USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 685 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 62 ASN : amide:sc= 0.894 X(o=1.8,f=1.6) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= 0.905 USER MOD Single : A 1 MET CE :methyl 156:sc= -0.0545 (180deg=-1.36) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.138 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0899 K(o=-0.09,f=-4.7!) USER MOD Single : A 4 TYR OH : rot 96:sc= 2 USER MOD Single : A 13 GLN : amide:sc= 0.256 X(o=0.26,f=-0.056) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.596 K(o=0.6,f=-2.8) USER MOD Single : A 23 MET CE :methyl 144:sc= -0.551 (180deg=-1.76!) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 1.2 (180deg=1.17) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 1.21 (180deg=1.17) USER MOD Single : A 36 ASN : amide:sc= 0.775 K(o=0.77,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.926 K(o=0.93,f=-0.23) USER MOD Single : A 55 SER OG : rot 65:sc= 1.27 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -153:sc= 1.46 USER MOD Single : A 68 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00146) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0.00576 USER MOD Single : A 83 HIS : no HE2:sc= 1.25 K(o=1.3,f=-4.2!) USER MOD Single : A 84 HIS : no HD1:sc=-0.00868 X(o=-0.0087,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.334 -0.678 1.669 1.00 0.00 N ATOM 2 CA MET A 1 2.742 -0.311 0.357 1.00 0.00 C ATOM 3 C MET A 1 2.940 -1.462 -0.652 1.00 0.00 C ATOM 4 O MET A 1 3.469 -2.513 -0.282 1.00 0.00 O ATOM 5 CB MET A 1 3.288 1.045 -0.141 1.00 0.00 C ATOM 6 CG MET A 1 2.176 1.856 -0.820 1.00 0.00 C ATOM 7 SD MET A 1 2.681 3.408 -1.613 1.00 0.00 S ATOM 8 CE MET A 1 3.822 2.762 -2.865 1.00 0.00 C ATOM 0 H1 MET A 1 2.618 -0.570 2.415 1.00 0.00 H new ATOM 0 H2 MET A 1 3.658 -1.666 1.640 1.00 0.00 H new ATOM 0 H3 MET A 1 4.142 -0.055 1.872 1.00 0.00 H new ATOM 0 HA MET A 1 1.667 -0.171 0.471 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.697 1.609 0.697 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.105 0.879 -0.843 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.704 1.225 -1.573 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.415 2.085 -0.074 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.896 3.471 -3.690 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.807 2.618 -2.420 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.450 1.808 -3.239 1.00 0.00 H new ATOM 20 N LEU A 2 2.493 -1.319 -1.909 1.00 0.00 N ATOM 21 CA LEU A 2 2.378 -2.417 -2.863 1.00 0.00 C ATOM 22 C LEU A 2 2.759 -1.934 -4.271 1.00 0.00 C ATOM 23 O LEU A 2 3.085 -0.762 -4.480 1.00 0.00 O ATOM 24 CB LEU A 2 0.925 -2.932 -2.819 1.00 0.00 C ATOM 25 CG LEU A 2 0.801 -4.442 -3.076 1.00 0.00 C ATOM 26 CD1 LEU A 2 1.113 -5.233 -1.802 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.606 -4.794 -3.567 1.00 0.00 C ATOM 0 H LEU A 2 2.198 -0.420 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 2 3.059 -3.228 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.496 -2.701 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.335 -2.395 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 2 1.523 -4.711 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 2 1.020 -6.300 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.130 -5.013 -1.477 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.412 -4.950 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.672 -5.868 -3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.338 -4.504 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.811 -4.261 -4.495 1.00 0.00 H new ATOM 39 N GLN A 3 2.728 -2.845 -5.242 1.00 0.00 N ATOM 40 CA GLN A 3 3.151 -2.641 -6.621 1.00 0.00 C ATOM 41 C GLN A 3 2.371 -3.605 -7.517 1.00 0.00 C ATOM 42 O GLN A 3 1.910 -4.641 -7.034 1.00 0.00 O ATOM 43 CB GLN A 3 4.672 -2.888 -6.643 1.00 0.00 C ATOM 44 CG GLN A 3 5.381 -3.007 -8.001 1.00 0.00 C ATOM 45 CD GLN A 3 6.870 -3.265 -7.787 1.00 0.00 C ATOM 46 OE1 GLN A 3 7.255 -4.066 -6.941 1.00 0.00 O ATOM 47 NE2 GLN A 3 7.737 -2.560 -8.491 1.00 0.00 N ATOM 0 H GLN A 3 2.389 -3.793 -5.077 1.00 0.00 H new ATOM 0 HA GLN A 3 2.950 -1.637 -6.995 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.147 -2.076 -6.092 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.866 -3.806 -6.087 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.942 -3.819 -8.581 1.00 0.00 H new ATOM 0 HG3 GLN A 3 5.240 -2.092 -8.576 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.406 -1.897 -9.192 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.738 -2.679 -8.334 1.00 0.00 H new ATOM 56 N TYR A 4 2.268 -3.304 -8.815 1.00 0.00 N ATOM 57 CA TYR A 4 1.777 -4.231 -9.832 1.00 0.00 C ATOM 58 C TYR A 4 2.815 -4.412 -10.934 1.00 0.00 C ATOM 59 O TYR A 4 3.706 -3.577 -11.116 1.00 0.00 O ATOM 60 CB TYR A 4 0.396 -3.813 -10.399 1.00 0.00 C ATOM 61 CG TYR A 4 0.276 -2.500 -11.181 1.00 0.00 C ATOM 62 CD1 TYR A 4 1.109 -2.194 -12.282 1.00 0.00 C ATOM 63 CD2 TYR A 4 -0.755 -1.596 -10.856 1.00 0.00 C ATOM 64 CE1 TYR A 4 1.003 -0.962 -12.943 1.00 0.00 C ATOM 65 CE2 TYR A 4 -0.875 -0.361 -11.517 1.00 0.00 C ATOM 66 CZ TYR A 4 0.029 -0.026 -12.548 1.00 0.00 C ATOM 67 OH TYR A 4 -0.007 1.186 -13.164 1.00 0.00 O ATOM 0 H TYR A 4 2.529 -2.393 -9.192 1.00 0.00 H new ATOM 0 HA TYR A 4 1.622 -5.196 -9.350 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.052 -4.616 -11.051 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.301 -3.762 -9.562 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.836 -2.918 -12.618 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.466 -1.857 -10.086 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.672 -0.730 -13.759 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.657 0.329 -11.237 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.664 1.164 -13.891 1.00 0.00 H new ATOM 77 N ARG A 5 2.602 -5.443 -11.751 1.00 0.00 N ATOM 78 CA ARG A 5 3.027 -5.511 -13.144 1.00 0.00 C ATOM 79 C ARG A 5 1.780 -5.963 -13.900 1.00 0.00 C ATOM 80 O ARG A 5 1.068 -6.849 -13.424 1.00 0.00 O ATOM 81 CB ARG A 5 4.216 -6.476 -13.297 1.00 0.00 C ATOM 82 CG ARG A 5 4.773 -6.532 -14.733 1.00 0.00 C ATOM 83 CD ARG A 5 5.965 -7.497 -14.797 1.00 0.00 C ATOM 84 NE ARG A 5 6.468 -7.681 -16.174 1.00 0.00 N ATOM 85 CZ ARG A 5 6.964 -8.812 -16.695 1.00 0.00 C ATOM 86 NH1 ARG A 5 7.132 -9.899 -15.946 1.00 0.00 N ATOM 87 NH2 ARG A 5 7.288 -8.840 -17.982 1.00 0.00 N ATOM 0 H ARG A 5 2.110 -6.284 -11.447 1.00 0.00 H new ATOM 0 HA ARG A 5 3.391 -4.561 -13.535 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.012 -6.172 -12.617 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.905 -7.476 -12.996 1.00 0.00 H new ATOM 0 HG2 ARG A 5 3.993 -6.858 -15.422 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.083 -5.536 -15.051 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.770 -7.118 -14.167 1.00 0.00 H new ATOM 0 HD3 ARG A 5 5.669 -8.463 -14.389 1.00 0.00 H new ATOM 0 HE ARG A 5 6.435 -6.868 -16.788 1.00 0.00 H new ATOM 0 HH11 ARG A 5 6.882 -9.881 -14.957 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.511 -10.750 -16.361 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.158 -8.009 -18.559 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.667 -9.693 -18.394 1.00 0.00 H new ATOM 101 N ILE A 6 1.482 -5.345 -15.034 1.00 0.00 N ATOM 102 CA ILE A 6 0.264 -5.560 -15.809 1.00 0.00 C ATOM 103 C ILE A 6 0.715 -5.720 -17.252 1.00 0.00 C ATOM 104 O ILE A 6 1.646 -5.037 -17.680 1.00 0.00 O ATOM 105 CB ILE A 6 -0.702 -4.358 -15.644 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.216 -4.256 -14.193 1.00 0.00 C ATOM 107 CG2 ILE A 6 -1.896 -4.427 -16.621 1.00 0.00 C ATOM 108 CD1 ILE A 6 -1.963 -2.954 -13.892 1.00 0.00 C ATOM 0 H ILE A 6 2.103 -4.655 -15.457 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.284 -6.440 -15.473 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.128 -3.463 -15.883 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.878 -5.098 -13.992 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.370 -4.345 -13.511 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.543 -3.564 -16.466 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.527 -4.425 -17.647 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.461 -5.341 -16.440 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.294 -2.956 -12.853 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.299 -2.106 -14.060 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.829 -2.872 -14.548 1.00 0.00 H new ATOM 120 N ILE A 7 0.025 -6.567 -18.009 1.00 0.00 N ATOM 121 CA ILE A 7 0.176 -6.701 -19.450 1.00 0.00 C ATOM 122 C ILE A 7 -1.237 -6.625 -20.032 1.00 0.00 C ATOM 123 O ILE A 7 -2.159 -7.210 -19.457 1.00 0.00 O ATOM 124 CB ILE A 7 0.889 -8.019 -19.868 1.00 0.00 C ATOM 125 CG1 ILE A 7 1.196 -9.055 -18.754 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.157 -7.710 -20.671 1.00 0.00 C ATOM 127 CD1 ILE A 7 2.447 -8.799 -17.895 1.00 0.00 C ATOM 0 H ILE A 7 -0.677 -7.198 -17.622 1.00 0.00 H new ATOM 0 HA ILE A 7 0.816 -5.907 -19.834 1.00 0.00 H new ATOM 0 HB ILE A 7 0.140 -8.523 -20.479 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.333 -9.106 -18.090 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.298 -10.035 -19.220 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.644 -8.643 -20.956 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.892 -7.150 -21.568 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.838 -7.117 -20.061 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.549 -9.593 -17.155 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.330 -8.783 -18.534 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.349 -7.840 -17.387 1.00 0.00 H new ATOM 139 N VAL A 8 -1.409 -5.919 -21.152 1.00 0.00 N ATOM 140 CA VAL A 8 -2.692 -5.759 -21.831 1.00 0.00 C ATOM 141 C VAL A 8 -2.489 -5.798 -23.343 1.00 0.00 C ATOM 142 O VAL A 8 -1.485 -5.284 -23.841 1.00 0.00 O ATOM 143 CB VAL A 8 -3.404 -4.451 -21.406 1.00 0.00 C ATOM 144 CG1 VAL A 8 -4.022 -4.590 -20.016 1.00 0.00 C ATOM 145 CG2 VAL A 8 -2.519 -3.195 -21.431 1.00 0.00 C ATOM 0 H VAL A 8 -0.643 -5.434 -21.620 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.336 -6.588 -21.537 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.175 -4.307 -22.163 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.515 -3.657 -19.742 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.753 -5.399 -20.022 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.240 -4.813 -19.291 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.105 -2.331 -21.118 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.678 -3.329 -20.750 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.145 -3.033 -22.442 1.00 0.00 H new ATOM 155 N ASP A 9 -3.463 -6.343 -24.073 1.00 0.00 N ATOM 156 CA ASP A 9 -3.532 -6.301 -25.533 1.00 0.00 C ATOM 157 C ASP A 9 -4.950 -5.913 -25.948 1.00 0.00 C ATOM 158 O ASP A 9 -5.896 -6.085 -25.177 1.00 0.00 O ATOM 159 CB ASP A 9 -3.168 -7.656 -26.162 1.00 0.00 C ATOM 160 CG ASP A 9 -3.024 -7.572 -27.693 1.00 0.00 C ATOM 161 OD1 ASP A 9 -2.600 -6.517 -28.214 1.00 0.00 O ATOM 162 OD2 ASP A 9 -3.332 -8.572 -28.380 1.00 0.00 O ATOM 0 H ASP A 9 -4.248 -6.840 -23.652 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.810 -5.566 -25.889 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.233 -8.014 -25.731 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.936 -8.388 -25.911 1.00 0.00 H new ATOM 167 N GLY A 10 -5.094 -5.378 -27.156 1.00 0.00 N ATOM 168 CA GLY A 10 -6.318 -4.815 -27.695 1.00 0.00 C ATOM 169 C GLY A 10 -5.925 -3.662 -28.611 1.00 0.00 C ATOM 170 O GLY A 10 -4.799 -3.634 -29.118 1.00 0.00 O ATOM 0 H GLY A 10 -4.318 -5.325 -27.816 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.877 -5.570 -28.247 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.965 -4.463 -26.891 1.00 0.00 H new ATOM 174 N ARG A 11 -6.805 -2.669 -28.787 1.00 0.00 N ATOM 175 CA ARG A 11 -6.349 -1.369 -29.273 1.00 0.00 C ATOM 176 C ARG A 11 -5.800 -0.651 -28.048 1.00 0.00 C ATOM 177 O ARG A 11 -6.560 -0.009 -27.317 1.00 0.00 O ATOM 178 CB ARG A 11 -7.443 -0.561 -30.004 1.00 0.00 C ATOM 179 CG ARG A 11 -6.867 0.717 -30.639 1.00 0.00 C ATOM 180 CD ARG A 11 -6.049 0.460 -31.910 1.00 0.00 C ATOM 181 NE ARG A 11 -5.138 1.584 -32.166 1.00 0.00 N ATOM 182 CZ ARG A 11 -5.355 2.662 -32.926 1.00 0.00 C ATOM 183 NH1 ARG A 11 -6.475 2.800 -33.631 1.00 0.00 N ATOM 184 NH2 ARG A 11 -4.415 3.597 -32.955 1.00 0.00 N ATOM 0 H ARG A 11 -7.806 -2.739 -28.606 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.585 -1.491 -30.041 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.899 -1.180 -30.777 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.233 -0.296 -29.301 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.687 1.395 -30.876 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.236 1.223 -29.908 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.478 -0.462 -31.803 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.718 0.324 -32.760 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.228 1.536 -31.707 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.191 2.074 -33.599 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.618 3.632 -34.204 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.562 3.479 -32.409 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.545 4.434 -33.524 1.00 0.00 H new ATOM 198 N VAL A 12 -4.492 -0.802 -27.837 1.00 0.00 N ATOM 199 CA VAL A 12 -3.749 -0.264 -26.701 1.00 0.00 C ATOM 200 C VAL A 12 -2.538 0.558 -27.178 1.00 0.00 C ATOM 201 O VAL A 12 -1.687 0.919 -26.365 1.00 0.00 O ATOM 202 CB VAL A 12 -3.364 -1.411 -25.726 1.00 0.00 C ATOM 203 CG1 VAL A 12 -4.607 -2.054 -25.091 1.00 0.00 C ATOM 204 CG2 VAL A 12 -2.517 -2.525 -26.370 1.00 0.00 C ATOM 0 H VAL A 12 -3.898 -1.325 -28.481 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.383 0.427 -26.146 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.754 -0.925 -24.965 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.299 -2.852 -24.415 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.162 -1.300 -24.533 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.243 -2.467 -25.874 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.290 -3.287 -25.624 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.073 -2.976 -27.192 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.587 -2.102 -26.750 1.00 0.00 H new ATOM 214 N GLN A 13 -2.422 0.864 -28.479 1.00 0.00 N ATOM 215 CA GLN A 13 -1.299 1.615 -29.045 1.00 0.00 C ATOM 216 C GLN A 13 -1.789 2.600 -30.106 1.00 0.00 C ATOM 217 O GLN A 13 -2.787 2.362 -30.792 1.00 0.00 O ATOM 218 CB GLN A 13 -0.238 0.666 -29.639 1.00 0.00 C ATOM 219 CG GLN A 13 0.601 -0.094 -28.598 1.00 0.00 C ATOM 220 CD GLN A 13 1.548 0.817 -27.810 1.00 0.00 C ATOM 221 OE1 GLN A 13 2.685 1.050 -28.209 1.00 0.00 O ATOM 222 NE2 GLN A 13 1.117 1.348 -26.675 1.00 0.00 N ATOM 0 H GLN A 13 -3.117 0.592 -29.174 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.833 2.179 -28.237 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.738 -0.059 -30.282 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.433 1.245 -30.273 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.067 -0.603 -27.903 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.184 -0.865 -29.102 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.171 1.152 -26.347 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.731 1.953 -26.129 1.00 0.00 H new ATOM 281 N ARG A 18 -0.556 4.759 -24.868 1.00 0.00 N ATOM 282 CA ARG A 18 0.251 4.526 -23.665 1.00 0.00 C ATOM 283 C ARG A 18 0.281 5.749 -22.746 1.00 0.00 C ATOM 284 O ARG A 18 0.451 5.583 -21.542 1.00 0.00 O ATOM 285 CB ARG A 18 1.632 3.937 -23.983 1.00 0.00 C ATOM 286 CG ARG A 18 2.602 4.788 -24.818 1.00 0.00 C ATOM 287 CD ARG A 18 3.860 3.935 -25.037 1.00 0.00 C ATOM 288 NE ARG A 18 4.909 4.602 -25.829 1.00 0.00 N ATOM 289 CZ ARG A 18 6.091 4.035 -26.120 1.00 0.00 C ATOM 290 NH1 ARG A 18 6.348 2.798 -25.706 1.00 0.00 N ATOM 291 NH2 ARG A 18 7.001 4.697 -26.825 1.00 0.00 N ATOM 0 HA ARG A 18 -0.249 3.748 -23.088 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.121 3.703 -23.038 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.480 2.993 -24.506 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.152 5.065 -25.771 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.848 5.715 -24.300 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.273 3.659 -24.066 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.576 3.009 -25.537 1.00 0.00 H new ATOM 0 HE ARG A 18 4.727 5.544 -26.174 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.649 2.284 -25.170 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.244 2.363 -25.925 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.805 5.644 -27.150 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.896 4.259 -27.042 1.00 0.00 H new ATOM 305 N TYR A 19 0.048 6.962 -23.259 1.00 0.00 N ATOM 306 CA TYR A 19 -0.161 8.116 -22.391 1.00 0.00 C ATOM 307 C TYR A 19 -1.466 7.966 -21.598 1.00 0.00 C ATOM 308 O TYR A 19 -1.487 8.355 -20.431 1.00 0.00 O ATOM 309 CB TYR A 19 -0.126 9.426 -23.192 1.00 0.00 C ATOM 310 CG TYR A 19 -0.098 10.671 -22.326 1.00 0.00 C ATOM 311 CD1 TYR A 19 1.123 11.137 -21.800 1.00 0.00 C ATOM 312 CD2 TYR A 19 -1.292 11.365 -22.042 1.00 0.00 C ATOM 313 CE1 TYR A 19 1.155 12.285 -20.991 1.00 0.00 C ATOM 314 CE2 TYR A 19 -1.264 12.524 -21.246 1.00 0.00 C ATOM 315 CZ TYR A 19 -0.040 12.986 -20.710 1.00 0.00 C ATOM 316 OH TYR A 19 0.004 14.104 -19.929 1.00 0.00 O ATOM 0 H TYR A 19 0.001 7.165 -24.258 1.00 0.00 H new ATOM 0 HA TYR A 19 0.658 8.159 -21.673 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.753 9.423 -23.837 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.999 9.467 -23.843 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.039 10.609 -22.020 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.231 11.006 -22.437 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.093 12.632 -20.584 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.179 13.062 -21.044 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.900 14.470 -19.831 1.00 0.00 H new ATOM 326 N PHE A 20 -2.530 7.374 -22.170 1.00 0.00 N ATOM 327 CA PHE A 20 -3.810 7.216 -21.472 1.00 0.00 C ATOM 328 C PHE A 20 -3.610 6.524 -20.128 1.00 0.00 C ATOM 329 O PHE A 20 -4.067 7.050 -19.110 1.00 0.00 O ATOM 330 CB PHE A 20 -4.912 6.541 -22.335 1.00 0.00 C ATOM 331 CG PHE A 20 -5.419 5.155 -21.908 1.00 0.00 C ATOM 332 CD1 PHE A 20 -6.097 4.970 -20.680 1.00 0.00 C ATOM 333 CD2 PHE A 20 -5.234 4.039 -22.746 1.00 0.00 C ATOM 334 CE1 PHE A 20 -6.539 3.693 -20.283 1.00 0.00 C ATOM 335 CE2 PHE A 20 -5.646 2.759 -22.337 1.00 0.00 C ATOM 336 CZ PHE A 20 -6.307 2.585 -21.111 1.00 0.00 C ATOM 0 H PHE A 20 -2.524 6.997 -23.118 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.189 8.220 -21.279 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.769 7.214 -22.367 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.533 6.458 -23.354 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.278 5.820 -20.038 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.771 4.168 -23.713 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.056 3.567 -19.343 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.453 1.905 -22.969 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.635 1.602 -20.807 1.00 0.00 H new ATOM 346 N VAL A 21 -2.905 5.389 -20.089 1.00 0.00 N ATOM 347 CA VAL A 21 -2.732 4.696 -18.829 1.00 0.00 C ATOM 348 C VAL A 21 -1.959 5.573 -17.846 1.00 0.00 C ATOM 349 O VAL A 21 -2.285 5.570 -16.669 1.00 0.00 O ATOM 350 CB VAL A 21 -2.118 3.301 -19.009 1.00 0.00 C ATOM 351 CG1 VAL A 21 -3.087 2.361 -19.739 1.00 0.00 C ATOM 352 CG2 VAL A 21 -0.762 3.251 -19.717 1.00 0.00 C ATOM 0 H VAL A 21 -2.461 4.949 -20.895 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.717 4.516 -18.399 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.937 2.972 -17.986 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.626 1.380 -19.853 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.006 2.265 -19.161 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.318 2.769 -20.723 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.426 2.216 -19.788 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.859 3.670 -20.719 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.034 3.831 -19.150 1.00 0.00 H new ATOM 362 N GLN A 22 -1.019 6.405 -18.296 1.00 0.00 N ATOM 363 CA GLN A 22 -0.292 7.276 -17.386 1.00 0.00 C ATOM 364 C GLN A 22 -1.149 8.454 -16.898 1.00 0.00 C ATOM 365 O GLN A 22 -0.939 8.927 -15.779 1.00 0.00 O ATOM 366 CB GLN A 22 1.038 7.701 -18.014 1.00 0.00 C ATOM 367 CG GLN A 22 1.944 6.531 -18.460 1.00 0.00 C ATOM 368 CD GLN A 22 2.194 5.429 -17.416 1.00 0.00 C ATOM 369 OE1 GLN A 22 1.287 4.781 -16.909 1.00 0.00 O ATOM 370 NE2 GLN A 22 3.441 5.147 -17.082 1.00 0.00 N ATOM 0 H GLN A 22 -0.749 6.491 -19.276 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.054 6.715 -16.482 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.831 8.332 -18.878 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.584 8.313 -17.296 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.500 6.072 -19.343 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.908 6.940 -18.763 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.211 5.675 -17.493 