 98 2.653 -12.117 6.639 1.00 0.00 C ATOM 1563 C GLY A 98 4.133 -11.793 6.487 1.00 0.00 C ATOM 1564 O GLY A 98 4.975 -12.690 6.440 1.00 0.00 O ATOM 0 H GLY A 98 1.706 -10.247 6.524 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.397 -12.176 7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.445 -13.095 6.205 1.00 0.00 H new ATOM 1568 N SER A 99 4.444 -10.505 6.412 1.00 0.00 N ATOM 1569 CA SER A 99 5.826 -10.070 6.267 1.00 0.00 C ATOM 1570 C SER A 99 6.042 -8.740 6.973 1.00 0.00 C ATOM 1571 O SER A 99 5.089 -8.096 7.416 1.00 0.00 O ATOM 1572 CB SER A 99 6.186 -9.930 4.789 1.00 0.00 C ATOM 1573 OG SER A 99 5.417 -8.880 4.215 1.00 0.00 O ATOM 0 H SER A 99 3.762 -9.748 6.449 1.00 0.00 H new ATOM 0 HA SER A 99 6.470 -10.822 6.722 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.250 -9.718 4.681 1.00 0.00 H new ATOM 0 HB3 SER A 99 5.992 -10.866 4.265 1.00 0.00 H new ATOM 0 HG SER A 99 4.486 -8.958 4.510 1.00 0.00 H new ATOM 1579 N LYS A 100 7.302 -8.344 7.076 1.00 0.00 N ATOM 1580 CA LYS A 100 7.654 -7.096 7.736 1.00 0.00 C ATOM 1581 C LYS A 100 8.053 -6.038 6.714 1.00 0.00 C ATOM 1582 O LYS A 100 8.685 -6.342 5.703 1.00 0.00 O ATOM 1583 CB LYS A 100 8.803 -7.320 8.731 1.00 0.00 C ATOM 1584 CG LYS A 100 9.680 -8.501 8.283 1.00 0.00 C ATOM 1585 CD LYS A 100 10.306 -8.196 6.921 1.00 0.00 C ATOM 1586 CE LYS A 100 11.587 -9.016 6.754 1.00 0.00 C ATOM 1587 NZ LYS A 100 11.258 -10.464 6.853 1.00 0.00 N ATOM 0 H LYS A 100 8.097 -8.869 6.711 1.00 0.00 H new ATOM 0 HA LYS A 100 6.778 -6.743 8.280 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.409 -6.417 8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.399 -7.515 9.724 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.462 -8.685 9.020 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.080 -9.409 8.222 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.602 -8.434 6.124 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.529 -7.132 6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.048 -8.801 5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.311 -8.742 7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.042 -11.026 6.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.112 -10.719 7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.390 -10.660 6.315 1.00 0.00 H new ATOM 1601 N ILE A 101 7.677 -4.790 6.989 1.00 0.00 N ATOM 1602 CA ILE A 101 7.998 -3.685 6.095 1.00 0.00 C ATOM 1603 C ILE A 101 8.861 -2.657 6.821 1.00 0.00 C ATOM 1604 O ILE A 101 8.633 -2.359 7.995 1.00 0.00 O ATOM 1605 CB ILE A 101 6.708 -3.036 5.579 1.00 0.00 C ATOM 1606 CG1 ILE A 101 7.064 -1.940 4.570 1.00 0.00 C ATOM 1607 CG2 ILE A 101 5.924 -2.428 6.745 1.00 0.00 C ATOM 1608 CD1 ILE A 101 5.791 -1.392 3.911 1.00 0.00 C ATOM 0 H ILE A 101 7.152 -4.522 7.821 1.00 0.00 H new ATOM 0 HA ILE A 101 8.559 -4.068 5.243 1.00 0.00 H new ATOM 0 HB ILE A 101 6.091 -3.794 5.096 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.599 -1.133 5.072 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.733 -2.340 3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.010 -1.969 6.369 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.670 -3.211 7.460 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.534 -1.671 7.238 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.058 -0.614 3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.273 -2.199 3.393 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.137 -0.973 4.676 1.00 0.00 H new ATOM 1620 N PHE A 102 9.866 -2.138 6.121 1.00 0.00 N ATOM 1621 CA PHE A 102 10.775 -1.158 6.711 1.00 0.00 C ATOM 1622 C PHE A 102 10.293 0.260 6.458 1.00 0.00 C ATOM 1623 O PHE A 102 10.142 0.679 5.311 1.00 0.00 O ATOM 1624 CB PHE A 102 12.171 -1.325 6.119 1.00 0.00 C ATOM 1625 CG PHE A 102 12.448 -2.790 5.884 1.00 0.00 C ATOM 1626 CD1 PHE A 102 12.941 -3.223 4.647 1.00 0.00 C ATOM 1627 CD2 PHE A 102 12.220 -3.715 6.908 1.00 0.00 C ATOM 1628 CE1 PHE A 102 13.203 -4.581 4.436 1.00 0.00 C ATOM 1629 CE2 PHE A 102 12.480 -5.070 6.698 1.00 0.00 C ATOM 1630 CZ PHE A 102 12.973 -5.506 5.463 1.00 0.00 C ATOM 0 H PHE A 102 10.071 -2.377 5.151 1.00 0.00 H new ATOM 0 HA PHE A 102 10.802 -1.330 7.787 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.248 -0.775 5.181 1.00 0.00 H new ATOM 0 HB3 PHE A 102 12.917 -0.907 6.796 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.119 -2.509 3.856 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.842 -3.380 7.863 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.582 -4.916 3.482 1.00 0.00 H new ATOM 0 HE2 PHE A 102 12.301 -5.783 7.489 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.176 -6.554 5.302 1.00 0.00 H new ATOM 1640 N LEU A 103 10.056 0.994 7.539 1.00 0.00 N ATOM 1641 CA LEU A 103 9.587 2.371 7.431 1.00 0.00 C ATOM 1642 C LEU A 103 10.640 3.339 7.945 1.00 0.00 C ATOM 1643 O LEU A 103 11.436 3.007 8.819 1.00 0.00 O ATOM 1644 CB LEU A 103 8.289 2.559 8.227 1.00 0.00 C ATOM 1645 CG LEU A 103 7.052 2.270 7.362 1.00 0.00 C ATOM 1646 CD1 LEU A 103 6.749 3.439 6.414 1.00 0.00 C ATOM 1647 CD2 LEU A 103 7.250 0.971 6.570 1.00 0.00 C ATOM 0 