USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 965 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 GLN : amide:sc= -1.33 K(o=-0.67,f=0.029) USER MOD Set 1.2: A 102 ASN : amide:sc= 0.665 K(o=-0.67,f=0.029) USER MOD Set 2.1: A 15 TYR OH : rot -134:sc= -0.196 USER MOD Set 2.2: A 46 SER OG : rot -12:sc= 1.08 USER MOD Set 3.1: A 8 GLN : amide:sc= 0.705 K(o=2.4,f=-10!) USER MOD Set 3.2: A 12 LYS NZ :NH3+ -171:sc= 1.72 (180deg=1.22) USER MOD Single : A 1 SER N :NH3+ 147:sc= 0.0129 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 2 MET CE :methyl -160:sc= -0.606 (180deg=-0.912) USER MOD Single : A 3 ASN : amide:sc= -0.0438 X(o=-0.044,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.34 K(o=-0.34,f=-3.6!) USER MOD Single : A 18 GLN : amide:sc= -1.24! K(o=-1.2!,f=-0.044) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -3.75! K(o=-3.7!,f=-0.32) USER MOD Single : A 28 SER OG : rot 164:sc= 0.11 USER MOD Single : A 29 SER OG : rot -126:sc= -1.06 USER MOD Single : A 31 LYS NZ :NH3+ -163:sc= -0.066 (180deg=-0.384) USER MOD Single : A 34 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.3) USER MOD Single : A 43 TYR OH : rot -169:sc= -0.136 USER MOD Single : A 44 SER OG : rot 77:sc= 0.527 USER MOD Single : A 47 LYS NZ :NH3+ -131:sc= -1.05 (180deg=-3.16!) USER MOD Single : A 55 TYR OH : rot -122:sc= 0.349 USER MOD Single : A 59 CYS SG : rot 72:sc= -1.62! USER MOD Single : A 60 LYS NZ :NH3+ -164:sc= 1.96 (180deg=0.407!) USER MOD Single : A 69 GLN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.998 K(o=-1,f=-0.13) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc=-0.00667 K(o=-0.0067,f=-0.86) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 76:sc= 1.09 USER MOD Single : A 86 HIS : no HE2:sc= -1.58 K(o=-1.6,f=-3.6!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot -82:sc= 0.75 USER MOD Single : A 94 TYR OH : rot -127:sc= 0.663 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 15:sc= -1.61! USER MOD Single : A 105 CYS SG : rot 43:sc= 0.0599 USER MOD Single : A 106 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.98) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -1.24 K(o=-1.2,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 147:sc= 0.0296 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -144:sc= 1.11 (180deg=-0.142) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.470 18.286 -4.833 1.00 0.00 N ATOM 2 CA SER A 1 6.864 17.840 -4.622 1.00 0.00 C ATOM 3 C SER A 1 6.951 16.313 -4.689 1.00 0.00 C ATOM 4 O SER A 1 7.198 15.642 -3.683 1.00 0.00 O ATOM 5 CB SER A 1 7.376 18.350 -3.266 1.00 0.00 C ATOM 6 OG SER A 1 7.249 19.761 -3.165 1.00 0.00 O ATOM 0 H1 SER A 1 5.292 19.145 -4.275 1.00 0.00 H new ATOM 0 H2 SER A 1 5.320 18.491 -5.841 1.00 0.00 H new ATOM 0 H3 SER A 1 4.816 17.536 -4.531 1.00 0.00 H new ATOM 0 HA SER A 1 7.491 18.253 -5.412 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.817 17.874 -2.461 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.421 18.067 -3.139 1.00 0.00 H new ATOM 0 HG SER A 1 7.581 20.058 -2.292 1.00 0.00 H new ATOM 14 N MET A 2 6.742 15.764 -5.884 1.00 0.00 N ATOM 15 CA MET A 2 6.730 14.316 -6.074 1.00 0.00 C ATOM 16 C MET A 2 8.154 13.761 -6.041 1.00 0.00 C ATOM 17 O MET A 2 8.367 12.569 -5.802 1.00 0.00 O ATOM 18 CB MET A 2 6.047 13.961 -7.403 1.00 0.00 C ATOM 19 CG MET A 2 5.720 12.480 -7.551 1.00 0.00 C ATOM 20 SD MET A 2 4.567 11.909 -6.285 1.00 0.00 S ATOM 21 CE MET A 2 4.389 10.183 -6.723 1.00 0.00 C ATOM 0 H MET A 2 6.579 16.301 -6.736 1.00 0.00 H new ATOM 0 HA MET A 2 6.165 13.863 -5.260 1.00 0.00 H new ATOM 0 HB2 MET A 2 5.126 14.537 -7.493 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.694 14.264 -8.226 1.00 0.00 H new ATOM 0 HG2 MET A 2 5.292 12.300 -8.537 1.00 0.00 H new ATOM 0 HG3 MET A 2 6.640 11.898 -7.492 1.00 0.00 H new ATOM 0 HE1 MET A 2 3.473 9.789 -6.283 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.342 10.086 -7.808 1.00 0.00 H new ATOM 0 HE3 MET A 2 5.243 9.622 -6.345 1.00 0.00 H new ATOM 31 N ASN A 3 9.128 14.644 -6.268 1.00 0.00 N ATOM 32 CA ASN A 3 10.545 14.272 -6.249 1.00 0.00 C ATOM 33 C ASN A 3 10.903 13.559 -4.944 1.00 0.00 C ATOM 34 O ASN A 3 11.760 12.672 -4.926 1.00 0.00 O ATOM 35 CB ASN A 3 11.426 15.513 -6.428 1.00 0.00 C ATOM 36 CG ASN A 3 12.903 15.172 -6.538 1.00 0.00 C ATOM 37 OD1 ASN A 3 13.414 14.935 -7.633 1.00 0.00 O ATOM 38 ND2 ASN A 3 13.598 15.152 -5.411 1.00 0.00 N ATOM 0 H ASN A 3 8.960 15.630 -6.469 1.00 0.00 H new ATOM 0 HA ASN A 3 10.726 13.587 -7.078 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.113 16.049 -7.324 1.00 0.00 H new ATOM 0 HB3 ASN A 3 11.274 16.186 -5.584 1.00 0.00 H new ATOM 0 HD21 ASN A 3 14.594 14.934 -5.430 1.00 0.00 H new ATOM 0 HD22 ASN A 3 13.137 15.354 -4.524 1.00 0.00 H new ATOM 45 N GLU A 4 10.220 13.946 -3.863 1.00 0.00 N ATOM 46 CA GLU A 4 10.389 13.308 -2.555 1.00 0.00 C ATOM 47 C GLU A 4 10.355 11.788 -2.702 1.00 0.00 C ATOM 48 O GLU A 4 11.161 11.065 -2.108 1.00 0.00 O ATOM 49 CB GLU A 4 9.271 13.757 -1.602 1.00 0.00 C ATOM 50 CG GLU A 4 9.375 13.155 -0.202 1.00 0.00 C ATOM 51 CD GLU A 4 8.126 13.365 0.646 1.00 0.00 C ATOM 52 OE1 GLU A 4 7.287 14.219 0.292 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.986 12.670 1.674 1.00 0.00 O ATOM 0 H GLU A 4 9.539 14.705 -3.869 1.00 0.00 H new ATOM 0 HA GLU A 4 11.354 13.606 -2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.289 14.844 -1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.308 13.485 -2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.570 12.086 -0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.231 13.594 0.311 1.00 0.00 H new ATOM 60 N LEU A 5 9.417 11.317 -3.513 1.00 0.00 N ATOM 61 CA LEU A 5 9.272 9.897 -3.781 1.00 0.00 C ATOM 62 C LEU A 5 10.177 9.487 -4.942 1.00 0.00 C ATOM 63 O LEU A 5 10.735 8.398 -4.930 1.00 0.00 O ATOM 64 CB LEU A 5 7.793 9.566 -4.069 1.00 0.00 C ATOM 65 CG LEU A 5 7.457 8.072 -4.287 1.00 0.00 C ATOM 66 CD1 LEU A 5 6.020 7.770 -3.867 1.00 0.00 C ATOM 67 CD2 LEU A 5 7.665 7.668 -5.747 1.00 0.00 C ATOM 0 H LEU A 5 8.741 11.906 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 5 9.579 9.327 -2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.191 9.935 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.485 10.119 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 5 8.136 7.490 -3.664 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.808 6.713 -4.030 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.892 8.007 -2.811 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.333 8.374 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.421 6.613 -5.871 