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.634 4.401 -16.413 1.00 0.00 H new ATOM 379 N MET A 23 -2.167 8.872 -17.659 1.00 0.00 N ATOM 380 CA MET A 23 -3.195 9.773 -17.129 1.00 0.00 C ATOM 381 C MET A 23 -3.936 9.073 -15.990 1.00 0.00 C ATOM 382 O MET A 23 -4.117 9.646 -14.917 1.00 0.00 O ATOM 383 CB MET A 23 -4.240 10.201 -18.172 1.00 0.00 C ATOM 384 CG MET A 23 -3.686 10.892 -19.418 1.00 0.00 C ATOM 385 SD MET A 23 -4.962 11.721 -20.417 1.00 0.00 S ATOM 386 CE MET A 23 -5.977 10.323 -20.988 1.00 0.00 C ATOM 0 H MET A 23 -2.300 8.604 -18.634 1.00 0.00 H new ATOM 0 HA MET A 23 -2.672 10.669 -16.796 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.797 9.318 -18.486 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.952 10.873 -17.692 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.939 11.626 -19.115 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.175 10.154 -20.036 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.024 10.624 -21.022 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.653 10.021 -21.984 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.862 9.485 -20.300 1.00 0.00 H new ATOM 396 N GLU A 24 -4.351 7.823 -16.207 1.00 0.00 N ATOM 397 CA GLU A 24 -5.096 7.059 -15.214 1.00 0.00 C ATOM 398 C GLU A 24 -4.218 6.752 -13.988 1.00 0.00 C ATOM 399 O GLU A 24 -4.729 6.697 -12.868 1.00 0.00 O ATOM 400 CB GLU A 24 -5.690 5.795 -15.862 1.00 0.00 C ATOM 401 CG GLU A 24 -6.671 6.098 -17.017 1.00 0.00 C ATOM 402 CD GLU A 24 -7.919 6.855 -16.548 1.00 0.00 C ATOM 403 OE1 GLU A 24 -7.900 8.104 -16.492 1.00 0.00 O ATOM 404 OE2 GLU A 24 -8.922 6.205 -16.181 1.00 0.00 O ATOM 0 H GLU A 24 -4.179 7.316 -17.075 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.932 7.655 -14.847 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.878 5.174 -16.239 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.208 5.214 -15.099 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.159 6.686 -17.779 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.974 5.162 -17.487 1.00 0.00 H new ATOM 411 N ALA A 25 -2.900 6.627 -14.177 1.00 0.00 N ATOM 412 CA ALA A 25 -1.919 6.472 -13.115 1.00 0.00 C ATOM 413 C ALA A 25 -1.873 7.734 -12.260 1.00 0.00 C ATOM 414 O ALA A 25 -1.982 7.645 -11.037 1.00 0.00 O ATOM 415 CB ALA A 25 -0.536 6.183 -13.717 1.00 0.00 C ATOM 0 H ALA A 25 -2.480 6.632 -15.107 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.207 5.632 -12.483 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.193 6.068 -12.915 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.579 5.265 -14.303 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.239 7.011 -14.361 1.00 0.00 H new ATOM 421 N ASP A 26 -1.758 8.909 -12.887 1.00 0.00 N ATOM 422 CA ASP A 26 -1.755 10.191 -12.181 1.00 0.00 C ATOM 423 C ASP A 26 -3.068 10.410 -11.426 1.00 0.00 C ATOM 424 O ASP A 26 -3.061 10.832 -10.271 1.00 0.00 O ATOM 425 CB ASP A 26 -1.524 11.342 -13.162 1.00 0.00 C ATOM 426 CG ASP A 26 -1.597 12.696 -12.438 1.00 0.00 C ATOM 427 OD1 ASP A 26 -0.632 13.057 -11.728 1.00 0.00 O ATOM 428 OD2 ASP A 26 -2.608 13.416 -12.594 1.00 0.00 O ATOM 0 H ASP A 26 -1.664 8.996 -13.899 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.941 10.169 -11.457 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.550 11.231 -13.638 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.272 11.307 -13.954 1.00 0.00 H new ATOM 433 N LYS A 27 -4.195 10.028 -12.035 1.00 0.00 N ATOM 434 CA LYS A 27 -5.520 10.044 -11.417 1.00 0.00 C ATOM 435 C LYS A 27 -5.600 9.148 -10.172 1.00 0.00 C ATOM 436 O LYS A 27 -6.500 9.337 -9.352 1.00 0.00 O ATOM 437 CB LYS A 27 -6.550 9.716 -12.519 1.00 0.00 C ATOM 438 CG LYS A 27 -8.020 9.587 -12.079 1.00 0.00 C ATOM 439 CD LYS A 27 -8.431 8.141 -11.745 1.00 0.00 C ATOM 440 CE LYS A 27 -8.500 7.198 -12.955 1.00 0.00 C ATOM 441 NZ LYS A 27 -9.596 7.547 -13.891 1.00 0.00 N ATOM 0 H LYS A 27 -4.209 9.690 -12.997 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.749 11.032 -11.018 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.491 10.493 -13.282 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.254 8.780 -12.993 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.187 10.216 -11.205 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.664 9.966 -12.872 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.722 7.734 -11.024 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.406 8.158 -11.259 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.550 7.227 -13.488 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.638 6.175 -12.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.576 6.901 -14.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.510 7.461 -13.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.471 8.525 -14.222 1.00 0.00 H new ATOM 455 N ARG A 28 -4.685 8.191 -9.976 1.00 0.00 N ATOM 456 CA ARG A 28 -4.575 7.370 -8.760 1.00 0.00 C ATOM 457 C ARG A 28 -3.261 7.648 -8.013 1.00 0.00 C ATOM 458 O ARG A 28 -2.897 6.881 -7.123 1.00 0.00 O ATOM 459 CB ARG A 28 -4.748 5.875 -9.121 1.00 0.00 C ATOM 460 CG ARG A 28 -6.136 5.405 -9.598 1.00 0.00 C ATOM 461 CD ARG A 28 -7.286 5.560 -8.586 1.00 0.00 C ATOM 462 NE ARG A 28 -7.716 6.959 -8.424 1.00 0.00 N ATOM 463 CZ ARG A 28 -8.790 7.414 -7.771 1.00 0.00 C ATOM 464 NH1 ARG A 28 -9.634 6.583 -7.167 1.00 0.00 N ATOM 465 NH2 ARG A 28 -8.992 8.727 -7.743 1.00 0.00 N ATOM 0 H ARG A 28 -3.981 7.959 -10.676 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.376 7.642 -8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.027 5.634 -9.902 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.478 5.286 -8.245 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.395 5.959 -10.500 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.065 4.354 -9.879 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.135 4.959 -8.912 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.970 5.167 -7.620 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.124 7.665 -8.862 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.468 5.577 -7.196 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.447 6.951 -6.674 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.337 9.354 -8.211 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.802 9.108 -7.254 1.00 0.00 H new ATOM 479 N LYS A 29 -2.566 8.749 -8.335 1.00 0.00 N ATOM 480 CA LYS A 29 -1.276 9.160 -7.766 1.00 0.00 C ATOM 481 C LYS A 29 -0.258 8.010 -7.711 1.00 0.00 C ATOM 482 O LYS A 29 0.559 7.935 -6.791 1.00 0.00 O ATOM 483 CB LYS A 29 -1.486 9.871 -6.412 1.00 0.00 C ATOM 484 CG LYS A 29 -2.367 11.126 -6.530 1.00 0.00 C ATOM 485 CD LYS A 29 -2.474 11.851 -5.179 1.00 0.00 C ATOM 486 CE LYS A 29 -3.261 13.168 -5.273 1.00 0.00 C ATOM 487 NZ LYS A 29 -4.704 12.970 -5.560 1.00 0.00 N ATOM 0 H LYS A 29 -2.906 9.409 -9.034 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.824 9.888 -8.440 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.944 9.176 -5.709 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.517 10.150 -5.999 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.948 11.800 -7.277 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.362 10.846 -6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.958 11.194 -4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.472 12.057 -4.802 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.156 13.714 -4.335 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.824 13.789 -6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.178 13.894 -5.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.813 12.475 -6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.134 12.402 -4.802 1.00 0.00 H new ATOM 501 N LEU A 30 -0.314 7.100 -8.685 1.00 0.00 N ATOM 502 CA LEU A 30 0.655 6.021 -8.836 1.00 0.00 C ATOM 503 C LEU A 30 1.968 6.601 -9.374 1.00 0.00 C ATOM 504 O LEU A 30 1.980 7.687 -9.963 1.00 0.00 O ATOM 505 CB LEU A 30 0.097 4.949 -9.790 1.00 0.00 C ATOM 506 CG LEU A 30 -1.168 4.221 -9.294 1.00 0.00 C ATOM 507 CD1 LEU A 30 -1.541 3.132 -10.301 1.00 0.00 C ATOM 508 CD2 LEU A 30 -1.010 3.580 -7.914 1.00 0.00 C ATOM 0 H LEU A 30 -1.043 7.094 -9.398 1.00 0.00 H new ATOM 0 HA LEU A 30 0.845 5.551 -7.871 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.126 5.419 -10.748 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.875 4.208 -9.972 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.948 4.977 -9.204 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.435 2.611 -9.959 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.735 3.586 -11.273 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.719 2.422 -10.390 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.941 3.087 -7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.205 2.846 -7.944 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.771 4.350 -7.180 1.00 0.00 H new ATOM 520 N ALA A 31 3.063 5.853 -9.228 1.00 0.00 N ATOM 521 CA ALA A 31 4.364 6.162 -9.818 1.00 0.00 C ATOM 522 C ALA A 31 4.893 4.871 -10.435 1.00 0.00 C ATOM 523 O ALA A 31 4.753 3.811 -9.824 1.00 0.00 O ATOM 524 CB ALA A 31 5.317 6.697 -8.743 1.00 0.00 C ATOM 0 H ALA A 31 3.068 4.992 -8.681 1.00 0.00 H new ATOM 0 HA ALA A 31 4.279 6.935 -10.582 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.283 6.924 -9.194 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.899 7.603 -8.305 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.447 5.945 -7.965 1.00 0.00 H new ATOM 530 N GLY A 32 5.422 4.928 -11.657 1.00 0.00 N ATOM 531 CA GLY A 32 5.644 3.737 -12.464 1.00 0.00 C ATOM 532 C GLY A 32 5.982 4.078 -13.906 1.00 0.00 C ATOM 533 O GLY A 32 6.113 5.253 -14.253 1.00 0.00 O ATOM 0 H GLY A 32 5.706 5.797 -12.110 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.455 3.152 -12.031 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.752 3.112 -12.439 1.00 0.00 H new ATOM 537 N TRP A 33 6.064 3.067 -14.772 1.00 0.00 N ATOM 538 CA TRP A 33 6.322 3.245 -16.193 1.00 0.00 C ATOM 539 C TRP A 33 5.396 2.387 -17.059 1.00 0.00 C ATOM 540 O TRP A 33 4.807 1.413 -16.582 1.00 0.00 O ATOM 541 CB TRP A 33 7.805 2.990 -16.502 1.00 0.00 C ATOM 542 CG TRP A 33 8.333 1.614 -16.221 1.00 0.00 C ATOM 543 CD1 TRP A 33 8.137 0.518 -16.990 1.00 0.00 C ATOM 544 CD2 TRP A 33 9.190 1.171 -15.122 1.00 0.00 C ATOM 545 NE1 TRP A 33 8.815 -0.558 -16.457 1.00 0.00 N ATOM 546 CE2 TRP A 33 9.504 -0.209 -15.315 1.00 0.00 C ATOM 547 CE3 TRP A 33 9.752 1.801 -13.990 1.00 0.00 C ATOM 548 CZ2 TRP A 33 10.351 -0.916 -14.447 1.00 0.00 C ATOM 549 CZ3 TRP A 33 10.593 1.098 -13.107 1.00 0.00 C ATOM 550 CH2 TRP A 33 10.897 -0.256 -13.334 1.00 0.00 C ATOM 0 H TRP A 33 5.951 2.091 -14.498 1.00 0.00 H new ATOM 0 HA TRP A 33 6.098 4.281 -16.449 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.974 3.209 -17.556 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.398 3.704 -15.930 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.538 0.490 -17.888 1.00 0.00 H new ATOM 0 HE1 TRP A 33 8.808 -1.496 -16.858 1.00 0.00 H new ATOM 0 HE3 TRP A 33 9.533 2.841 -13.