H LEU A 103 10.180 0.661 8.495 1.00 0.00 H new ATOM 0 HA LEU A 103 9.397 2.580 6.378 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.292 1.896 9.092 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.238 3.579 8.607 1.00 0.00 H new ATOM 0 HG LEU A 103 6.196 2.150 8.026 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.869 3.204 5.816 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.561 4.341 6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.602 3.604 5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.367 0.778 5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.122 1.068 5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.402 0.143 7.262 1.00 0.00 H new ATOM 1659 N LYS A 104 10.631 4.540 7.385 1.00 0.00 N ATOM 1660 CA LYS A 104 11.586 5.559 7.774 1.00 0.00 C ATOM 1661 C LYS A 104 11.127 6.937 7.302 1.00 0.00 C ATOM 1662 O LYS A 104 10.598 7.086 6.203 1.00 0.00 O ATOM 1663 CB LYS A 104 12.952 5.230 7.175 1.00 0.00 C ATOM 1664 CG LYS A 104 13.886 6.426 7.338 1.00 0.00 C ATOM 1665 CD LYS A 104 15.337 5.957 7.235 1.00 0.00 C ATOM 1666 CE LYS A 104 16.175 7.034 6.545 1.00 0.00 C ATOM 1667 NZ LYS A 104 15.652 7.267 5.168 1.00 0.00 N ATOM 0 H LYS A 104 9.973 4.829 6.661 1.00 0.00 H new ATOM 0 HA LYS A 104 11.659 5.577 8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.375 4.356 7.669 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.846 4.980 6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.678 7.171 6.570 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.715 6.906 8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 104 15.735 5.753 8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.390 5.025 6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.141 7.960 7.120 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.219 6.724 6.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.445 7.464 4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.143 6.421 4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.003 8.079 5.176 1.00 0.00 H new ATOM 1681 N GLU A 105 11.322 7.934 8.154 1.00 0.00 N ATOM 1682 CA GLU A 105 10.926 9.301 7.834 1.00 0.00 C ATOM 1683 C GLU A 105 12.107 10.261 7.967 1.00 0.00 C ATOM 1684 O GLU A 105 12.908 10.145 8.886 1.00 0.00 O ATOM 1685 CB GLU A 105 9.795 9.751 8.757 1.00 0.00 C ATOM 1686 CG GLU A 105 9.051 10.919 8.108 1.00 0.00 C ATOM 1687 CD GLU A 105 8.256 11.680 9.163 1.00 0.00 C ATOM 1688 OE1 GLU A 105 8.233 12.897 9.096 1.00 0.00 O ATOM 1689 OE2 GLU A 105 7.683 11.032 10.023 1.00 0.00 O ATOM 0 H GLU A 105 11.752 7.823 9.072 1.00 0.00 H new ATOM 0 HA GLU A 105 10.581 9.317 6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.109 8.924 8.941 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.197 10.053 9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 105 9.761 11.589 7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.381 10.548 7.333 1.00 0.00 H new ATOM 1696 N VAL A 106 12.212 11.203 7.035 1.00 0.00 N ATOM 1697 CA VAL A 106 13.297 12.180 7.066 1.00 0.00 C ATOM 1698 C VAL A 106 12.838 13.504 6.467 1.00 0.00 C ATOM 1699 O VAL A 106 12.053 13.526 5.521 1.00 0.00 O ATOM 1700 CB VAL A 106 14.503 11.666 6.285 1.00 0.00 C ATOM 1701 CG1 VAL A 106 15.503 12.801 6.091 1.00 0.00 C ATOM 1702 CG2 VAL A 106 15.156 10.513 7.049 1.00 0.00 C ATOM 0 H VAL A 106 11.565 11.311 6.254 1.00 0.00 H new ATOM 0 HA VAL A 106 13.582 12.334 8.107 1.00 0.00 H new ATOM 0 HB VAL A 106 14.180 11.305 5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 106 16.365 12.435 5.533 1.00 0.00 H new ATOM 0 HG12 VAL A 106 15.030 13.612 5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 106 15.830 13.168 7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 106 16.017 10.147 6.490 1.00 0.00 H new ATOM 0 HG22 VAL A 106 15.482 10.864 8.028 1.00 0.00 H new ATOM 0 HG23 VAL A 106 14.435 9.705 7.174 1.00 0.00 H new ATOM 1712 N ASN A 107 13.339 14.603 7.025 1.00 0.00 N ATOM 1713 CA ASN A 107 12.978 15.929 6.542 1.00 0.00 C ATOM 1714 C ASN A 107 11.478 16.020 6.282 1.00 0.00 C ATOM 1715 O ASN A 107 11.042 16.643 5.314 1.00 0.00 O ATOM 1716 CB ASN A 107 13.740 16.240 5.252 1.00 0.00 C ATOM 1717 CG ASN A 107 15.234 16.344 5.543 1.00 0.00 C ATOM 1718 OD1 ASN A 107 15.725 15.769 6.608 1.00 0.00 O flip ATOM 1719 ND2 ASN A 107 15.974 16.965 4.781 1.00 0.00 N flip ATOM 0 H ASN A 107 13.993 14.600 7.808 1.00 0.00 H new ATOM 0 HA ASN A 107 13.245 16.657 7.308 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.558 15.458 4.514 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.379 17.174 4.822 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.589 17.414 3.950 1.00 0.00 H new ATOM 0 HD22 ASN A 107 16.972 17.031 4.981 1.00 0.00 H new ATOM 1726 N ASP A 108 10.692 15.395 7.153 1.00 0.00 N ATOM 1727 CA ASP A 108 9.241 15.412 7.007 1.00 0.00 C ATOM 1728 C ASP A 108 8.819 14.680 5.736 1.00 0.00 C ATOM 1729 O ASP A 108 7.821 15.034 5.107 1.00 0.00 O ATOM 1730 CB ASP A 108 8.740 16.857 6.954 1.00 0.00 C ATOM 1731 CG ASP A 108 9.611 17.744 7.836 1.00 0.00 C ATOM 1732 OD1 ASP A 108 10.264 17.210 8.717 1.00 0.00 O ATOM 1733 OD2 