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.017 8.268 -6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.705 7.835 -6.026 1.00 0.00 H new ATOM 79 N GLU A 6 10.340 10.380 -5.923 1.00 0.00 N ATOM 80 CA GLU A 6 11.110 10.083 -7.145 1.00 0.00 C ATOM 81 C GLU A 6 12.628 10.132 -6.907 1.00 0.00 C ATOM 82 O GLU A 6 13.408 9.904 -7.834 1.00 0.00 O ATOM 83 CB GLU A 6 10.749 11.083 -8.252 1.00 0.00 C ATOM 84 CG GLU A 6 9.261 11.162 -8.567 1.00 0.00 C ATOM 85 CD GLU A 6 8.952 12.171 -9.663 1.00 0.00 C ATOM 86 OE1 GLU A 6 9.145 13.387 -9.435 1.00 0.00 O ATOM 87 OE2 GLU A 6 8.526 11.758 -10.761 1.00 0.00 O ATOM 0 H GLU A 6 9.948 11.321 -5.898 1.00 0.00 H new ATOM 0 HA GLU A 6 10.846 9.069 -7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.099 12.073 -7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.286 10.811 -9.160 1.00 0.00 H new ATOM 0 HG2 GLU A 6 8.904 10.178 -8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 6 8.715 11.433 -7.663 1.00 0.00 H new ATOM 94 N ALA A 7 13.027 10.452 -5.678 1.00 0.00 N ATOM 95 CA ALA A 7 14.440 10.595 -5.301 1.00 0.00 C ATOM 96 C ALA A 7 15.356 9.501 -5.883 1.00 0.00 C ATOM 97 O ALA A 7 16.361 9.811 -6.526 1.00 0.00 O ATOM 98 CB ALA A 7 14.563 10.631 -3.780 1.00 0.00 C ATOM 0 H ALA A 7 12.379 10.621 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 7 14.783 11.534 -5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 7 15.612 10.737 -3.502 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.997 11.476 -3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 7 14.169 9.705 -3.361 1.00 0.00 H new ATOM 104 N GLN A 8 15.016 8.232 -5.659 1.00 0.00 N ATOM 105 CA GLN A 8 15.898 7.120 -6.044 1.00 0.00 C ATOM 106 C GLN A 8 15.886 6.889 -7.563 1.00 0.00 C ATOM 107 O GLN A 8 14.847 6.998 -8.212 1.00 0.00 O ATOM 108 CB GLN A 8 15.522 5.834 -5.285 1.00 0.00 C ATOM 109 CG GLN A 8 15.701 5.933 -3.763 1.00 0.00 C ATOM 110 CD GLN A 8 14.490 6.510 -3.032 1.00 0.00 C ATOM 111 OE1 GLN A 8 13.695 7.261 -3.596 1.00 0.00 O ATOM 112 NE2 GLN A 8 14.352 6.173 -1.758 1.00 0.00 N ATOM 0 H GLN A 8 14.143 7.945 -5.216 1.00 0.00 H new ATOM 0 HA GLN A 8 16.915 7.394 -5.765 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.483 5.586 -5.503 1.00 0.00 H new ATOM 0 HB3 GLN A 8 16.132 5.012 -5.660 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.913 4.940 -3.367 1.00 0.00 H new ATOM 0 HG3 GLN A 8 16.571 6.553 -3.549 1.00 0.00 H new ATOM 0 HE21 GLN A 8 15.029 5.548 -1.320 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.569 6.538 -1.216 1.00 0.00 H new ATOM 121 N THR A 9 17.048 6.527 -8.112 1.00 0.00 N ATOM 122 CA THR A 9 17.273 6.541 -9.560 1.00 0.00 C ATOM 123 C THR A 9 16.988 5.194 -10.238 1.00 0.00 C ATOM 124 O THR A 9 17.454 4.147 -9.794 1.00 0.00 O ATOM 125 CB THR A 9 18.730 6.963 -9.864 1.00 0.00 C ATOM 126 OG1 THR A 9 19.054 8.153 -9.131 1.00 0.00 O ATOM 127 CG2 THR A 9 18.942 7.208 -11.355 1.00 0.00 C ATOM 0 H THR A 9 17.855 6.218 -7.570 1.00 0.00 H new ATOM 0 HA THR A 9 16.566 7.262 -9.970 1.00 0.00 H new ATOM 0 HB THR A 9 19.386 6.148 -9.557 1.00 0.00 H new ATOM 0 HG1 THR A 9 19.978 8.415 -9.325 1.00 0.00 H new ATOM 0 HG21 THR A 9 19.976 7.503 -11.532 1.00 0.00 H new ATOM 0 HG22 THR A 9 18.725 6.294 -11.908 1.00 0.00 H new ATOM 0 HG23 THR A 9 18.276 8.002 -11.692 1.00 0.00 H new ATOM 135 N ARG A 10 16.194 5.262 -11.316 1.00 0.00 N ATOM 136 CA ARG A 10 15.826 4.117 -12.178 1.00 0.00 C ATOM 137 C ARG A 10 15.289 2.904 -11.407 1.00 0.00 C ATOM 138 O ARG A 10 15.037 1.854 -11.999 1.00 0.00 O ATOM 139 CB ARG A 10 17.016 3.676 -13.044 1.00 0.00 C ATOM 140 CG ARG A 10 17.636 4.794 -13.878 1.00 0.00 C ATOM 141 CD ARG A 10 18.527 4.245 -14.990 1.00 0.00 C ATOM 142 NE ARG A 10 17.743 3.744 -16.126 1.00 0.00 N ATOM 143 CZ ARG A 10 17.651 2.461 -16.488 1.00 0.00 C ATOM 144 NH1 ARG A 10 18.243 1.511 -15.775 1.00 0.00 N ATOM 145 NH2 ARG A 10 16.951 2.126 -17.563 1.00 0.00 N ATOM 0 H ARG A 10 15.775 6.139 -11.626 1.00 0.00 H new ATOM 0 HA ARG A 10 15.014 4.483 -12.807 1.00 0.00 H new ATOM 0 HB2 ARG A 10 17.784 3.253 -12.397 1.00 0.00 H new ATOM 0 HB3 ARG A 10 16.688 2.879 -13.712 1.00 0.00 H new ATOM 0 HG2 ARG A 10 16.845 5.404 -14.314 1.00 0.00 H new ATOM 0 HG3 ARG A 10 18.222 5.447 -13.232 1.00 0.00 H new ATOM 0 HD2 ARG A 10 19.203 5.028 -15.333 1.00 0.00 H new ATOM 0 HD3 ARG A 10 19.147 3.440 -14.594 1.00 0.00 H new ATOM 0 HE ARG A 10 17.229 4.428 -16.682 1.00 0.00 H new ATOM 0 HH11 ARG A 10 18.775 1.757 -14.940 1.00 0.00 H new ATOM 0 HH12 ARG A 10 18.165 0.535 -16.062 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.484 2.847 -18.112 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.880 1.147 -17.841 1.00 0.00 H new ATOM 159 N VAL A 11 15.106 3.045 -10.105 1.00 0.00 N ATOM 160 CA VAL A 11 14.447 2.028 -9.303 1.00 0.00 C ATOM 161 C VAL A 11 13.105 2.557 -8.835 1.00 0.00 C ATOM 162 O VAL A 11 12.130 1.815 -8.708 1.00 0.00 O ATOM 163 CB VAL A 11 15.314 1.599 -8.087 1.00 0.00 C ATOM 164 CG1 VAL A 11 15.644 2.794 -7.194 1.00 0.00 C ATOM 165 CG2 VAL A 11 14.625 0.494 -7.285 1.00 0.00 C ATOM 0 H VAL A 11 15.408 3.863 -9.576 1.00 0.00 H new ATOM 0 HA VAL A 11 14.302 1.142 -9.921 1.00 0.00 H new ATOM 0 HB VAL A 11 16.252 1.201 -8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 11 16.251 2.462 -6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 11 16.196 3.537 -7.770 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.720 3.237 -6.823 1.00 0.00 H new ATOM 0 HG21 VAL A 11 15.253 0.212 -6.440 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.664 0.855 -6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.466 -0.374 -7.924 1.00 0.00 H new ATOM 175 N LYS A 12 13.062 3.865 -8.602 1.00 0.00 N ATOM 176 CA LYS A 12 11.854 4.511 -8.124 1.00 0.00 C ATOM 177 C LYS A 12 10.975 4.894 -9.310 1.00 0.00 C ATOM 178 O LYS A 12 9.804 4.540 -9.364 1.00 0.00 O ATOM 179 CB LYS A 12 12.211 5.755 -7.291 1.00 0.00 C ATOM 180 CG LYS A 12 11.447 5.867 -5.978 1.00 0.00 C ATOM 181 CD LYS A 12 11.937 4.868 -4.933 1.00 0.00 C ATOM 182 CE LYS A 12 11.113 4.936 -3.647 1.00 0.00 C ATOM 183 NZ LYS A 12 11.031 6.314 -3.086 1.00 0.00 N ATOM 0 H LYS A 12 13.853 4.495 -8.738 1.00 0.00 H new ATOM 0 HA LYS A 12 11.304 3.819 -7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.280 5.741 -7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.018 6.646 -7.888 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.550 6.879 -5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.385 5.704 -6.163 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.886 3.859 -5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.984 5.067 -4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.106 4.569 -3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.553 4.271 -2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.595 6.279 -2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.987 6.716 -3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.453 6.910 -3.713 1.00 0.00 H new ATOM 197 N LEU A 13 11.571 5.590 -10.274 1.00 0.00 N ATOM 198 CA LEU A 13 10.843 6.095 -11.438 1.00 0.00 C ATOM 199 C LEU A 13 10.125 4.969 -12.187 1.00 0.00 C ATOM 200 O LEU A 13 8.972 5.125 -12.589 1.00 0.00 O ATOM 201 CB LEU A 13 11.794 6.840 -12.392 1.00 0.00 C ATOM 202 CG LEU A 13 12.318 8.204 -11.898 1.00 0.00 C ATOM 203 CD1 LEU A 13 11.162 9.138 -11.551 1.00 0.00 C ATOM 204 CD2 LEU A 13 13.260 8.041 -10.707 1.00 0.00 C ATOM 0 H LEU A 13 12.565 5.820 -10.273 1.00 0.00 H new ATOM 0 HA LEU A 13 10.088 6.791 -11.072 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.650 6.197 -12.595 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.278 6.993 -13.340 1.00 0.00 H new ATOM 0 HG LEU A 13 12.887 8.653 -12.712 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.557 10.093 -11.205 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.546 9.299 -12.436 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.556 8.690 -10.764 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.611 9.021 -10.384 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.729 7.557 -9.887 1.00 0.00 H new ATOM 0 HD23 LEU A 13 14.113 7.428 -10.999 1.00 0.00 H new ATOM 216 N ASN A 14 10.803 3.836 -12.362 1.00 0.00 N ATOM 217 CA ASN A 14 10.225 2.701 -13.088 1.00 0.00 C ATOM 218 C ASN A 14 8.985 2.176 -12.363 1.00 0.00 C ATOM 219 O ASN A 14 7.909 2.032 -12.957 1.00 0.00 O ATOM 220 CB ASN A 14 11.259 1.572 -13.245 1.00 0.00 C ATOM 221 CG ASN A 14 12.491 1.999 -14.030 1.00 0.00 C ATOM 222 OD1 ASN A 14 12.909 3.156 -13.977 1.00 0.00 O ATOM 223 ND2 ASN A 14 13.085 1.065 -14.759 1.00 0.00 N ATOM 0 H ASN A 14 11.749 3.677 -12.014 1.00 0.00 H new ATOM 0 HA ASN A 14 9.933 3.047 -14.080 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.566 1.228 -12.257 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.791 0.725 -13.747 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.918 1.294 -15.301 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.709 0.117 -14.778 1.00 0.00 H new ATOM 230 N TYR A 15 9.148 1.912 -11.070 1.00 0.00 N ATOM 231 CA TYR A 15 8.062 1.421 -10.224 1.00 0.00 C ATOM 232 C TYR A 15 6.920 2.431 -10.190 1.00 0.00 C ATOM 233 O TYR A 15 5.756 2.058 -10.289 1.00 0.00 O ATOM 234 CB TYR A 15 8.599 1.166 -8.808 1.00 0.00 C ATOM 235 CG TYR A 15 7.583 0.655 -7.784 1.00 0.00 C ATOM 236 CD1 TYR A 15 6.618 1.499 -7.229 1.00 0.00 C ATOM 237 CD2 TYR A 15 7.626 -0.661 -7.336 1.00 0.00 C ATOM 238 CE1 TYR A 15 5.734 1.048 -6.269 1.00 0.00 C ATOM 239 CE2 TYR A 15 6.740 -1.121 -6.380 1.00 0.00 C ATOM 240 CZ TYR A 15 5.798 -0.264 -5.847 1.00 0.00 C ATOM 241 OH TYR A 15 4.921 -0.720 -4.888 1.00 0.00 O ATOM 0 H TYR A 15 10.034 2.032 -10.579 1.00 0.00 H new ATOM 0 HA TYR A 15 7.676 0.488 -10.634 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.412 0.443 -8.875 1.00 0.00 H new ATOM 0 HB3 TYR A 15 9.028 2.095 -8.432 1.00 0.00 H new ATOM 0 HD1 TYR A 15 6.562 2.526 -7.558 1.00 0.00 H new ATOM 0 HD2 TYR A 15 8.365 -1.336 -7.742 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.997 1.718 -5.851 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.785 -2.149 -6.051 1.00 0.00 H new ATOM 0 HH TYR A 15 5.412 -1.237 -4.216 1.00 0.00 H new ATOM 251 N LEU A 16 7.269 3.709 -10.058 1.00 0.00 N ATOM 252 CA LEU A 16 6.280 4.780 -9.969 1.00 0.00 C ATOM 253 C LEU A 16 5.471 4.882 -11.257 1.00 0.00 C ATOM 254 O LEU A 16 4.242 4.930 -11.228 1.00 0.00 O ATOM 255 CB LEU A 16 6.961 6.123 -9.672 1.00 0.00 C ATOM 256 CG LEU A 16 6.009 7.325 -9.543 1.00 0.00 C ATOM 257 CD1 LEU A 16 5.005 7.101 -8.414 1.00 0.00 C ATOM 258 CD2 LEU A 16 6.798 8.613 -9.321 1.00 0.00 C ATOM 0 H LEU A 16 8.236 4.029 -10.010 1.00 0.00 H new ATOM 0 HA LEU A 16 5.602 4.540 -9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.528 6.028 -8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.679 6.332 -10.465 1.00 0.00 H new ATOM 0 HG LEU A 16 5.452 7.423 -10.475 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.342 7.963 -8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.417 6.207 -8.622 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.539 6.973 -7.472 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.108 9.452 -9.232 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.385 8.527 -8.406 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.466 8.781 -10.166 1.00 0.00 H new ATOM 270 N ASP A 17 6.168 4.907 -12.385 1.00 0.00 N ATOM 271 CA ASP A 17 5.518 5.013 -13.686 1.00 0.00 C ATOM 272 C ASP A 17 4.574 3.830 -13.899 1.00 0.00 C ATOM 273 O ASP A 17 3.456 3.993 -14.381 1.00 0.00 O ATOM 274 CB ASP A 17 6.571 5.077 -14.800 1.00 0.00 C ATOM 275 CG ASP A 17 5.968 5.328 -16.174 1.00 0.00 C ATOM 276 OD1 ASP A 17 5.378 6.410 -16.382 1.00 0.00 O ATOM 277 OD2 ASP A 17 6.099 4.456 -17.059 1.00 0.00 O ATOM 0 H ASP A 17 7.186 4.855 -12.426 1.00 0.00 H new ATOM 0 HA ASP A 17 4.931 5.931 -13.717 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.285 5.869 -14.573 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.129 4.141 -14.820 1.00 0.00 H new ATOM 282 N GLN A 18 5.027 2.645 -13.497 1.00 0.00 N ATOM 283 CA GLN A 18 4.216 1.429 -13.580 1.00 0.00 C ATOM 284 C GLN A 18 2.991 1.530 -12.663 1.00 0.00 C ATOM 285 O GLN A 18 1.844 1.368 -13.105 1.00 0.00 O ATOM 286 CB GLN A 18 5.064 0.216 -13.177 1.00 0.00 C ATOM 287 CG GLN A 18 4.319 -1.114 -13.241 1.00 0.00 C ATOM 288 CD GLN A 18 5.107 -2.263 -12.632 1.00 0.00 C ATOM 289 OE1 GLN A 18 5.005 -3.404 -13.079 1.00 0.00 O ATOM 290 NE2 GLN A 18 5.880 -1.977 -11.591 1.00 0.00 N ATOM 0 H GLN A 18 5.958 2.499 -13.107 1.00 0.00 H new ATOM 0 HA GLN A 18 3.871 1.311 -14.607 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.936 0.163 -13.829 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.433 0.365 -12.162 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.367 -1.017 -12.720 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.091 -1.347 -14.281 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.939 -1.018 -11.248 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.414 -2.716 -11.134 1.00 0.00 H new ATOM 299 N ILE A 19 3.261 1.820 -11.388 1.00 0.00 N ATOM 300 CA ILE A 19 2.233 1.885 -10.347 1.00 0.00 C ATOM 301 C ILE A 19 1.266 3.036 -10.633 1.00 0.00 C ATOM 302 O ILE A 19 0.176 3.112 -10.064 1.00 0.00 O ATOM 303 CB ILE A 19 2.879 2.066 -8.937 1.00 0.00 C ATOM 304 CG1 ILE A 19 1.963 1.531 -7.823 1.00 0.00 