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 10.580 -1.955 -14.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 11.008 1.603 -12.248 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.548 -0.787 -12.655 1.00 0.00 H new ATOM 561 N VAL A 34 5.302 2.744 -18.345 1.00 0.00 N ATOM 562 CA VAL A 34 4.624 1.955 -19.381 1.00 0.00 C ATOM 563 C VAL A 34 5.614 1.673 -20.515 1.00 0.00 C ATOM 564 O VAL A 34 6.528 2.463 -20.764 1.00 0.00 O ATOM 565 CB VAL A 34 3.319 2.650 -19.825 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.574 4.008 -20.482 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.492 1.787 -20.790 1.00 0.00 C ATOM 0 H VAL A 34 5.705 3.610 -18.703 1.00 0.00 H new ATOM 0 HA VAL A 34 4.307 0.987 -18.993 1.00 0.00 H new ATOM 0 HB VAL A 34 2.753 2.799 -18.905 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.624 4.454 -20.776 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.080 4.665 -19.775 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.200 3.874 -21.364 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.585 2.323 -21.071 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.080 1.575 -21.683 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.224 0.850 -20.301 1.00 0.00 H new ATOM 577 N LYS A 35 5.438 0.536 -21.189 1.00 0.00 N ATOM 578 CA LYS A 35 6.352 -0.043 -22.170 1.00 0.00 C ATOM 579 C LYS A 35 5.507 -0.773 -23.214 1.00 0.00 C ATOM 580 O LYS A 35 4.397 -1.212 -22.908 1.00 0.00 O ATOM 581 CB LYS A 35 7.264 -1.013 -21.390 1.00 0.00 C ATOM 582 CG LYS A 35 8.277 -1.828 -22.214 1.00 0.00 C ATOM 583 CD LYS A 35 9.153 -2.734 -21.327 1.00 0.00 C ATOM 584 CE LYS A 35 8.314 -3.768 -20.551 1.00 0.00 C ATOM 585 NZ LYS A 35 9.129 -4.672 -19.701 1.00 0.00 N ATOM 0 H LYS A 35 4.605 -0.037 -21.056 1.00 0.00 H new ATOM 0 HA LYS A 35 6.965 0.697 -22.685 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.816 -0.437 -20.647 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.629 -1.712 -20.845 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.743 -2.440 -22.941 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.915 -1.148 -22.778 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.883 -3.253 -21.948 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.713 -2.119 -20.622 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.594 -3.243 -19.923 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.742 -4.366 -21.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.500 -5.261 -19.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.714 -5.283 -20.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.744 -4.106 -19.082 1.00 0.00 H new ATOM 599 N ASN A 36 6.032 -0.954 -24.424 1.00 0.00 N ATOM 600 CA ASN A 36 5.428 -1.819 -25.438 1.00 0.00 C ATOM 601 C ASN A 36 6.411 -2.956 -25.711 1.00 0.00 C ATOM 602 O ASN A 36 7.581 -2.710 -26.010 1.00 0.00 O ATOM 603 CB ASN A 36 5.104 -1.037 -26.716 1.00 0.00 C ATOM 604 CG ASN A 36 4.471 -1.964 -27.751 1.00 0.00 C ATOM 605 OD1 ASN A 36 5.082 -2.303 -28.759 1.00 0.00 O ATOM 606 ND2 ASN A 36 3.250 -2.417 -27.506 1.00 0.00 N ATOM 0 H ASN A 36 6.893 -0.503 -24.731 1.00 0.00 H new ATOM 0 HA ASN A 36 4.480 -2.220 -25.079 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.424 -0.216 -26.487 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.014 -0.594 -27.121 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.803 -3.059 -28.161 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.757 -2.124 -26.662 1.00 0.00 H new ATOM 613 N ARG A 37 5.960 -4.197 -25.525 1.00 0.00 N ATOM 614 CA ARG A 37 6.798 -5.392 -25.589 1.00 0.00 C ATOM 615 C ARG A 37 7.100 -5.750 -27.039 1.00 0.00 C ATOM 616 O ARG A 37 6.330 -5.417 -27.940 1.00 0.00 O ATOM 617 CB ARG A 37 6.038 -6.555 -24.937 1.00 0.00 C ATOM 618 CG ARG A 37 5.877 -6.409 -23.414 1.00 0.00 C ATOM 619 CD ARG A 37 4.612 -7.123 -22.929 1.00 0.00 C ATOM 620 NE ARG A 37 4.548 -8.530 -23.345 1.00 0.00 N ATOM 621 CZ ARG A 37 4.835 -9.595 -22.588 1.00 0.00 C ATOM 622 NH1 ARG A 37 5.316 -9.457 -21.351 1.00 0.00 N ATOM 623 NH2 ARG A 37 4.622 -10.808 -23.085 1.00 0.00 N ATOM 0 H ARG A 37 4.982 -4.402 -25.322 1.00 0.00 H new ATOM 0 HA ARG A 37 7.737 -5.204 -25.068 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.051 -6.634 -25.392 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.563 -7.486 -25.151 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.750 -6.824 -22.910 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.828 -5.353 -23.149 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.567 -7.070 -21.841 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.737 -6.598 -23.311 1.00 0.00 H new ATOM 0 HE ARG A 37 4.256 -8.713 -24.305 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.472 -8.526 -20.965 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.528 -10.283 -20.791 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.246 -10.914 -24.027 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.834 -11.633 -22.524 1.00 0.00 H new ATOM 637 N ASP A 38 8.161 -6.533 -27.247 1.00 0.00 N ATOM 638 CA ASP A 38 8.485 -7.116 -28.550 1.00 0.00 C ATOM 639 C ASP A 38 7.366 -8.044 -29.044 1.00 0.00 C ATOM 640 O ASP A 38 7.136 -8.142 -30.250 1.00 0.00 O ATOM 641 CB ASP A 38 9.804 -7.891 -28.461 1.00 0.00 C ATOM 642 CG ASP A 38 10.153 -8.562 -29.802 1.00 0.00 C ATOM 643 OD1 ASP A 38 10.551 -7.851 -30.753 1.00 0.00 O ATOM 644 OD2 ASP A 38 10.071 -9.807 -29.899 1.00 0.00 O ATOM 0 H ASP A 38 8.823 -6.781 -26.512 1.00 0.00 H new ATOM 0 HA ASP A 38 8.587 -6.301 -29.267 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.607 -7.213 -28.172 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.730 -8.649 -27.681 1.00 0.00 H new ATOM 649 N ASP A 39 6.635 -8.688 -28.122 1.00 0.00 N ATOM 650 CA ASP A 39 5.475 -9.526 -28.451 1.00 0.00 C ATOM 651 C ASP A 39 4.268 -8.710 -28.944 1.00 0.00 C ATOM 652 O ASP A 39 3.309 -9.291 -29.458 1.00 0.00 O ATOM 653 CB ASP A 39 5.098 -10.469 -27.291 1.00 0.00 C ATOM 654 CG ASP A 39 4.035 -9.961 -26.307 1.00 0.00 C ATOM 655 OD1 ASP A 39 3.865 -8.742 -26.102 1.00 0.00 O ATOM 656 OD2 ASP A 39 3.432 -10.806 -25.609 1.00 0.00 O ATOM 0 H ASP A 39 6.834 -8.641 -27.123 1.00 0.00 H new ATOM 0 HA ASP A 39 5.781 -10.152 -29.289 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.746 -11.409 -27.717 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.003 -10.694 -26.727 1.00 0.00 H new ATOM 661 N GLY A 40 4.317 -7.379 -28.824 1.00 0.00 N ATOM 662 CA GLY A 40 3.370 -6.445 -29.403 1.00 0.00 C ATOM 663 C GLY A 40 2.466 -5.814 -28.350 1.00 0.00 C ATOM 664 O GLY A 40 1.951 -4.719 -28.594 1.00 0.00 O ATOM 0 H GLY A 40 5.054 -6.912 -28.296 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.912 -5.661 -29.931 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.758 -6.962 -30.142 1.00 0.00 H new ATOM 668 N ARG A 41 2.262 -6.457 -27.193 1.00 0.00 N ATOM 669 CA ARG A 41 1.293 -5.971 -26.210 1.00 0.00 C ATOM 670 C ARG A 41 1.948 -4.965 -25.267 1.00 0.00 C ATOM 671 O ARG A 41 3.173 -4.811 -25.253 1.00 0.00 O ATOM 672 CB ARG A 41 0.547 -7.152 -25.558 1.00 0.00 C ATOM 673 CG ARG A 41 1.024 -7.650 -24.189 1.00 0.00 C ATOM 674 CD ARG A 41 0.325 -8.960 -23.801 1.00 0.00 C ATOM 675 NE ARG A 41 0.883 -10.095 -24.547 1.00 0.00 N ATOM 676 CZ ARG A 41 0.323 -11.290 -24.753 1.00 0.00 C ATOM 677 NH1 ARG A 41 -0.908 -11.586 -24.339 1.00 0.00 N ATOM 678 NH2 ARG A 41 1.050 -12.195 -25.394 1.00 0.00 N ATOM 0 H ARG A 41 2.752 -7.308 -26.919 1.00 0.00 H new ATOM 0 HA ARG A 41 0.501 -5.398 -26.691 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.501 -6.870 -25.462 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.588 -7.993 -26.250 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.103 -7.803 -24.210 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.825 -6.890 -23.433 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.437 -9.133 -22.731 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.744 -8.879 -24.000 1.00 0.00 H new ATOM 0 HE ARG A 41 1.807 -9.954 -24.956 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.461 -10.887 -23.843 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.297 -12.512 -24.518 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.993 -11.964 -25.706 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.666 -13.122 -25.575 1.00 0.00 H new ATOM 692 N VAL A 42 1.149 -4.228 -24.509 1.00 0.00 N ATOM 693 CA VAL A 42 1.633 -3.173 -23.632 1.00 0.00 C ATOM 694 C VAL A 42 1.857 -3.777 -22.255 1.00 0.00 C ATOM 695 O VAL A 42 1.164 -4.715 -21.862 1.00 0.00 O ATOM 696 CB VAL A 42 0.624 -2.011 -23.654 1.00 0.00 C ATOM 697 CG1 VAL A 42 0.838 -0.947 -22.568 1.00 0.00 C ATOM 698 CG2 VAL A 42 0.732 -1.326 -25.020 1.00 0.00 C ATOM 0 H VAL A 42 0.136 -4.347 -24.486 1.00 0.00 H new ATOM 0 HA VAL A 42 2.586 -2.757 -23.959 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.356 -2.447 -23.461 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.079 -0.170 -22.665 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.760 -1.410 -21.584 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.827 -0.504 -22.683 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.027 -0.496 -25.067 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.746 -0.950 -25.159 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.500 -2.044 -25.806 1.00 0.00 H new ATOM 708 N GLU A 43 2.815 -3.222 -21.521 1.00 0.00 N ATOM 709 CA GLU A 43 3.178 -3.637 -20.181 1.00 0.00 C ATOM 710 C GLU A 43 3.299 -2.382 -19.325 1.00 0.00 C ATOM 711 O GLU A 43 3.748 -1.339 -19.809 1.00 0.00 O ATOM 712 CB GLU A 43 4.490 -4.426 -20.244 1.00 0.00 C ATOM 713 CG GLU A 43 4.799 -5.177 -18.942 1.00 0.00 C ATOM 714 CD GLU A 43 5.968 -6.153 -19.097 1.00 0.00 C ATOM 715 OE1 GLU A 43 5.860 -7.166 -19.822 1.00 0.00 O ATOM 716 OE2 GLU A 43 7.007 -5.964 -18.427 1.00 0.00 O ATOM 0 H GLU A 43 3.378 -2.442 -21.860 1.00 0.00 H new ATOM 0 HA GLU A 43 2.426 -4.290 -19.737 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.439 -5.140 -21.066 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.309 -3.742 -20.466 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.031 -4.458 -18.157 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.912 -5.724 -18.621 1.00 0.00 H new ATOM 723 N ILE A 44 2.889 -2.473 -18.065 1.00 0.00 N ATOM 724 CA ILE A 44 2.800 -1.356 -17.142 1.00 0.00 C ATOM 725 C ILE A 44 3.336 -1.879 -15.809 1.00 0.00 C ATOM 726 O ILE A 44 3.073 -3.030 -15.450 1.00 0.00 O ATOM 727 CB ILE