ASP A 108 9.614 18.944 7.615 1.00 0.00 O ATOM 0 H ASP A 108 11.032 14.874 7.961 1.00 0.00 H new ATOM 0 HA ASP A 108 8.803 14.905 7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 108 8.760 17.220 5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 108 7.704 16.904 7.288 1.00 0.00 H new ATOM 1738 N THR A 109 9.590 13.658 5.366 1.00 0.00 N ATOM 1739 CA THR A 109 9.294 12.875 4.168 1.00 0.00 C ATOM 1740 C THR A 109 9.150 11.405 4.511 1.00 0.00 C ATOM 1741 O THR A 109 10.047 10.804 5.097 1.00 0.00 O ATOM 1742 CB THR A 109 10.404 13.036 3.131 1.00 0.00 C ATOM 1743 OG1 THR A 109 10.884 14.369 3.169 1.00 0.00 O ATOM 1744 CG2 THR A 109 9.830 12.739 1.749 1.00 0.00 C ATOM 0 H THR A 109 10.420 13.354 5.876 1.00 0.00 H new ATOM 0 HA THR A 109 8.355 13.244 3.755 1.00 0.00 H new ATOM 0 HB THR A 109 11.223 12.350 3.346 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.490 14.477 3.932 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.613 12.850 0.998 1.00 0.00 H new ATOM 0 HG22 THR A 109 9.447 11.719 1.726 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.020 13.436 1.534 1.00 0.00 H new ATOM 1752 N LEU A 110 8.022 10.825 4.133 1.00 0.00 N ATOM 1753 CA LEU A 110 7.788 9.415 4.406 1.00 0.00 C ATOM 1754 C LEU A 110 8.662 8.559 3.495 1.00 0.00 C ATOM 1755 O LEU A 110 8.443 8.513 2.283 1.00 0.00 O ATOM 1756 CB LEU A 110 6.312 9.063 4.184 1.00 0.00 C ATOM 1757 CG LEU A 110 5.905 7.892 5.088 1.00 0.00 C ATOM 1758 CD1 LEU A 110 4.487 7.451 4.725 1.00 0.00 C ATOM 1759 CD2 LEU A 110 6.856 6.709 4.882 1.00 0.00 C ATOM 0 H LEU A 110 7.264 11.300 3.643 1.00 0.00 H new ATOM 0 HA LEU A 110 8.044 9.215 5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.688 9.931 4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.146 8.800 3.139 1.00 0.00 H new ATOM 0 HG LEU A 110 5.950 8.214 6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.190 6.619 5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.799 8.283 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.460 7.136 3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.557 5.885 5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.816 6.387 3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.873 7.013 5.129 1.00 0.00 H new ATOM 1771 N LEU A 111 9.651 7.890 4.084 1.00 0.00 N ATOM 1772 CA LEU A 111 10.553 7.043 3.315 1.00 0.00 C ATOM 1773 C LEU A 111 10.379 5.579 3.709 1.00 0.00 C ATOM 1774 O LEU A 111 10.623 5.206 4.855 1.00 0.00 O ATOM 1775 CB LEU A 111 11.995 7.461 3.553 1.00 0.00 C ATOM 1776 CG LEU A 111 12.326 8.596 2.591 1.00 0.00 C ATOM 1777 CD1 LEU A 111 13.389 9.494 3.167 1.00 0.00 C ATOM 1778 CD2 LEU A 111 12.851 8.005 1.308 1.00 0.00 C ATOM 0 H LEU A 111 9.846 7.919 5.085 1.00 0.00 H new ATOM 0 HA LEU A 111 10.311 7.158 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.132 7.785 4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.667 6.618 3.392 1.00 0.00 H new ATOM 0 HG LEU A 111 11.422 9.180 2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.608 10.296 2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.035 9.921 4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.294 8.915 3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.092 8.807 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.749 7.423 1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.092 7.357 0.869 1.00 0.00 H new ATOM 1790 N VAL A 112 9.957 4.756 2.757 1.00 0.00 N ATOM 1791 CA VAL A 112 9.749 3.327 3.028 1.00 0.00 C ATOM 1792 C VAL A 112 10.627 2.467 2.123 1.00 0.00 C ATOM 1793 O VAL A 112 10.895 2.834 0.987 1.00 0.00 O ATOM 1794 CB VAL A 112 8.267 2.967 2.833 1.00 0.00 C ATOM 1795 CG1 VAL A 112 7.650 3.804 1.707 1.00 0.00 C ATOM 1796 CG2 VAL A 112 8.124 1.474 2.507 1.00 0.00 C ATOM 0 H VAL A 112 9.752 5.042 1.800 1.00 0.00 H new ATOM 0 HA VAL A 112 10.031 3.127 4.062 1.00 0.00 H new ATOM 0 HB VAL A 112 7.738 3.185 3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.601 3.534 1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 112 7.725 4.862 1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 112 8.184 3.612 0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.070 1.231 2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 112 8.670 1.248 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.530 0.882 3.327 1.00 0.00 H new ATOM 1806 N ASN A 113 11.068 1.318 2.622 1.00 0.00 N ATOM 1807 CA ASN A 113 11.899 0.430 1.815 1.00 0.00 C ATOM 1808 C ASN A 113 12.936 1.225 1.021 1.00 0.00 C ATOM 1809 O ASN A 113 13.197 0.936 -0.147 1.00 0.00 O ATOM 1810 CB ASN A 113 11.013 -0.361 0.848 1.00 0.00 C ATOM 1811 CG ASN A 113 10.334 -1.509 1.583 1.00 0.00 C ATOM 1812 OD1 ASN A 113 10.113 -1.429 2.791 1.00 0.00 O ATOM 1813 ND2 ASN A 113 9.988 -2.579 0.922 1.00 0.00 N ATOM 0 H ASN A 113 10.869 0.983 3.565 1.00 0.00 H new ATOM 0 HA ASN A 113 12.424 -0.253 2.483 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.262 0.296 0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 113 11.614 -0.750 0.026 1.00 0.00 H new ATOM 0 HD21 ASN A 113 9.533 -3.353 1.406 1.00 0.00 H new ATOM 0 HD22 ASN A 113 10.173 -2.642 -0.079 1.00 