C ATOM 305 CG2 ILE A 19 3.236 3.527 -8.670 1.00 0.00 C ATOM 306 CD1 ILE A 19 2.017 0.026 -7.663 1.00 0.00 C ATOM 0 H ILE A 19 4.202 2.017 -11.048 1.00 0.00 H new ATOM 0 HA ILE A 19 1.681 0.945 -10.353 1.00 0.00 H new ATOM 0 HB ILE A 19 3.799 1.481 -8.932 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.242 1.998 -6.879 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.936 1.829 -8.034 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.683 3.617 -7.680 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.946 3.871 -9.422 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.334 4.137 -8.717 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.346 -0.279 -6.860 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.709 -0.450 -8.594 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.035 -0.278 -7.420 1.00 0.00 H new ATOM 318 N ALA A 20 1.691 3.944 -11.503 1.00 0.00 N ATOM 319 CA ALA A 20 0.831 5.015 -11.971 1.00 0.00 C ATOM 320 C ALA A 20 -0.062 4.515 -13.100 1.00 0.00 C ATOM 321 O ALA A 20 -1.282 4.584 -13.010 1.00 0.00 O ATOM 322 CB ALA A 20 1.664 6.207 -12.435 1.00 0.00 C ATOM 0 H ALA A 20 2.631 3.957 -11.898 1.00 0.00 H new ATOM 0 HA ALA A 20 0.199 5.341 -11.145 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.002 7.000 -12.782 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.267 6.575 -11.605 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.319 5.898 -13.250 1.00 0.00 H new ATOM 328 N LYS A 21 0.557 3.966 -14.143 1.00 0.00 N ATOM 329 CA LYS A 21 -0.162 3.594 -15.358 1.00 0.00 C ATOM 330 C LYS A 21 -1.245 2.547 -15.095 1.00 0.00 C ATOM 331 O LYS A 21 -2.392 2.744 -15.496 1.00 0.00 O ATOM 332 CB LYS A 21 0.813 3.105 -16.440 1.00 0.00 C ATOM 333 CG LYS A 21 1.841 4.150 -16.903 1.00 0.00 C ATOM 334 CD LYS A 21 1.230 5.297 -17.728 1.00 0.00 C ATOM 335 CE LYS A 21 0.483 6.323 -16.873 1.00 0.00 C ATOM 336 NZ LYS A 21 0.049 7.501 -17.669 1.00 0.00 N ATOM 0 H LYS A 21 1.557 3.769 -14.170 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.665 4.492 -15.718 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.347 2.234 -16.061 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.238 2.774 -17.305 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.339 4.569 -16.029 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.607 3.654 -17.499 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.023 5.802 -18.280 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.544 4.880 -18.466 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.389 5.851 -16.419 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.127 6.653 -16.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.453 8.171 -17.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.882 7.967 -18.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.586 7.190 -18.431 1.00 0.00 H new ATOM 350 N PHE A 22 -0.900 1.446 -14.417 1.00 0.00 N ATOM 351 CA PHE A 22 -1.885 0.384 -14.157 1.00 0.00 C ATOM 352 C PHE A 22 -3.126 0.960 -13.474 1.00 0.00 C ATOM 353 O PHE A 22 -4.259 0.641 -13.841 1.00 0.00 O ATOM 354 CB PHE A 22 -1.285 -0.751 -13.296 1.00 0.00 C ATOM 355 CG PHE A 22 -2.319 -1.728 -12.755 1.00 0.00 C ATOM 356 CD1 PHE A 22 -2.937 -1.491 -11.534 1.00 0.00 C ATOM 357 CD2 PHE A 22 -2.685 -2.868 -13.463 1.00 0.00 C ATOM 358 CE1 PHE A 22 -3.884 -2.354 -11.029 1.00 0.00 C ATOM 359 CE2 PHE A 22 -3.640 -3.735 -12.962 1.00 0.00 C ATOM 360 CZ PHE A 22 -4.239 -3.478 -11.744 1.00 0.00 C ATOM 0 H PHE A 22 0.032 1.267 -14.045 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.171 -0.040 -15.120 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.558 -1.301 -13.893 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.743 -0.311 -12.459 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.669 -0.611 -10.968 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.219 -3.079 -14.414 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.348 -2.151 -10.075 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.918 -4.614 -13.524 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.983 -4.156 -11.353 1.00 0.00 H new ATOM 370 N TRP A 23 -2.897 1.826 -12.496 1.00 0.00 N ATOM 371 CA TRP A 23 -3.973 2.373 -11.682 1.00 0.00 C ATOM 372 C TRP A 23 -4.743 3.466 -12.428 1.00 0.00 C ATOM 373 O TRP A 23 -5.974 3.500 -12.397 1.00 0.00 O ATOM 374 CB TRP A 23 -3.401 2.911 -10.364 1.00 0.00 C ATOM 375 CG TRP A 23 -4.435 3.445 -9.416 1.00 0.00 C ATOM 376 CD1 TRP A 23 -4.330 4.566 -8.653 1.00 0.00 C ATOM 377 CD2 TRP A 23 -5.727 2.886 -9.134 1.00 0.00 C ATOM 378 NE1 TRP A 23 -5.472 4.744 -7.914 1.00 0.00 N ATOM 379 CE2 TRP A 23 -6.345 3.725 -8.190 1.00 0.00 C ATOM 380 CE3 TRP A 23 -6.420 1.760 -9.588 1.00 0.00 C ATOM 381 CZ2 TRP A 23 -7.622 3.474 -7.692 1.00 0.00 C ATOM 382 CZ3 TRP A 23 -7.686 1.513 -9.098 1.00 0.00 C ATOM 383 CH2 TRP A 23 -8.276 2.365 -8.157 1.00 0.00 C ATOM 0 H TRP A 23 -1.969 2.166 -12.246 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.680 1.573 -11.464 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.848 2.113 -9.869 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.686 3.703 -10.588 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -3.472 5.221 -8.632 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -5.643 5.511 -7.264 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -5.972 1.094 -10.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.079 4.130 -6.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.231 0.648 -9.446 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.267 2.143 -7.790 1.00 0.00 H new ATOM 394 N GLU A 24 -4.023 4.346 -13.116 1.00 0.00 N ATOM 395 CA GLU A 24 -4.657 5.458 -13.819 1.00 0.00 C ATOM 396 C GLU A 24 -5.502 4.954 -14.989 1.00 0.00 C ATOM 397 O GLU A 24 -6.566 5.504 -15.282 1.00 0.00 O ATOM 398 CB GLU A 24 -3.613 6.477 -14.303 1.00 0.00 C ATOM 399 CG GLU A 24 -2.855 7.159 -13.167 1.00 0.00 C ATOM 400 CD GLU A 24 -1.976 8.306 -13.642 1.00 0.00 C ATOM 401 OE1 GLU A 24 -0.892 8.046 -14.209 1.00 0.00 O ATOM 402 OE2 GLU A 24 -2.368 9.478 -13.445 1.00 0.00 O ATOM 0 H GLU A 24 -3.007 4.313 -13.202 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.317 5.962 -13.114 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.899 5.972 -14.954 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.111 7.237 -14.905 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -3.570 7.536 -12.435 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.236 6.421 -12.657 1.00 0.00 H new ATOM 409 N ILE A 25 -5.039 3.894 -15.644 1.00 0.00 N ATOM 410 CA ILE A 25 -5.758 3.327 -16.783 1.00 0.00 C ATOM 411 C ILE A 25 -6.885 2.405 -16.303 1.00 0.00 C ATOM 412 O ILE A 25 -7.769 2.023 -17.072 1.00 0.00 O ATOM 413 CB ILE A 25 -4.796 2.569 -17.742 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.625 3.485 -18.157 1.00 0.00 C ATOM 415 CG2 ILE A 25 -5.534 2.055 -18.980 1.00 0.00 C ATOM 416 CD1 ILE A 25 -4.052 4.816 -18.748 1.00 0.00 C ATOM 0 H ILE A 25 -4.172 3.411 -15.408 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.200 4.151 -17.343 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.400 1.706 -17.207 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.999 3.672 -17.285 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.008 2.959 -18.885 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.833 1.530 -19.629 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.326 1.372 -18.674 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.969 2.896 -19.520 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.168 5.397 -19.012 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.652 4.642 -19.641 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.643 5.366 -18.016 1.00 0.00 H new ATOM 428 N GLN A 26 -6.865 2.078 -15.011 1.00 0.00 N ATOM 429 CA GLN A 26 -7.940 1.305 -14.390 1.00 0.00 C ATOM 430 C GLN A 26 -9.209 2.165 -14.276 1.00 0.00 C ATOM 431 O GLN A 26 -10.281 1.677 -13.906 1.00 0.00 O ATOM 432 CB GLN A 26 -7.496 0.801 -13.006 1.00 0.00 C ATOM 433 CG GLN A 26 -8.498 -0.124 -12.307 1.00 0.00 C ATOM 434 CD GLN A 26 -8.514 -1.560 -12.835 1.00 0.00 C ATOM 435 OE1 GLN A 26 -8.816 -2.493 -12.088 1.00 0.00 O ATOM 436 NE2 GLN A 26 -8.204 -1.762 -14.108 1.00 0.00 N ATOM 0 H GLN A 26 -6.113 2.338 -14.372 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.165 0.440 -15.014 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.549 0.272 -13.114 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.309 1.662 -12.364 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.271 -0.145 -11.241 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.497 0.299 -12.412 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.958 -0.972 -14.704 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.212 -2.707 -14.491 1.00 0.00 H new ATOM 445 N GLY A 27 -9.070 3.450 -14.608 1.00 0.00 N ATOM 446 CA GLY A 27 -10.191 4.375 -14.557 1.00 0.00 C ATOM 447 C GLY A 27 -10.149 5.240 -13.316 1.00 0.00 C ATOM 448 O GLY A 27 -11.188 5.642 -12.789 1.00 0.00 O ATOM 0 H GLY A 27 -8.191 3.868 -14.914 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.179 5.010 -15.443 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.126 3.815 -14.578 1.00 0.00 H new ATOM 452 N SER A 28 -8.941 5.532 -12.852 1.00 0.00 N ATOM 453 CA SER A 28 -8.739 6.298 -11.627 1.00 0.00 C ATOM 454 C SER A 28 -7.458 7.125 -11.733 1.00 0.00 C ATOM 455 O SER A 28 -6.880 7.239 -12.815 1.00 0.00 O ATOM 456 CB SER A 28 -8.676 5.344 -10.427 1.00 0.00 C ATOM 457 OG SER A 28 -9.862 4.572 -10.328 1.00 0.00 O ATOM 0 H SER A 28 -8.076 5.246 -13.311 1.00 0.00 H new ATOM 0 HA SER A 28 -9.575 6.982 -11.484 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.815 4.683 -10.528 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.533 5.916 -9.510 1.00 0.00 H new ATOM 0 HG SER A 28 -9.708 3.811 -9.730 1.00 0.00 H new ATOM 463 N SER A 29 -7.039 7.730 -10.628 1.00 0.00 N ATOM 464 CA SER A 29 -5.788 8.477 -10.587 1.00 0.00 C ATOM 465 C SER A 29 -4.958 8.037 -9.381 1.00 0.00 C ATOM 466 O SER A 29 -5.509 7.717 -8.321 1.00 0.00 O ATOM 467 CB SER A 29 -6.072 9.983 -10.532 1.00 0.00 C ATOM 468 OG SER A 29 -6.907 10.307 -9.432 1.00 0.00 O ATOM 0 H SER A 29 -7.550 7.718 -9.745 1.00 0.00 H new ATOM 0 HA SER A 29 -5.219 8.270 -11.493 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.133 10.530 -10.453 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.548 10.300 -11.460 1.00 0.00 H new ATOM 0 HG SER A 29 -7.686 10.809 -9.750 1.00 0.00 H new ATOM 474 N LEU A 30 -3.639 8.001 -9.546 1.00 0.00 N ATOM 475 CA LEU A 30 -2.749 7.573 -8.473 1.00 0.00 C ATOM 476 C LEU A 30 -2.623 8.665 -7.417 1.00 0.00 C ATOM 477 O LEU A 30 -1.774 9.554 -7.522 1.00 0.00 O ATOM 478 CB LEU A 30 -1.366 7.196 -9.026 1.00 0.00 C ATOM 479 CG LEU A 30 -0.365 6.669 -7.980 1.00 0.00 C ATOM 480 CD1 LEU A 30 -0.878 5.385 -7.329 1.00 0.00 C ATOM 481 CD2 LEU A 30 1.003 6.443 -8.613 1.00 0.00 C ATOM 0 H LEU A 30 -3.164 8.262 -10.410 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.180 6.687 -8.006 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.495 6.437 -9.797 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.934 8.072 -9.510 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.262 7.423 -7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.153 5.034 -6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.829 5.583 -6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.019 4.621 -8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.696 6.071 -7.858 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.916 5.712 -9.417 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.377 7.384 -9.017 1.00 0.00 H new ATOM 493 N LYS A 31 -3.498 8.615 -6.421 1.00 0.00 N ATOM 494 CA LYS A 31 -3.481 9.578 -5.328 1.00 0.00 C ATOM 495 C LYS A 31 -2.910 8.946 -4.063 1.00 0.00 C ATOM 496 O LYS A 31 -3.621 8.279 -3.308 1.00 0.00 O ATOM 497 CB LYS A 31 -4.893 10.125 -5.069 1.00 0.00 C ATOM 498 CG LYS A 31 -5.446 10.955 -6.225 1.00 0.00 C ATOM 499 CD LYS A 31 -6.834 11.514 -5.918 1.00 0.00 C ATOM 500 CE LYS A 31 -7.316 12.452 -7.019 1.00 0.00 C ATOM 501 NZ LYS A 31 -6.420 13.631 -7.174 1.00 0.00 N ATOM 0 H LYS A 31 -4.234 7.912 -6.348 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.838 10.410 -5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.567 9.291 -4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.877 10.737 -4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.764 11.778 -6.439 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.494 10.339 -7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.541 10.692 -5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.810 12.048 -4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.368 11.909 -7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.326 12.791 -6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.913 14.374 -7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.160 13.995 -6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.560 13.349 -7.687 1.00 0.00 H new ATOM 515 N ILE A 32 -1.612 9.133 -3.862 1.00 0.00 N ATOM 516 CA ILE A 32 -0.942 8.713 -2.636 1.00 0.00 C ATOM 517 C ILE A 32 -0.492 9.951 -1.854 1.00 0.00 C ATOM 518 O ILE A 32 0.615 10.451 -2.043 1.00 0.00 O ATOM 519 CB ILE A 32 0.263 7.771 -2.927 1.00 0.00 C ATOM 520 CG1 ILE A 32 1.171 8.358 -4.027 1.00 0.00 C ATOM 521 CG2 ILE