A 44 1.331 -0.876 -17.000 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.457 -1.018 -18.274 1.00 0.00 C ATOM 729 CG2 ILE A 44 1.330 0.580 -16.498 1.00 0.00 C ATOM 730 CD1 ILE A 44 -1.013 -0.629 -18.080 1.00 0.00 C ATOM 0 H ILE A 44 2.601 -3.358 -17.647 1.00 0.00 H new ATOM 0 HA ILE A 44 3.372 -0.497 -17.493 1.00 0.00 H new ATOM 0 HB ILE A 44 0.861 -1.545 -16.279 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.883 -0.398 -19.063 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.504 -2.051 -18.619 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.302 0.928 -16.394 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.830 0.632 -15.531 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.857 1.212 -17.213 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.551 -0.758 -19.019 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.460 -1.265 -17.316 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.075 0.413 -17.767 1.00 0.00 H new ATOM 742 N LEU A 45 4.061 -1.055 -15.056 1.00 0.00 N ATOM 743 CA LEU A 45 4.629 -1.439 -13.765 1.00 0.00 C ATOM 744 C LEU A 45 4.641 -0.191 -12.897 1.00 0.00 C ATOM 745 O LEU A 45 5.204 0.816 -13.319 1.00 0.00 O ATOM 746 CB LEU A 45 6.034 -2.022 -14.004 1.00 0.00 C ATOM 747 CG LEU A 45 6.776 -2.500 -12.738 1.00 0.00 C ATOM 748 CD1 LEU A 45 7.847 -3.520 -13.147 1.00 0.00 C ATOM 749 CD2 LEU A 45 7.453 -1.355 -11.969 1.00 0.00 C ATOM 0 H LEU A 45 4.273 -0.095 -15.326 1.00 0.00 H new ATOM 0 HA LEU A 45 4.049 -2.208 -13.255 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.948 -2.862 -14.693 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.644 -1.266 -14.498 1.00 0.00 H new ATOM 0 HG LEU A 45 6.032 -2.941 -12.075 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.378 -3.865 -12.260 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.372 -4.369 -13.639 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.553 -3.051 -13.833 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.957 -1.756 -11.090 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.182 -0.865 -12.614 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.700 -0.631 -11.657 1.00 0.00 H new ATOM 761 N ALA A 46 4.013 -0.230 -11.720 1.00 0.00 N ATOM 762 CA ALA A 46 3.882 0.934 -10.849 1.00 0.00 C ATOM 763 C ALA A 46 3.720 0.507 -9.395 1.00 0.00 C ATOM 764 O ALA A 46 3.340 -0.632 -9.121 1.00 0.00 O ATOM 765 CB ALA A 46 2.653 1.756 -11.256 1.00 0.00 C ATOM 0 H ALA A 46 3.580 -1.074 -11.345 1.00 0.00 H new ATOM 0 HA ALA A 46 4.787 1.533 -10.951 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.562 2.623 -10.601 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.764 2.090 -12.288 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.758 1.140 -11.169 1.00 0.00 H new ATOM 771 N GLU A 47 3.941 1.446 -8.479 1.00 0.00 N ATOM 772 CA GLU A 47 3.743 1.296 -7.046 1.00 0.00 C ATOM 773 C GLU A 47 2.620 2.221 -6.577 1.00 0.00 C ATOM 774 O GLU A 47 2.375 3.277 -7.171 1.00 0.00 O ATOM 775 CB GLU A 47 5.058 1.538 -6.285 1.00 0.00 C ATOM 776 CG GLU A 47 5.607 2.970 -6.405 1.00 0.00 C ATOM 777 CD GLU A 47 6.849 3.181 -5.524 1.00 0.00 C ATOM 778 OE1 GLU A 47 7.855 2.463 -5.715 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.815 4.063 -4.634 1.00 0.00 O ATOM 0 H GLU A 47 4.279 2.375 -8.731 1.00 0.00 H new ATOM 0 HA GLU A 47 3.440 0.272 -6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.901 1.309 -5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.811 0.841 -6.654 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.860 3.176 -7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.833 3.681 -6.118 1.00 0.00 H new ATOM 786 N GLY A 48 1.942 1.813 -5.504 1.00 0.00 N ATOM 787 CA GLY A 48 0.854 2.542 -4.872 1.00 0.00 C ATOM 788 C GLY A 48 0.168 1.668 -3.821 1.00 0.00 C ATOM 789 O GLY A 48 0.557 0.512 -3.634 1.00 0.00 O ATOM 0 H GLY A 48 2.148 0.930 -5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.238 3.449 -4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.130 2.853 -5.625 1.00 0.00 H new ATOM 793 N PRO A 49 -0.835 2.193 -3.105 1.00 0.00 N ATOM 794 CA PRO A 49 -1.655 1.392 -2.211 1.00 0.00 C ATOM 795 C PRO A 49 -2.545 0.442 -3.022 1.00 0.00 C ATOM 796 O PRO A 49 -2.891 0.725 -4.171 1.00 0.00 O ATOM 797 CB PRO A 49 -2.448 2.400 -1.375 1.00 0.00 C ATOM 798 CG PRO A 49 -2.547 3.630 -2.278 1.00 0.00 C ATOM 799 CD PRO A 49 -1.273 3.579 -3.126 1.00 0.00 C ATOM 0 HA PRO A 49 -1.070 0.746 -1.556 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.434 2.015 -1.115 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.939 2.631 -0.439 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.441 3.596 -2.901 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.600 4.549 -1.694 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.469 3.911 -4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.506 4.237 -2.718 1.00 0.00 H new ATOM 807 N GLU A 50 -2.947 -0.679 -2.416 1.00 0.00 N ATOM 808 CA GLU A 50 -3.668 -1.754 -3.099 1.00 0.00 C ATOM 809 C GLU A 50 -4.946 -1.238 -3.770 1.00 0.00 C ATOM 810 O GLU A 50 -5.219 -1.585 -4.919 1.00 0.00 O ATOM 811 CB GLU A 50 -3.970 -2.871 -2.087 1.00 0.00 C ATOM 812 CG GLU A 50 -4.581 -4.119 -2.739 1.00 0.00 C ATOM 813 CD GLU A 50 -4.878 -5.208 -1.693 1.00 0.00 C ATOM 814 OE1 GLU A 50 -3.991 -6.041 -1.396 1.00 0.00 O ATOM 815 OE2 GLU A 50 -6.011 -5.252 -1.160 1.00 0.00 O ATOM 0 H GLU A 50 -2.779 -0.866 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.043 -2.154 -3.898 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.049 -3.149 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.655 -2.492 -1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.501 -3.848 -3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.896 -4.511 -3.491 1.00 0.00 H new ATOM 822 N ASN A 51 -5.704 -0.370 -3.089 1.00 0.00 N ATOM 823 CA ASN A 51 -6.948 0.176 -3.636 1.00 0.00 C ATOM 824 C ASN A 51 -6.692 1.007 -4.895 1.00 0.00 C ATOM 825 O ASN A 51 -7.444 0.901 -5.862 1.00 0.00 O ATOM 826 CB ASN A 51 -7.667 1.035 -2.588 1.00 0.00 C ATOM 827 CG ASN A 51 -8.948 1.630 -3.174 1.00 0.00 C ATOM 828 OD1 ASN A 51 -9.909 0.916 -3.440 1.00 0.00 O ATOM 829 ND2 ASN A 51 -8.991 2.934 -3.394 1.00 0.00 N ATOM 0 H ASN A 51 -5.475 -0.031 -2.155 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.582 -0.669 -3.906 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.907 0.429 -1.714 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.008 1.835 -2.250 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -9.831 3.357 -3.789 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.185 3.516 -3.168 1.00 0.00 H new ATOM 836 N ALA A 52 -5.628 1.817 -4.899 1.00 0.00 N ATOM 837 CA ALA A 52 -5.256 2.634 -6.049 1.00 0.00 C ATOM 838 C ALA A 52 -4.853 1.738 -7.217 1.00 0.00 C ATOM 839 O ALA A 52 -5.304 1.950 -8.342 1.00 0.00 O ATOM 840 CB ALA A 52 -4.103 3.565 -5.654 1.00 0.00 C ATOM 0 H ALA A 52 -5.002 1.922 -4.101 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.107 3.238 -6.363 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.821 4.178 -6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.420 4.210 -4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.247 2.970 -5.336 1.00 0.00 H new ATOM 846 N LEU A 53 -4.035 0.720 -6.942 1.00 0.00 N ATOM 847 CA LEU A 53 -3.547 -0.217 -7.948 1.00 0.00 C ATOM 848 C LEU A 53 -4.707 -0.997 -8.568 1.00 0.00 C ATOM 849 O LEU A 53 -4.765 -1.149 -9.784 1.00 0.00 O ATOM 850 CB LEU A 53 -2.521 -1.168 -7.311 1.00 0.00 C ATOM 851 CG LEU A 53 -1.206 -0.498 -6.865 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.430 -1.493 -6.008 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.292 -0.045 -8.006 1.00 0.00 C ATOM 0 H LEU A 53 -3.690 0.523 -6.002 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.060 0.340 -8.748 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.979 -1.647 -6.446 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.286 -1.957 -8.025 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.495 0.404 -6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.506 -1.039 -5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.026 -1.765 -5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.215 -2.387 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.606 0.414 -7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.013 -0.907 -8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.817 0.681 -8.627 1.00 0.00 H new ATOM 865 N GLN A 54 -5.656 -1.464 -7.760 1.00 0.00 N ATOM 866 CA GLN A 54 -6.808 -2.211 -8.250 1.00 0.00 C ATOM 867 C GLN A 54 -7.776 -1.314 -9.025 1.00 0.00 C ATOM 868 O GLN A 54 -8.262 -1.707 -10.087 1.00 0.00 O ATOM 869 CB GLN A 54 -7.510 -2.923 -7.082 1.00 0.00 C ATOM 870 CG GLN A 54 -6.724 -4.155 -6.598 1.00 0.00 C ATOM 871 CD GLN A 54 -6.688 -5.273 -7.648 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.712 -5.665 -8.201 1.00 0.00 O ATOM 873 NE2 GLN A 54 -5.522 -5.806 -7.968 1.00 0.00 N ATOM 0 H GLN A 54 -5.647 -1.335 -6.748 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.453 -2.967 -8.951 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.634 -2.225 -6.254 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.509 -3.230 -7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.705 -3.859 -6.351 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.176 -4.535 -5.682 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.670 -5.482 -7.510 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.474 -6.541 -8.673 1.00 0.00 H new ATOM 882 N SER A 55 -8.017 -0.093 -8.545 1.00 0.00 N ATOM 883 CA SER A 55 -8.832 0.880 -9.269 1.00 0.00 C ATOM 884 C SER A 55 -8.205 1.176 -10.636 1.00 0.00 C ATOM 885 O SER A 55 -8.910 1.255 -11.642 1.00 0.00 O ATOM 886 CB SER A 55 -8.980 2.169 -8.451 1.00 0.00 C ATOM 887 OG SER A 55 -9.548 1.915 -7.181 1.00 0.00 O ATOM 0 H SER A 55 -7.657 0.246 -7.653 1.00 0.00 H new ATOM 0 HA SER A 55 -9.826 0.460 -9.425 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.003 2.636 -8.327 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.605 2.877 -8.995 1.00 0.00 H new ATOM 0 HG SER A 55 -8.935 1.362 -6.653 1.00 0.00 H new ATOM 893 N PHE A 56 -6.874 1.280 -10.688 1.00 0.00 N ATOM 894 CA PHE A 56 -6.141 1.429 -11.928 1.00 0.00 C ATOM 895 C PHE A 56 -6.349 0.213 -12.837 1.00 0.00 C ATOM 896 O PHE A 56 -6.663 0.413 -14.006 1.00 0.00 O ATOM 897 CB PHE A 56 -4.665 1.683 -11.619 1.00 0.00 C ATOM 898 CG PHE A 56 -3.806 1.756 -12.854 1.00 0.00 C ATOM 899 CD1 PHE A 56 -3.340 0.574 -13.464 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.487 3.006 -13.408 1.00 0.00 C ATOM 901 CE1 PHE A 56 -2.575 0.646 -14.638 1.00 0.00 C ATOM 902 CE2 PHE A 56 -2.697 3.069 -14.561 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.252 1.896 -15.186 1.00 