0.00 H new ATOM 1820 N GLU A 114 13.525 2.227 1.666 1.00 0.00 N ATOM 1821 CA GLU A 114 14.537 3.058 1.020 1.00 0.00 C ATOM 1822 C GLU A 114 13.999 3.686 -0.264 1.00 0.00 C ATOM 1823 O GLU A 114 14.644 3.625 -1.311 1.00 0.00 O ATOM 1824 CB GLU A 114 15.775 2.212 0.704 1.00 0.00 C ATOM 1825 CG GLU A 114 16.458 1.807 2.010 1.00 0.00 C ATOM 1826 CD GLU A 114 16.721 0.306 2.020 1.00 0.00 C ATOM 1827 OE1 GLU A 114 17.856 -0.078 1.791 1.00 0.00 O ATOM 1828 OE2 GLU A 114 15.785 -0.439 2.259 1.00 0.00 O ATOM 0 H GLU A 114 13.321 2.483 2.632 1.00 0.00 H new ATOM 0 HA GLU A 114 14.806 3.862 1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 114 15.489 1.324 0.140 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.466 2.778 0.079 1.00 0.00 H new ATOM 0 HG2 GLU A 114 17.397 2.349 2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 114 15.830 2.080 2.858 1.00 0.00 H new ATOM 1835 N LEU A 115 12.818 4.290 -0.177 1.00 0.00 N ATOM 1836 CA LEU A 115 12.209 4.926 -1.344 1.00 0.00 C ATOM 1837 C LEU A 115 11.279 6.055 -0.907 1.00 0.00 C ATOM 1838 O LEU A 115 10.572 5.940 0.094 1.00 0.00 O ATOM 1839 CB LEU A 115 11.451 3.873 -2.173 1.00 0.00 C ATOM 1840 CG LEU A 115 9.966 3.798 -1.749 1.00 0.00 C ATOM 1841 CD1 LEU A 115 9.127 4.868 -2.453 1.00 0.00 C ATOM 1842 CD2 LEU A 115 9.405 2.416 -2.082 1.00 0.00 C ATOM 0 H LEU A 115 12.267 4.353 0.679 1.00 0.00 H new ATOM 0 HA LEU A 115 12.991 5.359 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.518 4.121 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 115 11.919 2.897 -2.044 1.00 0.00 H new ATOM 0 HG LEU A 115 9.915 3.975 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.089 4.786 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.509 5.856 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.185 4.724 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 115 8.358 2.366 -1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.484 2.240 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.972 1.654 -1.547 1.00 0.00 H new ATOM 1854 N LYS A 116 11.292 7.158 -1.639 1.00 0.00 N ATOM 1855 CA LYS A 116 10.448 8.287 -1.278 1.00 0.00 C ATOM 1856 C LYS A 116 9.016 8.055 -1.759 1.00 0.00 C ATOM 1857 O LYS A 116 8.797 7.687 -2.911 1.00 0.00 O ATOM 1858 CB LYS A 116 10.993 9.563 -1.907 1.00 0.00 C ATOM 1859 CG LYS A 116 10.859 10.716 -0.914 1.00 0.00 C ATOM 1860 CD LYS A 116 11.467 11.975 -1.521 1.00 0.00 C ATOM 1861 CE LYS A 116 12.933 12.093 -1.095 1.00 0.00 C ATOM 1862 NZ LYS A 116 13.678 12.906 -2.096 1.00 0.00 N ATOM 0 H LYS A 116 11.866 7.296 -2.471 1.00 0.00 H new ATOM 0 HA LYS A 116 10.447 8.387 -0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.038 9.427 -2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.448 9.792 -2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 116 9.809 10.884 -0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.364 10.468 0.020 1.00 0.00 H new ATOM 0 HD2 LYS A 116 11.395 11.938 -2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.911 12.854 -1.194 1.00 0.00 H new ATOM 0 HE2 LYS A 116 13.000 12.557 -0.111 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.379 11.102 -1.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 14.674 12.986 -1.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.624 12.445 -3.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 13.257 13.855 -2.155 1.00 0.00 H new ATOM 1876 N SER A 117 8.046 8.270 -0.876 1.00 0.00 N ATOM 1877 CA SER A 117 6.641 8.074 -1.240 1.00 0.00 C ATOM 1878 C SER A 117 6.122 9.241 -2.074 1.00 0.00 C ATOM 1879 O SER A 117 6.706 10.323 -2.079 1.00 0.00 O ATOM 1880 CB SER A 117 5.792 7.937 0.022 1.00 0.00 C ATOM 1881 OG SER A 117 6.627 7.562 1.109 1.00 0.00 O ATOM 0 H SER A 117 8.200 8.576 0.085 1.00 0.00 H new ATOM 0 HA SER A 117 6.570 7.163 -1.835 1.00 0.00 H new ATOM 0 HB2 SER A 117 5.291 8.880 0.241 1.00 0.00 H new ATOM 0 HB3 SER A 117 5.013 7.189 -0.129 1.00 0.00 H new ATOM 0 HG SER A 117 7.124 8.345 1.425 1.00 0.00 H new ATOM 1887 N LYS A 118 5.012 9.011 -2.775 1.00 0.00 N ATOM 1888 CA LYS A 118 4.413 10.044 -3.605 1.00 0.00 C ATOM 1889 C LYS A 118 3.320 10.777 -2.839 1.00 0.00 C ATOM 1890 O LYS A 118 3.261 12.007 -2.850 1.00 0.00 O ATOM 1891 CB LYS A 118 3.811 9.415 -4.862 1.00 0.00 C ATOM 1892 CG LYS A 118 4.916 9.131 -5.884 1.00 0.00 C ATOM 1893 CD LYS A 118 5.417 10.445 -6.511 1.00 0.00 C ATOM 1894 CE LYS A 118 6.909 10.638 -6.216 1.00 0.00 C ATOM 1895 NZ LYS A 118 7.700 9.720 -7.083 1.00 0.00 N ATOM 0 H LYS A 118 4.514 8.121 -2.782 1.00 0.00 H new ATOM 0 HA LYS A 118 5.190 10.755 -3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.295 8.490 -4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.068 10.085 -5.294 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.744 8.613 -5.400 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.538 8.469 -6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.251 10.429 -7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.849 11.286 -6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 118 7.198 11.672 -6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.114 10.433 -5.