A 32 -0.233 6.377 -3.321 1.00 0.00 C ATOM 522 CD1 ILE A 32 2.372 7.494 -4.359 1.00 0.00 C ATOM 0 H ILE A 32 -0.995 9.578 -4.541 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.650 8.142 -2.035 1.00 0.00 H new ATOM 0 HB ILE A 32 0.855 7.684 -2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.581 8.505 -4.931 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.519 9.341 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.621 5.730 -3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.823 5.957 -2.506 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.851 6.450 -4.216 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.961 7.974 -5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.987 7.367 -3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.033 6.518 -4.708 1.00 0.00 H new ATOM 534 N PRO A 33 -1.382 10.491 -0.996 1.00 0.00 N ATOM 535 CA PRO A 33 -1.136 11.751 -0.276 1.00 0.00 C ATOM 536 C PRO A 33 0.003 11.658 0.744 1.00 0.00 C ATOM 537 O PRO A 33 0.730 10.656 0.817 1.00 0.00 O ATOM 538 CB PRO A 33 -2.478 12.038 0.430 1.00 0.00 C ATOM 539 CG PRO A 33 -3.472 11.153 -0.246 1.00 0.00 C ATOM 540 CD PRO A 33 -2.703 9.934 -0.666 1.00 0.00 C ATOM 0 HA PRO A 33 -0.820 12.539 -0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.417 11.819 1.496 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.756 13.088 0.335 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.286 10.890 0.429 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.919 11.651 -1.106 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.644 9.196 0.134 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.161 9.440 -1.523 1.00 0.00 H new ATOM 548 N ASN A 34 0.131 12.713 1.546 1.00 0.00 N ATOM 549 CA ASN A 34 1.221 12.845 2.499 1.00 0.00 C ATOM 550 C ASN A 34 0.692 12.901 3.916 1.00 0.00 C ATOM 551 O ASN A 34 -0.463 13.265 4.153 1.00 0.00 O ATOM 552 CB ASN A 34 2.035 14.124 2.215 1.00 0.00 C ATOM 553 CG ASN A 34 2.534 14.228 0.780 1.00 0.00 C ATOM 554 OD1 ASN A 34 1.802 14.656 -0.113 1.00 0.00 O ATOM 555 ND2 ASN A 34 3.792 13.881 0.556 1.00 0.00 N ATOM 0 H ASN A 34 -0.520 13.498 1.550 1.00 0.00 H new ATOM 0 HA ASN A 34 1.864 11.972 2.390 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.418 14.994 2.439 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.890 14.157 2.891 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.185 13.964 -0.382 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.368 13.530 1.321 1.00 0.00 H new ATOM 562 N VAL A 35 1.547 12.513 4.843 1.00 0.00 N ATOM 563 CA VAL A 35 1.286 12.661 6.260 1.00 0.00 C ATOM 564 C VAL A 35 2.608 12.892 6.987 1.00 0.00 C ATOM 565 O VAL A 35 3.607 12.239 6.676 1.00 0.00 O ATOM 566 CB VAL A 35 0.567 11.421 6.858 1.00 0.00 C ATOM 567 CG1 VAL A 35 1.456 10.179 6.788 1.00 0.00 C ATOM 568 CG2 VAL A 35 0.108 11.694 8.292 1.00 0.00 C ATOM 0 H VAL A 35 2.448 12.084 4.631 1.00 0.00 H new ATOM 0 HA VAL A 35 0.621 13.515 6.393 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.320 11.225 6.255 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.926 9.327 7.214 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.705 9.968 5.748 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.372 10.355 7.352 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.393 10.811 8.688 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.973 11.930 8.912 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.584 12.536 8.298 1.00 0.00 H new ATOM 578 N GLU A 36 2.629 13.844 7.920 1.00 0.00 N ATOM 579 CA GLU A 36 3.834 14.132 8.701 1.00 0.00 C ATOM 580 C GLU A 36 4.984 14.595 7.805 1.00 0.00 C ATOM 581 O GLU A 36 6.152 14.515 8.189 1.00 0.00 O ATOM 582 CB GLU A 36 4.250 12.909 9.526 1.00 0.00 C ATOM 583 CG GLU A 36 3.200 12.475 10.543 1.00 0.00 C ATOM 584 CD GLU A 36 2.690 13.637 11.384 1.00 0.00 C ATOM 585 OE1 GLU A 36 3.474 14.181 12.191 1.00 0.00 O ATOM 586 OE2 GLU A 36 1.513 14.029 11.221 1.00 0.00 O ATOM 0 H GLU A 36 1.827 14.429 8.154 1.00 0.00 H new ATOM 0 HA GLU A 36 3.598 14.947 9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.456 12.078 8.851 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.180 13.133 10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.362 12.013 10.021 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.626 11.715 11.198 1.00 0.00 H new ATOM 593 N ARG A 37 4.623 15.095 6.622 1.00 0.00 N ATOM 594 CA ARG A 37 5.578 15.579 5.612 1.00 0.00 C ATOM 595 C ARG A 37 6.251 14.410 4.894 1.00 0.00 C ATOM 596 O ARG A 37 7.256 14.585 4.205 1.00 0.00 O ATOM 597 CB ARG A 37 6.643 16.530 6.210 1.00 0.00 C ATOM 598 CG ARG A 37 6.105 17.885 6.685 1.00 0.00 C ATOM 599 CD ARG A 37 5.290 17.768 7.967 1.00 0.00 C ATOM 600 NE ARG A 37 4.822 19.065 8.448 1.00 0.00 N ATOM 601 CZ ARG A 37 4.557 19.339 9.727 1.00 0.00 C ATOM 602 NH1 ARG A 37 4.725 18.412 10.666 1.00 0.00 N ATOM 603 NH2 ARG A 37 4.130 20.546 10.069 1.00 0.00 N ATOM 0 H ARG A 37 3.649 15.178 6.331 1.00 0.00 H new ATOM 0 HA ARG A 37 5.002 16.155 4.888 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.123 16.031 7.052 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.415 16.705 5.461 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.939 18.567 6.849 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.485 18.322 5.902 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.433 17.118 7.792 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.897 17.295 8.739 1.00 0.00 H new ATOM 0 HE ARG A 37 4.689 19.809 7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.059 17.483 10.411 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.520 18.631 11.641 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.004 21.264 9.355 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.927 20.757 11.046 1.00 0.00 H new ATOM 617 N ARG A 38 5.677 13.221 5.049 1.00 0.00 N ATOM 618 CA ARG A 38 6.158 12.026 4.365 1.00 0.00 C ATOM 619 C ARG A 38 5.078 11.511 3.414 1.00 0.00 C ATOM 620 O ARG A 38 3.949 11.248 3.836 1.00 0.00 O ATOM 621 CB ARG A 38 6.517 10.934 5.388 1.00 0.00 C ATOM 622 CG ARG A 38 7.173 9.689 4.781 1.00 0.00 C ATOM 623 CD ARG A 38 8.684 9.850 4.600 1.00 0.00 C ATOM 624 NE ARG A 38 9.039 10.975 3.728 1.00 0.00 N ATOM 625 CZ ARG A 38 10.271 11.475 3.612 1.00 0.00 C ATOM 626 NH1 ARG A 38 11.284 10.935 4.279 1.00 0.00 N ATOM 627 NH2 ARG A 38 10.484 12.515 2.820 1.00 0.00 N ATOM 0 H ARG A 38 4.869 13.059 5.650 1.00 0.00 H new ATOM 0 HA ARG A 38 7.052 12.279 3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.191 11.358 6.133 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.610 10.633 5.913 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.977 8.830 