0.00 C ATOM 0 H PHE A 56 -6.279 1.262 -9.859 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.522 2.290 -12.477 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.572 2.616 -11.063 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.294 0.888 -10.972 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.572 -0.387 -13.028 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.849 3.913 -12.947 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.235 -0.260 -15.119 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.428 4.030 -14.973 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.661 1.955 -16.088 1.00 0.00 H new ATOM 913 N VAL A 57 -6.229 -1.025 -12.340 1.00 0.00 N ATOM 914 CA VAL A 57 -6.461 -2.229 -13.149 1.00 0.00 C ATOM 915 C VAL A 57 -7.848 -2.151 -13.802 1.00 0.00 C ATOM 916 O VAL A 57 -7.962 -2.360 -15.013 1.00 0.00 O ATOM 917 CB VAL A 57 -6.284 -3.503 -12.285 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.801 -4.781 -12.963 1.00 0.00 C ATOM 919 CG2 VAL A 57 -4.811 -3.745 -11.923 1.00 0.00 C ATOM 0 H VAL A 57 -5.970 -1.220 -11.373 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.722 -2.285 -13.948 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.878 -3.307 -11.392 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.645 -5.633 -12.301 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.865 -4.676 -13.174 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.260 -4.942 -13.896 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.729 -4.647 -11.317 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.227 -3.866 -12.835 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.430 -2.893 -11.359 1.00 0.00 H new ATOM 929 N GLU A 58 -8.884 -1.794 -13.035 1.00 0.00 N ATOM 930 CA GLU A 58 -10.232 -1.648 -13.570 1.00 0.00 C ATOM 931 C GLU A 58 -10.284 -0.551 -14.638 1.00 0.00 C ATOM 932 O GLU A 58 -10.929 -0.731 -15.668 1.00 0.00 O ATOM 933 CB GLU A 58 -11.232 -1.348 -12.440 1.00 0.00 C ATOM 934 CG GLU A 58 -11.419 -2.513 -11.458 1.00 0.00 C ATOM 935 CD GLU A 58 -12.128 -3.718 -12.104 1.00 0.00 C ATOM 936 OE1 GLU A 58 -13.378 -3.724 -12.178 1.00 0.00 O ATOM 937 OE2 GLU A 58 -11.446 -4.680 -12.524 1.00 0.00 O ATOM 0 H GLU A 58 -8.808 -1.601 -12.036 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.512 -2.591 -14.040 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.892 -0.471 -11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.197 -1.095 -12.878 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.445 -2.827 -11.081 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.998 -2.172 -10.600 1.00 0.00 H new ATOM 944 N ALA A 59 -9.578 0.560 -14.423 1.00 0.00 N ATOM 945 CA ALA A 59 -9.522 1.668 -15.369 1.00 0.00 C ATOM 946 C ALA A 59 -8.873 1.255 -16.696 1.00 0.00 C ATOM 947 O ALA A 59 -9.385 1.623 -17.756 1.00 0.00 O ATOM 948 CB ALA A 59 -8.785 2.859 -14.743 1.00 0.00 C ATOM 0 H ALA A 59 -9.026 0.714 -13.580 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.545 1.967 -15.596 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.749 3.681 -15.458 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.312 3.182 -13.845 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.770 2.561 -14.481 1.00 0.00 H new ATOM 954 N VAL A 60 -7.784 0.471 -16.671 1.00 0.00 N ATOM 955 CA VAL A 60 -7.185 -0.038 -17.906 1.00 0.00 C ATOM 956 C VAL A 60 -8.185 -0.977 -18.582 1.00 0.00 C ATOM 957 O VAL A 60 -8.468 -0.810 -19.766 1.00 0.00 O ATOM 958 CB VAL A 60 -5.836 -0.763 -17.691 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.150 -1.014 -19.043 1.00 0.00 C ATOM 960 CG2 VAL A 60 -4.847 0.033 -16.835 1.00 0.00 C ATOM 0 H VAL A 60 -7.307 0.180 -15.817 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.962 0.822 -18.538 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.083 -1.690 -17.174 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.201 -1.525 -18.880 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.793 -1.634 -19.668 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.969 -0.062 -19.541 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.923 -0.534 -16.725 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.632 0.986 -17.318 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.281 0.214 -15.852 1.00 0.00 H new ATOM 970 N LYS A 61 -8.753 -1.935 -17.837 1.00 0.00 N ATOM 971 CA LYS A 61 -9.668 -2.934 -18.386 1.00 0.00 C ATOM 972 C LYS A 61 -10.871 -2.262 -19.053 1.00 0.00 C ATOM 973 O LYS A 61 -11.281 -2.671 -20.139 1.00 0.00 O ATOM 974 CB LYS A 61 -10.084 -3.890 -17.255 1.00 0.00 C ATOM 975 CG LYS A 61 -10.888 -5.092 -17.769 1.00 0.00 C ATOM 976 CD LYS A 61 -11.175 -6.086 -16.635 1.00 0.00 C ATOM 977 CE LYS A 61 -11.974 -7.281 -17.173 1.00 0.00 C ATOM 978 NZ LYS A 61 -12.291 -8.270 -16.111 1.00 0.00 N ATOM 0 H LYS A 61 -8.588 -2.036 -16.835 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.171 -3.512 -19.165 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.193 -4.247 -16.739 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.680 -3.345 -16.523 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.827 -4.748 -18.202 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.334 -5.591 -18.564 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.238 -6.432 -16.198 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.734 -5.592 -15.841 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.901 -6.923 -17.622 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.405 -7.770 -17.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.831 -9.059 -16.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.407 -8.632 -15.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.857 -7.812 -15.368 1.00 0.00 H new ATOM 992 N ASN A 62 -11.412 -1.216 -18.424 1.00 0.00 N ATOM 993 CA ASN A 62 -12.521 -0.428 -18.951 1.00 0.00 C ATOM 994 C ASN A 62 -12.101 0.459 -20.132 1.00 0.00 C ATOM 995 O ASN A 62 -12.958 0.872 -20.914 1.00 0.00 O ATOM 996 CB ASN A 62 -13.096 0.444 -17.826 1.00 0.00 C ATOM 997 CG ASN A 62 -14.330 1.216 -18.284 1.00 0.00 C ATOM 998 OD1 ASN A 62 -15.343 0.629 -18.655 1.00 0.00 O ATOM 999 ND2 ASN A 62 -14.283 2.536 -18.254 1.00 0.00 N ATOM 0 H ASN A 62 -11.082 -0.889 -17.516 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.275 -1.121 -19.323 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.356 -0.185 -16.975 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.335 1.145 -17.484 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.095 3.082 -18.541 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.434 3.009 -17.943 1.00 0.00 H new ATOM 1006 N GLY A 63 -10.805 0.757 -20.279 1.00 0.00 N ATOM 1007 CA GLY A 63 -10.280 1.666 -21.288 1.00 0.00 C ATOM 1008 C GLY A 63 -10.908 3.056 -21.183 1.00 0.00 C ATOM 1009 O GLY A 63 -11.289 3.630 -22.203 1.00 0.00 O ATOM 0 H GLY A 63 -10.080 0.360 -19.682 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.199 1.747 -21.177 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.469 1.256 -22.280 1.00 0.00 H new ATOM 1013 N SER A 64 -11.093 3.551 -19.952 1.00 0.00 N ATOM 1014 CA SER A 64 -12.011 4.638 -19.624 1.00 0.00 C ATOM 1015 C SER A 64 -11.954 5.870 -20.550 1.00 0.00 C ATOM 1016 O SER A 64 -13.012 6.228 -21.076 1.00 0.00 O ATOM 1017 CB SER A 64 -11.856 5.005 -18.142 1.00 0.00 C ATOM 1018 OG SER A 64 -11.910 3.833 -17.342 1.00 0.00 O ATOM 0 H SER A 64 -10.592 3.193 -19.138 1.00 0.00 H new ATOM 0 HA SER A 64 -13.014 4.254 -19.808 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.908 5.520 -17.984 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.646 5.694 -17.845 1.00 0.00 H new ATOM 0 HG SER A 64 -11.809 4.076 -16.398 1.00 0.00 H new ATOM 1024 N PRO A 65 -10.800 6.526 -20.790 1.00 0.00 N ATOM 1025 CA PRO A 65 -10.760 7.690 -21.670 1.00 0.00 C ATOM 1026 C PRO A 65 -10.906 7.270 -23.141 1.00 0.00 C ATOM 1027 O PRO A 65 -11.775 7.792 -23.843 1.00 0.00 O ATOM 1028 CB PRO A 65 -9.425 8.382 -21.371 1.00 0.00 C ATOM 1029 CG PRO A 65 -8.531 7.249 -20.871 1.00 0.00 C ATOM 1030 CD PRO A 65 -9.505 6.308 -20.164 1.00 0.00 C ATOM 0 HA PRO A 65 -11.589 8.376 -21.494 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.011 8.855 -22.262 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.539 9.163 -20.619 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.018 6.751 -21.693 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.762 7.615 -20.191 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.190 5.270 -20.270 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.547 6.521 -19.096 1.00 0.00 H new ATOM 1038 N PHE A 66 -10.082 6.323 -23.600 1.00 0.00 N ATOM 1039 CA PHE A 66 -10.107 5.692 -24.916 1.00 0.00 C ATOM 1040 C PHE A 66 -9.178 4.472 -24.858 1.00 0.00 C ATOM 1041 O PHE A 66 -8.299 4.433 -23.992 1.00 0.00 O ATOM 1042 CB PHE A 66 -9.655 6.668 -26.021 1.00 0.00 C ATOM 1043 CG PHE A 66 -8.285 7.303 -25.834 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -8.148 8.482 -25.073 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -7.150 6.741 -26.451 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -6.885 9.076 -24.903 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -5.892 7.351 -26.302 1.00 0.00 C ATOM 1048 CZ PHE A 66 -5.755 8.510 -25.518 1.00 0.00 C ATOM 0 H PHE A 66 -9.329 5.954 -23.019 1.00 0.00 H new ATOM 0 HA PHE A 66 -11.125 5.392 -25.164 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.659 6.135 -26.972 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.395 7.465 -26.099 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.018 8.931 -24.618 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.246 5.840 -27.039 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.783 9.966 -24.300 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.028 6.928 -26.792 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.784 8.964 -25.389 1.00 0.00 H new ATOM 1058 N SER A 67 -9.388 3.517 -25.777 1.00 0.00 N ATOM 1059 CA SER A 67 -8.740 2.206 -26.000 1.00 0.00 C ATOM 1060 C SER A 67 -9.830 1.132 -26.121 1.00 0.00 C ATOM 1061 O SER A 67 -11.012 1.423 -25.900 1.00 0.00 O ATOM 1062 CB SER A 67 -7.689 1.809 -24.946 1.00 0.00 C ATOM 1063 OG SER A 67 -8.234 1.807 -23.649 1.00 0.00 O ATOM 0 H SER A 67 -10.114 3.663 -26.478 1.00 0.00 H new ATOM 0 HA SER A 67 -8.170 2.293 -26.925 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.296 0.819 -25.178 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.850 2.503 -24.988 1.00 0.00 H new ATOM 0 HG SER A 67 -7.525 1.985 -22.996 1.00 0.00 H new ATOM 1069 N LYS A 68 -9.447 -0.121 -26.397 1.00 0.00 N ATOM 1070 CA LYS A 68 -10.178 -1.255 -25.819 1.00 0.00 C ATOM 1071 C LYS A 68 -9.198 -2.387 -25.561 1.00 0.00 C ATOM 1072 O LYS A 68 -8.151 -2.445 -26.207 1.00 0.00 O ATOM 1073 CB LYS A 68 -11.426 -1.681 -26.632 1.00 0.00 C ATOM 1074 CG LYS A 68 -11.252 -2.685 -27.785 1.00 0.00 C ATOM 1075 CD LYS A 68 -10.393 -2.156 -28.937 1.00 0.00 C ATOM 1076 CE LYS A 68 -10.304 -3.149 -30.110 1.00 0.00 C ATOM 1077 NZ LYS A 68 -11.587 -3.293 -30.849 1.00 0.00 N ATOM 0 H LYS A 68 -8.661 -0.371 -26.997 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.607 -0.941 -24.868 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.147 -2.104 -25.932 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.875 -0.778 -27.046 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.800 -3.597 -27.396 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.235 -2.956 -28.171 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.809 -1.214 -29.294 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.389 -1.942 -28.569 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.529 -2.818 -30.801 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.998 -4.124 -29.