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 8.619 10.154 -7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.852 8.819 -6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.182 9.545 -7.968 1.00 0.00 H new ATOM 1909 N GLU A 119 2.453 10.019 -2.174 1.00 0.00 N ATOM 1910 CA GLU A 119 1.368 10.627 -1.412 1.00 0.00 C ATOM 1911 C GLU A 119 0.876 9.681 -0.323 1.00 0.00 C ATOM 1912 O GLU A 119 0.179 8.709 -0.596 1.00 0.00 O ATOM 1913 CB GLU A 119 0.208 10.988 -2.346 1.00 0.00 C ATOM 1914 CG GLU A 119 -0.922 11.627 -1.539 1.00 0.00 C ATOM 1915 CD GLU A 119 -1.825 12.440 -2.458 1.00 0.00 C ATOM 1916 OE1 GLU A 119 -1.344 13.405 -3.026 1.00 0.00 O ATOM 1917 OE2 GLU A 119 -2.987 12.086 -2.578 1.00 0.00 O ATOM 0 H GLU A 119 2.479 9.000 -2.147 1.00 0.00 H new ATOM 0 HA GLU A 119 1.748 11.533 -0.940 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.551 11.676 -3.118 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.155 10.094 -2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.503 10.854 -1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.507 12.269 -0.762 1.00 0.00 H new ATOM 1924 N SER A 120 1.243 9.971 0.916 1.00 0.00 N ATOM 1925 CA SER A 120 0.829 9.132 2.031 1.00 0.00 C ATOM 1926 C SER A 120 0.454 9.986 3.233 1.00 0.00 C ATOM 1927 O SER A 120 0.596 11.208 3.199 1.00 0.00 O ATOM 1928 CB SER A 120 1.973 8.195 2.416 1.00 0.00 C ATOM 1929 OG SER A 120 3.092 8.973 2.822 1.00 0.00 O ATOM 0 H SER A 120 1.820 10.772 1.174 1.00 0.00 H new ATOM 0 HA SER A 120 -0.042 8.551 1.726 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.662 7.533 3.224 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.242 7.562 1.571 1.00 0.00 H new ATOM 0 HG SER A 120 3.855 8.777 2.239 1.00 0.00 H new ATOM 1935 N ASP A 121 -0.018 9.330 4.293 1.00 0.00 N ATOM 1936 CA ASP A 121 -0.403 10.032 5.523 1.00 0.00 C ATOM 1937 C ASP A 121 -1.828 10.560 5.422 1.00 0.00 C ATOM 1938 O ASP A 121 -2.363 11.133 6.373 1.00 0.00 O ATOM 1939 CB ASP A 121 0.549 11.202 5.787 1.00 0.00 C ATOM 1940 CG ASP A 121 0.681 11.446 7.286 1.00 0.00 C ATOM 1941 OD1 ASP A 121 1.790 11.346 7.786 1.00 0.00 O ATOM 1942 OD2 ASP A 121 -0.326 11.734 7.911 1.00 0.00 O ATOM 0 H ASP A 121 -0.144 8.318 4.328 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.345 9.320 6.347 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.528 10.987 5.359 1.00 0.00 H new ATOM 0 HB3 ASP A 121 0.176 12.101 5.296 1.00 0.00 H new ATOM 1947 N ILE A 122 -2.428 10.360 4.260 1.00 0.00 N ATOM 1948 CA ILE A 122 -3.788 10.811 4.017 1.00 0.00 C ATOM 1949 C ILE A 122 -4.739 10.116 4.983 1.00 0.00 C ATOM 1950 O ILE A 122 -4.854 8.889 4.992 1.00 0.00 O ATOM 1951 CB ILE A 122 -4.208 10.496 2.575 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -2.986 10.243 1.667 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -5.031 11.635 1.985 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -2.110 11.503 1.572 1.00 0.00 C ATOM 0 H ILE A 122 -1.993 9.887 3.468 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.830 11.889 4.170 1.00 0.00 H new ATOM 0 HB ILE A 122 -4.812 9.590 2.616 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.398 9.414 2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.320 9.951 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.316 11.386 0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -5.928 11.785 2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -4.438 12.550 1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.254 11.303 0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -2.695 12.322 1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -1.759 11.778 2.567 1.00 0.00 H new ATOM 1966 N MET A 123 -5.409 10.914 5.793 1.00 0.00 N ATOM 1967 CA MET A 123 -6.346 10.397 6.773 1.00 0.00 C ATOM 1968 C MET A 123 -7.705 10.143 6.139 1.00 0.00 C ATOM 1969 O MET A 123 -8.327 11.056 5.594 1.00 0.00 O ATOM 1970 CB MET A 123 -6.497 11.396 7.918 1.00 0.00 C ATOM 1971 CG MET A 123 -7.355 10.781 9.020 1.00 0.00 C ATOM 1972 SD MET A 123 -6.395 10.684 10.552 1.00 0.00 S ATOM 1973 CE MET A 123 -5.556 9.120 10.199 1.00 0.00 C ATOM 0 H MET A 123 -5.321 11.930 5.791 1.00 0.00 H new ATOM 0 HA MET A 123 -5.958 9.453 7.156 1.00 0.00 H new ATOM 0 HB2 MET A 123 -5.517 11.664 8.312 1.00 0.00 H new ATOM 0 HB3 MET A 123 -6.957 12.315 7.555 1.00 0.00 H new ATOM 0 HG2 MET A 123 -8.250 11.383 9.177 1.00 0.00 H new ATOM 0 HG3 MET A 123 -7.688 9.786 8.724 1.00 0.00 H new ATOM 0 HE1 MET A 123 -4.899 8.864 11.030 1.00 0.00 H new ATOM 0 HE2 MET A 123 -6.297 8.332 10.066 1.00 0.00 H new ATOM 0 HE3 MET A 123 -4.966 9.221 9.288 1.00 0.00 H new ATOM 1983 N THR A 124 -8.152 8.897 6.219 1.00 0.00 N ATOM 1984 CA THR A 124 -9.444 8.517 5.654 1.00 0.00 C ATOM 1985 C THR A 124 -10.393 8.041 6.747 1.00 0.00 C ATOM 1986 O THR A 124 -10.039 8.019 7.927 1.00 0.00 O ATOM 1987 CB THR A 124 -9.255 7.404 4.622 1.00 0.00 C ATOM 1988 OG1 THR A 124 -8.749 6.243 5.265 1.00 0.00 O ATOM 1989 CG2 THR A 124 -8.270 7.865 3.547 1.00 0.00 C ATOM 0 H THR A 124 -7.644 8.134 6.667 1.00 0.00 H new ATOM 0 HA THR A 124 -9.877 9.393 5.171 1.00 0.00 H new ATOM 