5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.716 9.476 3.815 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.148 9.993 5.576 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.095 8.930 4.183 1.00 0.00 H new ATOM 0 HE ARG A 38 8.296 11.403 3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.124 10.131 4.886 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.222 11.324 4.184 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.709 12.929 2.303 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.423 12.902 2.727 1.00 0.00 H new ATOM 641 N ILE A 39 5.413 11.399 2.132 1.00 0.00 N ATOM 642 CA ILE A 39 4.490 10.851 1.140 1.00 0.00 C ATOM 643 C ILE A 39 4.298 9.351 1.367 1.00 0.00 C ATOM 644 O ILE A 39 5.196 8.675 1.882 1.00 0.00 O ATOM 645 CB ILE A 39 4.995 11.105 -0.308 1.00 0.00 C ATOM 646 CG1 ILE A 39 3.944 10.655 -1.342 1.00 0.00 C ATOM 647 CG2 ILE A 39 6.332 10.400 -0.552 1.00 0.00 C ATOM 648 CD1 ILE A 39 4.320 10.959 -2.779 1.00 0.00 C ATOM 0 H ILE A 39 6.318 11.680 1.754 1.00 0.00 H new ATOM 0 HA ILE A 39 3.534 11.360 1.260 1.00 0.00 H new ATOM 0 HB ILE A 39 5.151 12.177 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.785 9.582 -1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.995 11.141 -1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.664 10.593 -1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.076 10.778 0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.209 9.327 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.529 10.611 -3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.450 12.034 -2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.252 10.450 -3.027 1.00 0.00 H new ATOM 660 N LEU A 40 3.123 8.837 1.010 1.00 0.00 N ATOM 661 CA LEU A 40 2.853 7.409 1.144 1.00 0.00 C ATOM 662 C LEU A 40 3.700 6.610 0.147 1.00 0.00 C ATOM 663 O LEU A 40 3.302 6.399 -1.001 1.00 0.00 O ATOM 664 CB LEU A 40 1.359 7.117 0.939 1.00 0.00 C ATOM 665 CG LEU A 40 0.940 5.652 1.155 1.00 0.00 C ATOM 666 CD1 LEU A 40 1.192 5.219 2.599 1.00 0.00 C ATOM 667 CD2 LEU A 40 -0.525 5.448 0.774 1.00 0.00 C ATOM 0 H LEU A 40 2.350 9.383 0.629 1.00 0.00 H new ATOM 0 HA LEU A 40 3.124 7.101 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.786 7.746 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.084 7.411 -0.074 1.00 0.00 H new ATOM 0 HG LEU A 40 1.551 5.026 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.888 4.180 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.253 5.317 2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.615 5.851 3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.801 4.406 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.154 6.089 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.667 5.704 -0.276 1.00 0.00 H new ATOM 679 N ASP A 41 4.888 6.202 0.590 1.00 0.00 N ATOM 680 CA ASP A 41 5.799 5.412 -0.239 1.00 0.00 C ATOM 681 C ASP A 41 5.276 3.980 -0.370 1.00 0.00 C ATOM 682 O ASP A 41 5.443 3.151 0.532 1.00 0.00 O ATOM 683 CB ASP A 41 7.217 5.428 0.357 1.00 0.00 C ATOM 684 CG ASP A 41 8.243 4.718 -0.520 1.00 0.00 C ATOM 685 OD1 ASP A 41 8.828 5.375 -1.418 1.00 0.00 O ATOM 686 OD2 ASP A 41 8.468 3.504 -0.316 1.00 0.00 O ATOM 0 H ASP A 41 5.244 6.407 1.524 1.00 0.00 H new ATOM 0 HA ASP A 41 5.848 5.854 -1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.530 6.461 0.508 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.197 4.955 1.339 1.00 0.00 H new ATOM 691 N LEU A 42 4.616 3.711 -1.495 1.00 0.00 N ATOM 692 CA LEU A 42 3.958 2.426 -1.738 1.00 0.00 C ATOM 693 C LEU A 42 4.986 1.290 -1.784 1.00 0.00 C ATOM 694 O LEU A 42 4.670 0.140 -1.479 1.00 0.00 O ATOM 695 CB LEU A 42 3.158 2.502 -3.057 1.00 0.00 C ATOM 696 CG LEU A 42 1.863 1.660 -3.120 1.00 0.00 C ATOM 697 CD1 LEU A 42 1.022 2.060 -4.330 1.00 0.00 C ATOM 698 CD2 LEU A 42 2.168 0.163 -3.162 1.00 0.00 C ATOM 0 H LEU A 42 4.522 4.375 -2.263 1.00 0.00 H new ATOM 0 HA LEU A 42 3.271 2.214 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.898 3.545 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.810 2.188 -3.872 1.00 0.00 H new ATOM 0 HG LEU A 42 1.296 1.862 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.115 1.457 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.755 3.114 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.595 1.895 -5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.234 -0.397 -3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.768 -0.062 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.720 -0.121 -2.266 1.00 0.00 H new ATOM 710 N TYR A 43 6.216 1.629 -2.150 1.00 0.00 N ATOM 711 CA TYR A 43 7.302 0.652 -2.253 1.00 0.00 C ATOM 712 C TYR A 43 7.475 -0.090 -0.929 1.00 0.00 C ATOM 713 O TYR A 43 7.287 -1.311 -0.845 1.00 0.00 O ATOM 714 CB TYR A 43 8.627 1.343 -2.610 1.00 0.00 C ATOM 715 CG TYR A 43 8.570 2.254 -3.821 1.00 0.00 C ATOM 716 CD1 TYR A 43 7.792 3.409 -3.817 1.00 0.00 C ATOM 717 CD2 TYR A 43 9.313 1.973 -4.959 1.00 0.00 C ATOM 718 CE1 TYR A 43 7.750 4.246 -4.908 1.00 0.00 C ATOM 719 CE2 TYR A 43 9.280 2.813 -6.052 1.00 0.00 C ATOM 720 CZ TYR A 43 8.495 3.946 -6.022 1.00 0.00 C ATOM 721 OH TYR A 43 8.458 4.778 -7.113 1.00 0.00 O ATOM 0 H TYR A 43 6.492 2.583 -2.383 1.00 0.00 H new ATOM 0 HA TYR A 43 7.040 -0.054 -3.041 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.958 1.926 -1.751 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.383 0.577 -2.786 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.210 3.652 -2.940 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.926 1.084 -4.989 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.135 5.134 -4.889 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.867 2.584 -6.929 1.00 0.00 H new ATOM 0 HH TYR A 43 8.895 4.341 -7.873 1.00 0.00 H new ATOM 731 N SER A 44 7.822 0.669 0.105 1.00 0.00 N ATOM 732 CA SER A 44 8.059 0.116 1.428 1.00 0.00 C ATOM 733 C SER A 44 6.801 -0.560 1.958 1.00 0.00 C ATOM 734 O SER A 44 6.864 -1.649 2.525 1.00 0.00 O ATOM 735 CB SER A 44 8.525 1.222 2.380 1.00 0.00 C ATOM 736 OG SER A 44 9.665 1.886 1.856 1.00 0.00 O ATOM 0 H SER A 44 7.946 1.680 0.047 1.00 0.00 H new ATOM 0 HA SER A 44 8.843 -0.638 1.360 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.719 1.939 2.535 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.762 0.794 3.354 1.00 0.00 H new ATOM 0 HG SER A 44 9.388 2.500 1.144 1.00 0.00 H new ATOM 742 N LEU A 45 5.660 0.078 1.734 1.00 0.00 N ATOM 743 CA LEU A 45 4.377 -0.460 2.166 1.00 0.00 C ATOM 744 C LEU A 45 4.164 -1.856 1.591 1.00 0.00 C ATOM 745 O LEU A 45 3.906 -2.809 2.327 1.00 0.00 O ATOM 746 CB LEU A 45 3.234 0.469 1.728 1.00 0.00 C ATOM 747 CG LEU A 45 1.813 -0.044 