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.461 -3.961 -31.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.320 -3.652 -30.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.878 -2.367 -31.223 1.00 0.00 H new ATOM 1091 N VAL A 69 -9.544 -3.294 -24.656 1.00 0.00 N ATOM 1092 CA VAL A 69 -8.657 -4.345 -24.178 1.00 0.00 C ATOM 1093 C VAL A 69 -9.385 -5.671 -24.397 1.00 0.00 C ATOM 1094 O VAL A 69 -10.587 -5.776 -24.140 1.00 0.00 O ATOM 1095 CB VAL A 69 -8.295 -4.079 -22.698 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -7.331 -5.127 -22.135 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -7.644 -2.697 -22.509 1.00 0.00 C ATOM 0 H VAL A 69 -10.468 -3.319 -24.225 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.710 -4.374 -24.718 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.241 -4.127 -22.159 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.109 -4.895 -21.094 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.790 -6.114 -22.197 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.407 -5.120 -22.714 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.405 -2.548 -21.456 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.730 -2.641 -23.100 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.336 -1.921 -22.837 1.00 0.00 H new ATOM 1107 N THR A 70 -8.654 -6.675 -24.873 1.00 0.00 N ATOM 1108 CA THR A 70 -9.166 -7.994 -25.229 1.00 0.00 C ATOM 1109 C THR A 70 -8.374 -9.100 -24.509 1.00 0.00 C ATOM 1110 O THR A 70 -8.749 -10.272 -24.565 1.00 0.00 O ATOM 1111 CB THR A 70 -9.145 -8.137 -26.767 1.00 0.00 C ATOM 1112 OG1 THR A 70 -7.876 -7.801 -27.301 1.00 0.00 O ATOM 1113 CG2 THR A 70 -10.161 -7.202 -27.437 1.00 0.00 C ATOM 0 H THR A 70 -7.649 -6.588 -25.027 1.00 0.00 H new ATOM 0 HA THR A 70 -10.198 -8.103 -24.896 1.00 0.00 H new ATOM 0 HB THR A 70 -9.389 -9.180 -26.969 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.894 -7.903 -28.276 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.117 -7.331 -28.518 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.164 -7.442 -27.084 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.925 -6.168 -27.185 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.307 -8.733 -23.792 1.00 0.00 N ATOM 1122 CA ASP A 71 -6.488 -9.602 -22.952 1.00 0.00 C ATOM 1123 C ASP A 71 -5.884 -8.713 -21.874 1.00 0.00 C ATOM 1124 O ASP A 71 -5.392 -7.628 -22.191 1.00 0.00 O ATOM 1125 CB ASP A 71 -5.362 -10.238 -23.780 1.00 0.00 C ATOM 1126 CG ASP A 71 -4.253 -10.841 -22.902 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.552 -11.762 -22.109 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.078 -10.425 -23.039 1.00 0.00 O ATOM 0 H ASP A 71 -6.977 -7.768 -23.784 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.086 -10.407 -22.525 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.780 -11.017 -24.418 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.930 -9.485 -24.439 1.00 0.00 H new ATOM 1133 N ILE A 72 -5.925 -9.155 -20.619 1.00 0.00 N ATOM 1134 CA ILE A 72 -5.305 -8.477 -19.489 1.00 0.00 C ATOM 1135 C ILE A 72 -4.805 -9.554 -18.525 1.00 0.00 C ATOM 1136 O ILE A 72 -5.513 -10.534 -18.268 1.00 0.00 O ATOM 1137 CB ILE A 72 -6.280 -7.458 -18.838 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -5.599 -6.747 -17.641 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.641 -8.056 -18.428 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -6.293 -5.448 -17.202 1.00 0.00 C ATOM 0 H ILE A 72 -6.403 -10.017 -20.356 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.454 -7.875 -19.809 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.511 -6.726 -19.612 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.569 -7.433 -16.795 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.566 -6.522 -17.906 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.261 -7.278 -17.982 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.142 -8.458 -19.309 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.484 -8.855 -17.703 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.754 -5.014 -16.360 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.300 -4.741 -18.032 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.318 -5.666 -16.903 1.00 0.00 H new ATOM 1152 N SER A 73 -3.608 -9.350 -17.978 1.00 0.00 N ATOM 1153 CA SER A 73 -3.015 -10.181 -16.939 1.00 0.00 C ATOM 1154 C SER A 73 -2.302 -9.252 -15.959 1.00 0.00 C ATOM 1155 O SER A 73 -1.804 -8.193 -16.353 1.00 0.00 O ATOM 1156 CB SER A 73 -2.038 -11.194 -17.559 1.00 0.00 C ATOM 1157 OG SER A 73 -2.691 -12.062 -18.473 1.00 0.00 O ATOM 0 H SER A 73 -3.006 -8.575 -18.257 1.00 0.00 H new ATOM 0 HA SER A 73 -3.781 -10.754 -16.416 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.238 -10.661 -18.072 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.573 -11.782 -16.768 1.00 0.00 H new ATOM 0 HG SER A 73 -2.040 -12.691 -18.849 1.00 0.00 H new ATOM 1163 N VAL A 74 -2.271 -9.634 -14.681 1.00 0.00 N ATOM 1164 CA VAL A 74 -1.798 -8.799 -13.584 1.00 0.00 C ATOM 1165 C VAL A 74 -1.014 -9.692 -12.618 1.00 0.00 C ATOM 1166 O VAL A 74 -1.393 -10.842 -12.372 1.00 0.00 O ATOM 1167 CB VAL A 74 -3.001 -8.119 -12.880 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -2.546 -7.137 -11.785 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -3.925 -7.376 -13.863 1.00 0.00 C ATOM 0 H VAL A 74 -2.583 -10.556 -14.376 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.147 -8.005 -13.951 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.564 -8.934 -12.425 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.420 -6.683 -11.318 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.969 -7.674 -11.032 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.926 -6.358 -12.229 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.749 -6.920 -13.314 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.359 -6.600 -14.379 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.322 -8.081 -14.593 1.00 0.00 H new ATOM 1179 N THR A 75 0.049 -9.137 -12.045 1.00 0.00 N ATOM 1180 CA THR A 75 0.790 -9.665 -10.908 1.00 0.00 C ATOM 1181 C THR A 75 0.913 -8.497 -9.920 1.00 0.00 C ATOM 1182 O THR A 75 0.917 -7.336 -10.343 1.00 0.00 O ATOM 1183 CB THR A 75 2.162 -10.182 -11.393 1.00 0.00 C ATOM 1184 OG1 THR A 75 2.013 -11.056 -12.501 1.00 0.00 O ATOM 1185 CG2 THR A 75 2.936 -10.940 -10.309 1.00 0.00 C ATOM 0 H THR A 75 0.438 -8.256 -12.382 1.00 0.00 H new ATOM 0 HA THR A 75 0.298 -10.509 -10.425 1.00 0.00 H new ATOM 0 HB THR A 75 2.724 -9.290 -11.670 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.895 -11.369 -12.792 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.891 -11.277 -10.712 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.113 -10.280 -9.460 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.355 -11.803 -9.983 1.00 0.00 H new ATOM 1193 N GLU A 76 1.024 -8.771 -8.619 1.00 0.00 N ATOM 1194 CA GLU A 76 1.206 -7.745 -7.598 1.00 0.00 C ATOM 1195 C GLU A 76 2.395 -8.138 -6.727 1.00 0.00 C ATOM 1196 O GLU A 76 2.621 -9.325 -6.464 1.00 0.00 O ATOM 1197 CB GLU A 76 -0.072 -7.541 -6.771 1.00 0.00 C ATOM 1198 CG GLU A 76 -1.210 -6.921 -7.599 1.00 0.00 C ATOM 1199 CD GLU A 76 -2.467 -6.633 -6.756 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -2.978 -7.553 -6.078 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -2.991 -5.497 -6.820 1.00 0.00 O ATOM 0 H GLU A 76 0.990 -9.719 -8.244 1.00 0.00 H new ATOM 0 HA GLU A 76 1.412 -6.786 -8.073 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.399 -8.500 -6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.148 -6.897 -5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.861 -5.993 -8.052 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.471 -7.596 -8.414 1.00 0.00 H new ATOM 1208 N SER A 77 3.143 -7.133 -6.277 1.00 0.00 N ATOM 1209 CA SER A 77 4.513 -7.263 -5.797 1.00 0.00 C ATOM 1210 C SER A 77 4.739 -6.304 -4.621 1.00 0.00 C ATOM 1211 O SER A 77 3.920 -5.418 -4.369 1.00 0.00 O ATOM 1212 CB SER A 77 5.472 -6.945 -6.958 1.00 0.00 C ATOM 1213 OG SER A 77 5.174 -7.722 -8.110 1.00 0.00 O ATOM 0 H SER A 77 2.798 -6.174 -6.236 1.00 0.00 H new ATOM 0 HA SER A 77 4.700 -8.278 -5.447 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.406 -5.886 -7.206 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.499 -7.136 -6.645 1.00 0.00 H new ATOM 0 HG SER A 77 5.800 -7.495 -8.829 1.00 0.00 H new ATOM 1219 N ARG A 78 5.851 -6.469 -3.900 1.00 0.00 N ATOM 1220 CA ARG A 78 6.247 -5.607 -2.775 1.00 0.00 C ATOM 1221 C ARG A 78 7.626 -4.973 -3.026 1.00 0.00 C ATOM 1222 O ARG A 78 8.133 -4.260 -2.160 1.00 0.00 O ATOM 1223 CB ARG A 78 6.241 -6.416 -1.455 1.00 0.00 C ATOM 1224 CG ARG A 78 4.875 -6.604 -0.766 1.00 0.00 C ATOM 1225 CD ARG A 78 3.829 -7.448 -1.507 1.00 0.00 C ATOM 1226 NE ARG A 78 4.343 -8.775 -1.897 1.00 0.00 N ATOM 1227 CZ ARG A 78 3.898 -9.517 -2.920 1.00 0.00 C ATOM 1228 NH1 ARG A 78 2.830 -9.136 -3.615 1.00 0.00 N ATOM 1229 NH2 ARG A 78 4.541 -10.628 -3.263 1.00 0.00 N ATOM 0 H ARG A 78 6.517 -7.220 -4.083 1.00 0.00 H new ATOM 0 HA ARG A 78 5.522 -4.798 -2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.659 -7.402 -1.658 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.913 -5.924 -0.751 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.048 -7.059 0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.448 -5.617 -0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.953 -7.574 -0.871 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.501 -6.913 -2.398 1.00 0.00 H new ATOM 0 HE ARG A 78 5.104 -9.161 -1.339 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.344 -8.273 -3.371 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.497 -9.706 -4.392 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.373 -10.916 -2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.203 -11.193 -4.042 1.00 0.00 H new ATOM 1243 N SER A 79 8.250 -5.227 -4.179 1.00 0.00 N ATOM 1244 CA SER A 79 9.612 -4.802 -4.484 1.00 0.00 C ATOM 1245 C SER A 79 9.750 -3.274 -4.577 1.00 0.00 C ATOM 1246 O SER A 79 10.834 -2.754 -4.303 1.00 0.00 O ATOM 1247 CB SER A 79 10.058 -5.466 -5.795 1.00 0.00 C ATOM 1248 OG SER A 79 9.669 -6.836 -5.830 1.00 0.00 O ATOM 0 H SER A 79 7.811 -5.745 -4.940 1.00 0.00 H new ATOM 0 HA SER A 79 10.256 -5.117 -3.663 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.620 -4.938 -6.642 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.141 -5.389 -5.896 1.00 0.00 H new ATOM 0 HG SER A 79 9.962 -7.238 -6.674 1.00 0.00 H new ATOM 1254 N LEU A 80 8.657 -2.568 -4.913 1.00 0.00 N ATOM 1255 CA LEU A 80 8.608 -1.134 -5.223 1.00 0.00 C ATOM 1256 C LEU A 80 9.485 -0.792 -6.441 1.00 0.00 C ATOM 1257 O LEU A 80 10.126 -1.670 -7.029 1.00 0.00 O ATOM 1258 CB LEU A 80 8.916 -0.278 -3.971 1.00 0.00 C ATOM 1259 CG LEU A 80 7.969 -0.500 -2.774 1.00 0.00 C ATOM 1260 CD1 LEU A 80 8.391 0.409 -1.613 1.00 0.00 C ATOM 1261 CD2 LEU A 80 6.496 -0.226 -3.110 1.00 0.00 C ATOM 0 H LEU A 80 7.739 -3.007 -4.978 1.00 0.00 H new ATOM 0 HA LEU A 80 7.589 -0.878 -5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.936 -0.487 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.879 0.774 -4.252 1.00 0.00 H new ATOM 0 HG LEU A 80 8.050 -1.552 -2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.722 0.253 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.413 0.171 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.339 1.451 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.883 -0.400 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.383 0.809 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.176 -0.892 -3.911 1.00 0.00 H new ATOM 1273 N GLU A 81 9.461 0.467 -6.882 1.00 0.00 N ATOM 1274 CA GLU A 81 10.187 0.935 -8.065 1.00 0.00 C ATOM 1275 C GLU A 81 10.784 2.346 -7.888 1.00 0.00 C ATOM 1276 O GLU A 81 11.732 2.693 -8.593 1.00 0.00 O ATOM 1277 CB GLU A 81 9.319 0.767 -9.328 1.00 0.00 C ATOM 1278 CG GLU A 81 8.033 1.604 -9.391 1.00 0.00 C ATOM 1279 CD GLU A 81 8.309 3.055 -9.808 1.00 0.00 C ATOM 1280 OE1 GLU A 81 8.679 3.272 -10.983 1.00 0.00 O ATOM 1281 OE2 GLU A 81 8.199 3.964 -8.959 1.00 0.00 O ATOM 0 H GLU A 81 8.927 1.203 -6.419 1.00 0.00 H new ATOM 0 HA GLU A 81 11.063 0.301 -8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.929 1.013 -10.197 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.047 -0.285 -9.418 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.339 1.150 -10.098 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.546 1.594 -8.416 1.00 0.00 H new ATOM 1288 N GLY A 82 10.330 3.113 -6.892 1.00 0.00 N ATOM 1289 CA GLY A 82 11.087 4.200 -6.284 1.00 0.00 C ATOM 1290 C GLY A 82 11.045 5.546 -7.016 1.00 0.00 C ATOM 1291 O GLY A 82 11.732 6.472 -6.575 1.00 0.00 O ATOM 0 H GLY A 82 9.405 2.989 -6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.717 4.350 -5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.128 3.888 -6.200 1.00 0.00 H new ATOM 1295 N HIS A 83 10.281 5.693 -8.103 1.00 0.00 N ATOM 1296 CA HIS A 83 10.047 6.993 -8.729 1.00 0.00 C ATOM 1297 C HIS A 83 8.933 7.744 -7.978 1.00 0.00 C ATOM 1298 O HIS A 83 8.333 7.232 -7.030 1.00 0.00 O ATOM 1299 CB HIS A 83 9.713 6.822 -10.224 1.00 0.00 C ATOM 1300 CG HIS A 83 10.822 6.180 -11.021 1.00 0.00 C ATOM 1301 ND1 HIS A 83 10.818 4.901 -11.524 1.00 0.00 N ATOM 1302 CD2 HIS A 83 12.008 6.753 -11.396 1.00 0.00 C ATOM 1303 CE1 HIS A 83 11.972 4.700 -12.179 1.00 0.00 C ATOM 1304 NE2 HIS A 83 12.738 5.808 -12.131 1.00 0.00 N ATOM 0 H HIS A 83 9.811 4.917 -8.570 1.00 0.00 H new ATOM 0 HA HIS A 83 10.957 7.590 -8.666 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.811 6.217 -10.319 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.488 7.799 -10.652 1.00 0.00 H new ATOM 0 HD1 HIS A 83 10.066 4.220 -11.418 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.326 7.759 -11.165 1.00 0.00 H new ATOM 0 HE1 HIS A 83 12.248 3.781 -12.674 1.00 0.00 H new ATOM 1312 N HIS A 84 8.643 8.967 -8.432 1.00 0.00 N ATOM 1313 CA HIS A 84 7.609 9.853 -7.892 1.00 0.00 C ATOM 1314 C HIS A 84 6.711 10.393 -9.020 1.00 0.00 C ATOM 1315 O HIS A 84 6.030 11.407 -8.852 1.00 0.00 O ATOM 1316 CB HIS A 84 8.292 10.976 -7.089 1.00 0.00 C ATOM 1317 CG HIS A 84 9.259 11.813 -7.899 1.00 0.00 C ATOM 1318 ND1 HIS A 84 10.620 11.622 -8.003 1.00 0.00 N ATOM 1319 CD2 HIS A 84 8.945 12.896 -8.680 1.00 0.00 C ATOM 1320 CE1 HIS A 84 11.112 12.562 -8.826 1.00 0.00 C ATOM 1321 NE2 HIS A 84 10.126 13.367 -9.270 1.00 0.00 N ATOM 0 H HIS A 84 9.143 9.383 -9.218 1.00 0.00 H new ATOM 0 HA HIS A 84 6.952 9.302 -7.219 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.525 11.628 -6.672 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.827 10.534 -6.248 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.958 13.314 -8.817 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.153 12.660 -9.095 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.220 14.159 -9.906 1.00 0.00 H new ATOM 1329 N ARG A 85 6.740 9.752 -10.195 1.00 0.00 N ATOM 1330 CA ARG A 85 6.091 10.201 -11.423 1.00 0.00 C ATOM 1331 C ARG A 85 5.687 8.986 -12.253 1.00 0.00 C ATOM 1332 O ARG A 85 6.149 7.874 -11.983 1.00 0.00 O ATOM 1333 CB ARG A 85 7.049 11.118 -12.216 1.00 0.00 C ATOM 1334 CG ARG A 85 8.428 10.488 -12.511 1.00 0.00 C ATOM 1335 CD ARG A 85 9.191 11.247 -13.604 1.00 0.00 C ATOM 1336 NE ARG A 85 8.527 11.069 -14.903 1.00 0.00 N ATOM 1337 CZ ARG A 85 8.493 11.928 -15.923 1.00 0.00 C ATOM 1338 NH1 ARG A 85 9.274 13.005 -15.946 1.00 0.00 N ATOM 1339 NH2 ARG A 85 7.645 11.683 -16.915 1.00 0.00 N ATOM 0 H ARG A 85 7.238 8.870 -10.316 1.00 0.00 H new ATOM 0 HA ARG A 85 5.195 10.773 -11.181 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.576 11.389 -13.160 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.196 12.042 -11.656 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.022 10.475 -11.597 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.293 9.451 -12.818 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.240 12.307 -13.354 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.218 10.885 -13.659 1.00 0.00 H new ATOM 0 HE ARG A 85 8.035 10.186 -15.041 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.915 13.187 -15.174 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.232 13.649 -16.736 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.045 10.858 -16.882 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.593 12.319 -17.710 1.00 0.00 H new ATOM 1353 N PHE A 86 4.862 9.197 -13.276 1.00 0.00 N ATOM 1354 CA PHE A 86 4.677 8.225 -14.344 1.00 0.00 C ATOM 1355 C PHE A 86 5.761 8.451 -15.402 1.00 0.00 C ATOM 1356 O PHE A 86 6.196 9.588 -15.609 1.00 0.00 O ATOM 1357 CB PHE A 86 3.272 8.366 -14.949 1.00 0.00 C ATOM 1358 CG PHE A 86 2.916 9.750 -15.472 1.00 0.00 C ATOM 1359 CD1 PHE A 86 3.367 10.179 -16.738 1.00 0.00 C ATOM 1360 CD2 PHE A 86 2.112 10.607 -14.696 1.00 0.00 C ATOM 1361 CE1 PHE A 86 3.028 11.456 -17.217 1.00 0.00 C ATOM 1362 CE2 PHE A 86 1.784 11.890 -15.172 1.00 0.00 C ATOM 1363 CZ PHE A 86 2.239 12.315 -16.432 1.00 0.00 C ATOM 0 H PHE A 86 4.306 10.045 -13.385 1.00 0.00 H new ATOM 0 HA PHE A 86 4.766 7.212 -13.952 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.175 7.652 -15.767 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.540 8.084 -14.192 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.976 9.523 -17.342 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.747 10.279 -13.734 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.374 11.778 -18.188 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.181 12.550 -14.567 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.983 13.299 -16.796 1.00 0.00 H new ATOM 1373 N SER A 87 6.148 7.400 -16.122 1.00 0.00 N ATOM 1374 CA SER A 87 7.175 7.458 -17.158 1.00 0.00 C ATOM 1375 C SER A 87 6.808 6.541 -18.331 1.00 0.00 C ATOM 1376 O SER A 87 5.945 5.662 -18.217 1.00 0.00 O ATOM 1377 CB SER A 87 8.530 7.086 -16.535 1.00 0.00 C ATOM 1378 OG SER A 87 8.860 7.984 -15.483 1.00 0.00 O ATOM 0 H SER A 87 5.750 6.469 -15.999 1.00 0.00 H new ATOM 0 HA SER A 87 7.245 8.469 -17.560 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.493 6.066 -16.152 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.307 7.111 -17.299 1.00 0.00 H new ATOM 0 HG SER A 87 9.725 7.732 -15.097 1.00 0.00 H new ATOM 1384 N ILE A 88 7.437 6.750 -19.485 1.00 0.00 N ATOM 1385 CA ILE A 88 7.096 6.070 -20.727 1.00 0.00 C ATOM 1386 C ILE A 88 8.430 5.633 -21.332 1.00 0.00 C ATOM 1387 O ILE A 88 9.274 6.472 -21.657 1.00 0.00 O ATOM 1388 CB ILE A 88 6.250 6.997 -21.645 1.00 0.00 C ATOM 1389 CG1 ILE A 88 5.020 7.565 -20.887 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.804 6.219 -22.892 1.00 0.00 C ATOM 1391 CD1 ILE A 88 3.958 8.297 -21.721 1.00 0.00 C ATOM 0 H ILE A 88 8.210 7.408 -19.582 1.00 0.00 H new ATOM 0 HA ILE A 88 6.463 5.196 -20.577 1.00 0.00 H new ATOM 0 HB ILE A 88 6.867 7.842 -21.951 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.532 6.740 -20.368 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.382 8.253 -20.123 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.211 6.870 -23.534 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.682 5.872 -23.438 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.202 5.362 -22.590 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.156 8.641 -21.068 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.413 9.153 -22.219 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.550 7.617 -22.469 1.00 0.00 H new ATOM 1403 N VAL A 89 8.643 4.319 -21.424 1.00 0.00 N ATOM 1404 CA VAL A 89 9.832 3.732 -22.030 1.00 0.00 C ATOM 1405 C VAL A 89 9.786 4.064 -23.528 1.00 0.00 C ATOM 1406 O VAL A 89 8.711 4.067 -24.131 1.00 0.00 O ATOM 1407 CB VAL A 89 9.856 2.212 -21.739 1.00 0.00 C ATOM 1408 CG1 VAL A 89 11.077 1.516 -22.357 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.875 1.932 -20.224 1.00 0.00 C ATOM 0 H VAL A 89 7.982 3.625 -21.073 1.00 0.00 H new ATOM 0 HA VAL A 89 10.756 4.136 -21.616 1.00 0.00 H new ATOM 0 HB VAL A 89 8.947 1.814 -22.190 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.046 0.452 -22.124 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.064 1.651 -23.439 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.989 1.951 -21.948 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.892 0.856 -20.053 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.763 2.383 -19.782 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.984 2.359 -19.764 1.00 0.00 H new