0 HB THR A 124 -10.214 7.172 4.158 1.00 0.00 H new ATOM 0 HG1 THR A 124 -8.494 6.464 6.185 1.00 0.00 H new ATOM 0 HG21 THR A 124 -8.136 7.071 2.812 1.00 0.00 H new ATOM 0 HG22 THR A 124 -8.661 8.755 3.053 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.310 8.098 4.009 1.00 0.00 H new ATOM 1997 N THR A 125 -11.603 7.662 6.349 1.00 0.00 N ATOM 1998 CA THR A 125 -12.596 7.188 7.305 1.00 0.00 C ATOM 1999 C THR A 125 -12.404 5.702 7.583 1.00 0.00 C ATOM 2000 O THR A 125 -13.034 5.142 8.481 1.00 0.00 O ATOM 2001 CB THR A 125 -14.003 7.424 6.761 1.00 0.00 C ATOM 2002 OG1 THR A 125 -14.257 6.523 5.693 1.00 0.00 O ATOM 2003 CG2 THR A 125 -14.118 8.861 6.258 1.00 0.00 C ATOM 0 H THR A 125 -11.918 7.674 5.379 1.00 0.00 H new ATOM 0 HA THR A 125 -12.468 7.743 8.234 1.00 0.00 H new ATOM 0 HB THR A 125 -14.732 7.258 7.554 1.00 0.00 H new ATOM 0 HG1 THR A 125 -14.256 7.013 4.844 1.00 0.00 H new ATOM 0 HG21 THR A 125 -15.122 9.031 5.869 1.00 0.00 H new ATOM 0 HG22 THR A 125 -13.925 9.551 7.080 1.00 0.00 H new ATOM 0 HG23 THR A 125 -13.389 9.028 5.465 1.00 0.00 H new ATOM 2011 N ASN A 126 -11.533 5.071 6.797 1.00 0.00 N ATOM 2012 CA ASN A 126 -11.257 3.643 6.950 1.00 0.00 C ATOM 2013 C ASN A 126 -9.817 3.414 7.419 1.00 0.00 C ATOM 2014 O ASN A 126 -9.371 2.274 7.583 1.00 0.00 O ATOM 2015 CB ASN A 126 -11.484 2.926 5.617 1.00 0.00 C ATOM 2016 CG ASN A 126 -12.970 2.912 5.273 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -13.803 3.625 5.982 1.00 0.00 O flip ATOM 2018 ND2 ASN A 126 -13.385 2.230 4.335 1.00 0.00 N flip ATOM 0 H ASN A 126 -11.007 5.524 6.050 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.935 3.240 7.702 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -10.925 3.427 4.827 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -11.107 1.905 5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -12.733 1.673 3.782 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -14.380 2.222 4.111 1.00 0.00 H new ATOM 2025 N GLY A 127 -9.091 4.503 7.630 1.00 0.00 N ATOM 2026 CA GLY A 127 -7.707 4.407 8.078 1.00 0.00 C ATOM 2027 C GLY A 127 -6.835 5.435 7.371 1.00 0.00 C ATOM 2028 O GLY A 127 -7.274 6.558 7.114 1.00 0.00 O ATOM 0 H GLY A 127 -9.432 5.455 7.500 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.658 4.562 9.156 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -7.326 3.405 7.882 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.602 5.044 7.062 1.00 0.00 N ATOM 2033 CA VAL A 128 -4.669 5.939 6.382 1.00 0.00 C ATOM 2034 C VAL A 128 -4.261 5.355 5.040 1.00 0.00 C ATOM 2035 O VAL A 128 -4.249 4.131 4.854 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.428 6.160 7.251 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.367 5.106 6.938 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -2.851 7.556 6.992 1.00 0.00 C ATOM 0 H VAL A 128 -5.226 4.119 7.270 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.163 6.896 6.214 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.718 6.075 8.298 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.490 5.275 7.563 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.770 4.113 7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.083 5.176 5.888 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.968 7.706 7.614 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.574 7.646 5.942 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -3.599 8.310 7.236 1.00 0.00 H new ATOM 2048 N ILE A 129 -3.933 6.241 4.110 1.00 0.00 N ATOM 2049 CA ILE A 129 -3.532 5.818 2.778 1.00 0.00 C ATOM 2050 C ILE A 129 -2.039 6.040 2.560 1.00 0.00 C ATOM 2051 O ILE A 129 -1.461 7.024 3.048 1.00 0.00 O ATOM 2052 CB ILE A 129 -4.335 6.602 1.724 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -5.641 5.856 1.424 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -3.523 6.728 0.425 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -6.573 6.718 0.558 1.00 0.00 C ATOM 0 H ILE A 129 -3.937 7.251 4.253 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.737 4.752 2.678 1.00 0.00 H new ATOM 0 HB ILE A 129 -4.551 7.597 2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -5.421 4.920 0.910 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -6.140 5.597 2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -4.101 7.284 -0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -2.591 7.255 0.628 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.300 5.734 0.037 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.493 6.170 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.809 7.642 1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -6.079 6.955 -0.384 1.00 0.00 H new ATOM 2067 N HIS A 130 -1.426 5.133 1.804 1.00 0.00 N ATOM 2068 CA HIS A 130 -0.009 5.249 1.497 1.00 0.00 C ATOM 2069 C HIS A 130 0.230 4.968 0.018 1.00 0.00 C ATOM 2070 O HIS A 130 0.063 3.841 -0.449 1.00 0.00 O ATOM 2071 CB HIS A 130 0.795 4.278 2.356 1.00 0.00 C ATOM 2072 CG HIS A 130 2.264 4.610 2.289 1.00 0.00 C ATOM 2073 ND1 HIS A 130 3.072 5.080 1.277 1.00 0.00 N flip ATOM 2074 CD2 HIS A 130 3.096 4.431 3.379 1.00 0.00 C flip ATOM 2075 CE1 HIS A 130 4.382 5.180 1.735 1.00 0.00 C flip ATOM 2076 NE2 HIS A 130 4.339 4.775 3.006 1.00 0.00 N flip ATOM 0 H HIS A 130 -1.885 4.318 1.397 1.00 0.00 H new ATOM 0 HA HIS A 130 0.319 6.265 1.718 1.00 0.00 H new ATOM 0 HB2 HIS A 130 0.451 4.326 3.389 1.00 0.00 H new ATOM 0 HB3 HIS A 130 0.630 3.257 2.013 1.00 0.00 H new ATOM 0 HD2 HIS A 130 2.799 4.078 4.355 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.247 5.513 1.181 1.00 0.00 H new ATOM 0 HE2 HIS A 130 5.152 4.732 3.620 1.00 0.00 H new ATOM 2085 N VAL A 131 0.632 6.009 -0.709 1.00 0.00 N ATOM 2086 CA VAL A 131 0.907 5.883 -2.139 1.00 0.00 C ATOM 2087 C VAL A 131 2.401 5.968 -2.404 1.00 0.00 C ATOM 2088 O VAL A 131 3.043 6.982 -2.112 1.00 0.00 O ATOM 2089 CB VAL A 131 0.194 6.982 -2.927 1.00 0.00 C ATOM 2090 CG1 VAL A 131 0.326 6.706 -4.428 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -1.285 7.012 -2.540 1.00 0.00 C ATOM 0 H VAL A 131 0.774 6.946 -0.333 1.00 0.00 H new ATOM 0 HA VAL A 131 0.536 4.911 -2.465 1.00 0.00 H new ATOM 0 HB VAL A 131 0.648 7.945 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.183 7.490 -4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.380 6.689 -4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.126 5.742 -4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.792 7.796 -3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.741 6.049 -2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.378 7.213 -1.473 1.00 0.00 H new ATOM 2101 N VAL A 132 2.938 4.887 -2.965 1.00 0.00 N ATOM 2102 CA VAL A 132 4.367 4.817 -3.281 1.00 0.00 C ATOM 2103 C VAL A 132 4.594 4.738 -4.791 1.00 0.00 C ATOM 2104 O VAL A 132 3.644 4.703 -5.571 1.00 0.00 O ATOM 2105 CB VAL A 132 4.996 3.595 -2.607 1.00 0.00 C ATOM 2106 CG1 VAL A 132 4.807 3.693 -1.093 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.325 2.321 -3.123 1.00 0.00 C ATOM 0 H VAL A 132 2.410 4.050 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 132 4.838 5.725 -2.905 1.00 0.00 H new ATOM 0 HB VAL A 132 6.060 3.563 -2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.255 2.823 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.288 4.599 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 132 3.743 3.728 -0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 132 4.775 1.452 -2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.260 2.352 -2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.462 2.249 -4.202 1.00 0.00 H new ATOM 2117 N ASP A 133 5.865 4.719 -5.190 1.00 0.00 N ATOM 2118 CA ASP A 133 6.216 4.648 -6.607 1.00 0.00 C ATOM 2119 C ASP A 133 7.094 3.435 -6.885 1.00 0.00 C ATOM 2120 O ASP A 133 7.972 3.474 -7.746 1.00 0.00 O ATOM 2121 CB ASP A 133 6.954 5.922 -7.027 1.00 0.00 C ATOM 2122 CG ASP A 133 8.144 6.163 -6.105 1.00 0.00 C ATOM 2123 OD1 ASP A 133 9.102 5.412 -6.197 1.00 0.00 O ATOM 2124 OD2 ASP A 133 8.080 7.093 -5.318 1.00 0.00 O ATOM 0 H ASP A 133 6.664 4.752 -4.557 1.00 0.00 H new ATOM 0 HA ASP A 133 5.296 4.553 -7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 133 7.295 5.831 -8.058 1.00 0.00 H new ATOM 0 HB3 ASP A 133 6.276 6.774 -6.989 1.00 0.00 H new ATOM 2129 N LYS A 134 6.845 2.356 -6.156 1.00 0.00 N ATOM 2130 CA LYS A 134 7.614 1.134 -6.341 1.00 0.00 C ATOM 2131 C LYS A 134 6.929 -0.037 -5.642 1.00 0.00 C ATOM 2132 O LYS A 134 6.249 0.143 -4.632 1.00 0.00 O ATOM 2133 CB LYS A 134 9.022 1.312 -5.779 1.00 0.00 C ATOM 2134 CG LYS A 134 9.984 0.323 -6.452 1.00 0.00 C ATOM 2135 CD LYS A 134 10.975 -0.223 -5.416 1.00 0.00 C ATOM 2136 CE LYS A 134 10.254 -1.184 -4.467 1.00 0.00 C ATOM 2137 NZ LYS A 134 10.494 -0.763 -3.057 1.00 0.00 N ATOM 0 H LYS A 134 6.123 2.302 -5.437 1.00 0.00 H new ATOM 0 HA LYS A 134 7.675 0.923 -7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 134 9.363 2.334 -5.946 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.016 1.150 -4.701 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.423 -0.497 -6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 134 10.523 0.818 -7.259 1.00 0.00 H new ATOM 0 HD2 LYS A 134 11.793 -0.739 -5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 134 11.415 0.599 -4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 134 9.185 -1.188 -4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 134 10.614 -2.202 -4.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 10.167 -1.510 -2.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 11.511 -0.600 -2.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 9.972 0.115 -2.863 1.00 0.00 H new ATOM 2151 N LEU A 135 7.108 -1.237 -6.186 1.00 0.00 N ATOM 2152 CA LEU A 135 6.495 -2.429 -5.603 1.00 0.00 C ATOM 2153 C LEU A 135 7.357 -2.984 -4.473 1.00 0.00 C ATOM 2154 O LEU A 135 8.503 -3.381 -4.684 1.00 0.00 O ATOM 2155 CB LEU A 135 6.307 -3.499 -6.684 1.00 0.00 C ATOM 2156 CG LEU A 135 5.462 -4.663 -6.140 1.00 0.00 C ATOM 2157 CD1 LEU A 135 3.979 -4.380 -6.375 1.00 0.00 C ATOM 2158 CD2 LEU A 135 5.838 -5.957 -6.864 1.00 0.00 C ATOM 0 H LEU A 135 7.667 -1.411 -7.022 1.00 0.00 H new ATOM 0 HA LEU A 135 5.524 -2.151 -5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.820 -3.063 -7.556 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.278 -3.868 -7.013 1.00 0.00 H new ATOM 0 HG LEU A 135 5.653 -4.768 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.385 -5.208 -5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 135 3.698 -3.460 -5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.795 -4.270 -7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.237 -6.779 -6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.651 -5.844 -7.932 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.894 -6.171 -6.701 1.00 0.00 H new ATOM 2170 N LEU A 136 6.789 -3.019 -3.272 1.00 0.00 N ATOM 2171 CA LEU A 136 7.508 -3.534 -2.113 1.00 0.00 C ATOM 2172 C LEU A 136 7.343 -5.044 -2.017 1.00 0.00 C ATOM 2173 O LEU A 136 6.225 -5.551 -1.931 1.00 0.00 O ATOM 2174 CB LEU A 136 6.983 -2.875 -0.832 1.00 0.00 C ATOM 2175 CG LEU A 136 6.662 -1.405 -1.107 1.00 0.00 C ATOM 2176 CD1 LEU A 136 6.310 -0.699 0.199 1.00 0.00 C ATOM 2177 CD2 LEU A 136 7.878 -0.723 -1.729 1.00 0.00 C ATOM 0 H LEU A 136 5.840 -2.699 -3.077 1.00 0.00 H new ATOM 0 HA LEU A 136 8.566 -3.300 -2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.090 -3.394 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 136 7.727 -2.953 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 136 5.816 -1.349 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 136 6.082 0.348 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 136 5.441 -1.179 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 136 7.155 -0.761 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 136 7.648 0.324 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 136 8.722 -0.787 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.134 -1.219 -2.665 1.00 0.00 H new ATOM 2189 N TYR A 137 8.459 -5.763 -2.039 1.00 0.00 N ATOM 2190 CA TYR A 137 8.412 -7.218 -1.956 1.00 0.00 C ATOM 2191 C TYR A 137 8.657 -7.685 -0.516 1.00 0.00 C ATOM 2192 O TYR A 137 9.267 -6.966 0.274 1.00 0.00 O ATOM 2193 CB TYR A 137 9.470 -7.826 -2.879 1.00 0.00 C ATOM 2194 CG TYR A 137 9.998 -6.765 -3.812 1.00 0.00 C ATOM 2195 CD1 TYR A 137 9.515 -6.691 -5.122 1.00 0.00 C ATOM 2196 CD2 TYR A 137 10.968 -5.860 -3.368 1.00 0.00 C ATOM 2197 CE1 TYR A 137 10.004 -5.710 -5.992 1.00 0.00 C ATOM 2198 CE2 TYR A 137 11.457 -4.879 -4.238 1.00 0.00 C ATOM 2199 CZ TYR A 137 10.975 -4.804 -5.550 1.00 0.00 C ATOM 2200 OH TYR A 137 11.459 -3.839 -6.407 1.00 0.00 O ATOM 0 H TYR A 137 9.397 -5.369 -2.113 1.00 0.00 H new ATOM 0 HA TYR A 137 7.422 -7.550 -2.268 1.00 0.00 H new ATOM 0 HB2 TYR A 137 10.285 -8.244 -2.289 1.00 0.00 H new ATOM 0 HB3 TYR A 137 9.039 -8.647 -3.452 1.00 0.00 H new ATOM 0 HD1 TYR A 137 8.765 -7.390 -5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 137 11.339 -5.918 -2.355 1.00 0.00 H new ATOM 0 HE1 TYR A 137 9.632 -5.652 -7.004 1.00 0.00 H new ATOM 0 HE2 TYR A 137 12.206 -4.180 -3.897 1.00 0.00 H new ATOM 0 HH TYR A 137 12.126 -3.292 -5.941 1.00 0.00 H new ATOM 2210 N PRO A 138 8.204 -8.866 -0.165 1.00 0.00 N ATOM 2211 CA PRO A 138 8.394 -9.423 1.206 1.00 0.00 C ATOM 2212 C PRO A 138 9.771 -9.110 1.779 1.00 0.00 C ATOM 2213 O PRO A 138 9.905 -8.747 2.949 1.00 0.00 O ATOM 2214 CB PRO A 138 8.216 -10.925 1.001 1.00 0.00 C ATOM 2215 CG PRO A 138 7.287 -11.056 -0.162 1.00 0.00 C ATOM 2216 CD PRO A 138 7.458 -9.800 -1.026 1.00 0.00 C ATOM 0 HA PRO A 138 7.695 -8.993 1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 138 9.171 -11.410 0.799 1.00 0.00 H new ATOM 0 HB3 PRO A 138 7.801 -11.397 1.891 1.00 0.00 H new ATOM 0 HG2 PRO A 138 7.516 -11.953 -0.738 1.00 0.00 H new ATOM 0 HG3 PRO A 138 6.256 -11.151 0.179 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.005 -10.019 -1.943 1.00 0.00 H new ATOM 0 HD3 PRO A 138 6.494 -9.386 -1.321 1.00 0.00 H new ATOM 2224 N ALA A 139 10.790 -9.254 0.948 1.00 0.00 N ATOM 2225 CA ALA A 139 12.160 -8.989 1.379 1.00 0.00 C ATOM 2226 C ALA A 139 13.017 -8.524 0.208 1.00 0.00 C ATOM 2227 O ALA A 139 13.290 -7.334 0.058 1.00 0.00 O ATOM 2228 CB ALA A 139 12.768 -10.252 1.994 1.00 0.00 C ATOM 0 H ALA A 139 10.700 -9.551 -0.024 1.00 0.00 H new ATOM 0 HA ALA A 139 12.136 -8.196 2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 139 13.790 -10.046 2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 139 12.174 -10.560 2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 139 12.773 -11.051 1.253 1.00 0.00 H new ATOM 2234 N ASP A 140 13.437 -9.474 -0.610 1.00 0.00 N ATOM 2235 CA ASP A 140 14.267 -9.161 -1.768 1.00 0.00 C ATOM 2236 C ASP A 140 14.255 -10.318 -2.763 1.00 0.00 C ATOM 2237 O ASP A 140 15.154 -11.159 -2.762 1.00 0.00 O ATOM 2238 CB ASP A 140 15.704 -8.884 -1.321 1.00 0.00 C ATOM 2239 CG ASP A 140 16.246 -10.075 -0.538 1.00 0.00 C ATOM 2240 OD1 ASP A 140 15.443 -10.839 -0.029 1.00 0.00 O ATOM 2241 OD2 ASP A 140 17.457 -10.207 -0.460 1.00 0.00 O ATOM 0 H ASP A 140 13.220 -10.464 -0.498 1.00 0.00 H new ATOM 0 HA ASP A 140 13.861 -8.274 -2.254 1.00 0.00 H new ATOM 0 HB2 ASP A 140 16.333 -8.693 -2.190 1.00 0.00 H new ATOM 0 HB3 ASP A 140 15.735 -7.987 -0.702 1.00 0.00 H new TER 2246 ASP A 140