2.027 1.00 0.00 C ATOM 748 CD1 LEU A 45 1.611 -0.248 3.528 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.765 0.913 1.460 1.00 0.00 C ATOM 0 H LEU A 45 5.597 0.975 1.252 1.00 0.00 H new ATOM 0 HA LEU A 45 4.380 -0.526 3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.364 1.433 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.321 0.643 0.655 1.00 0.00 H new ATOM 0 HG LEU A 45 1.690 -1.011 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.600 -0.611 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.331 -0.978 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.757 0.699 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.232 0.533 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.888 1.897 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.891 0.993 0.380 1.00 0.00 H new ATOM 761 N SER A 46 4.299 -1.971 0.275 1.00 0.00 N ATOM 762 CA SER A 46 4.061 -3.230 -0.414 1.00 0.00 C ATOM 763 C SER A 46 5.013 -4.317 0.084 1.00 0.00 C ATOM 764 O SER A 46 4.574 -5.409 0.446 1.00 0.00 O ATOM 765 CB SER A 46 4.180 -3.048 -1.936 1.00 0.00 C ATOM 766 OG SER A 46 5.421 -2.462 -2.298 1.00 0.00 O ATOM 0 H SER A 46 4.573 -1.203 -0.337 1.00 0.00 H new ATOM 0 HA SER A 46 3.044 -3.551 -0.190 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.077 -4.015 -2.428 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.363 -2.421 -2.293 1.00 0.00 H new ATOM 0 HG SER A 46 5.869 -2.123 -1.495 1.00 0.00 H new ATOM 772 N LYS A 47 6.314 -4.015 0.143 1.00 0.00 N ATOM 773 CA LYS A 47 7.296 -5.029 0.534 1.00 0.00 C ATOM 774 C LYS A 47 7.104 -5.449 1.992 1.00 0.00 C ATOM 775 O LYS A 47 7.346 -6.606 2.345 1.00 0.00 O ATOM 776 CB LYS A 47 8.739 -4.553 0.299 1.00 0.00 C ATOM 777 CG LYS A 47 9.119 -3.280 1.047 1.00 0.00 C ATOM 778 CD LYS A 47 10.615 -2.960 0.948 1.00 0.00 C ATOM 779 CE LYS A 47 11.112 -2.853 -0.497 1.00 0.00 C ATOM 780 NZ LYS A 47 11.322 -4.188 -1.126 1.00 0.00 N ATOM 0 H LYS A 47 6.705 -3.097 -0.070 1.00 0.00 H new ATOM 0 HA LYS A 47 7.126 -5.897 -0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.422 -5.349 0.594 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.883 -4.388 -0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.546 -2.444 0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.842 -3.384 2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.815 -2.021 1.465 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.181 -3.735 1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.390 -2.287 -1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.048 -2.294 -0.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.259 -4.216 -1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.266 -4.928 -0.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.588 -4.353 -1.844 1.00 0.00 H new ATOM 794 N ILE A 48 6.660 -4.518 2.834 1.00 0.00 N ATOM 795 CA ILE A 48 6.424 -4.822 4.245 1.00 0.00 C ATOM 796 C ILE A 48 5.206 -5.732 4.401 1.00 0.00 C ATOM 797 O ILE A 48 5.292 -6.788 5.026 1.00 0.00 O ATOM 798 CB ILE A 48 6.244 -3.531 5.089 1.00 0.00 C ATOM 799 CG1 ILE A 48 7.578 -2.766 5.164 1.00 0.00 C ATOM 800 CG2 ILE A 48 5.722 -3.857 6.492 1.00 0.00 C ATOM 801 CD1 ILE A 48 7.503 -1.468 5.936 1.00 0.00 C ATOM 0 H ILE A 48 6.458 -3.554 2.568 1.00 0.00 H new ATOM 0 HA ILE A 48 7.305 -5.343 4.619 1.00 0.00 H new ATOM 0 HB ILE A 48 5.502 -2.898 4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.327 -3.408 5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.921 -2.555 4.151 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.606 -2.934 7.060 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.758 -4.359 6.414 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.431 -4.510 7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.483 -0.991 5.942 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.779 -0.804 5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.192 -1.672 6.961 1.00 0.00 H new ATOM 813 N VAL A 49 4.086 -5.330 3.803 1.00 0.00 N ATOM 814 CA VAL A 49 2.846 -6.108 3.868 1.00 0.00 C ATOM 815 C VAL A 49 3.063 -7.523 3.320 1.00 0.00 C ATOM 816 O VAL A 49 2.592 -8.506 3.901 1.00 0.00 O ATOM 817 CB VAL A 49 1.703 -5.414 3.079 1.00 0.00 C ATOM 818 CG1 VAL A 49 0.441 -6.275 3.067 1.00 0.00 C ATOM 819 CG2 VAL A 49 1.408 -4.033 3.665 1.00 0.00 C ATOM 0 H VAL A 49 4.010 -4.467 3.265 1.00 0.00 H new ATOM 0 HA VAL A 49 2.556 -6.171 4.917 1.00 0.00 H new ATOM 0 HB VAL A 49 2.033 -5.289 2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.343 -5.764 2.508 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.659 -7.233 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.105 -6.443 4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.604 -3.562 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.106 -4.137 4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.304 -3.414 3.607 1.00 0.00 H new ATOM 829 N VAL A 50 3.785 -7.620 2.205 1.00 0.00 N ATOM 830 CA VAL A 50 4.102 -8.913 1.606 1.00 0.00 C ATOM 831 C VAL A 50 5.005 -9.726 2.535 1.00 0.00 C ATOM 832 O VAL A 50 4.794 -10.925 2.727 1.00 0.00 O ATOM 833 CB VAL A 50 4.780 -8.753 0.218 1.00 0.00 C ATOM 834 CG1 VAL A 50 5.243 -10.103 -0.330 1.00 0.00 C ATOM 835 CG2 VAL A 50 3.828 -8.074 -0.768 1.00 0.00 C ATOM 0 H VAL A 50 4.161 -6.818 1.699 1.00 0.00 H new ATOM 0 HA VAL A 50 3.161 -9.444 1.462 1.00 0.00 H new ATOM 0 HB VAL A 50 5.660 -8.122 0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.714 -9.959 -1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.961 -10.548 0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.384 -10.766 -0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.319 -7.970 -1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.929 -8.680 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.556 -7.088 -0.391 1.00 0.00 H new ATOM 845 N GLU A 51 5.996 -9.063 3.130 1.00 0.00 N ATOM 846 CA GLU A 51 6.918 -9.726 4.052 1.00 0.00 C ATOM 847 C GLU A 51 6.168 -10.231 5.288 1.00 0.00 C ATOM 848 O GLU A 51 6.535 -11.251 5.878 1.00 0.00 O ATOM 849 CB GLU A 51 8.047 -8.770 4.463 1.00 0.00 C ATOM 850 CG GLU A 51 9.148 -9.434 5.283 1.00 0.00 C ATOM 851 CD GLU A 51 10.275 -8.478 5.640 1.00 0.00 C ATOM 852 OE1 GLU A 51 11.085 -8.147 4.745 1.00 0.00 O ATOM 853 OE2 GLU A 51 10.359 -8.060 6.814 1.00 0.00 O ATOM 0 H GLU A 51 6.181 -8.070 2.991 1.00 0.00 H new ATOM 0 HA GLU A 51 7.359 -10.582 3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.487 -8.335 3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.623 -7.948 5.040 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.718 -9.840 6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.555 -10.275 4.722 1.00 0.00 H new ATOM 860 N GLU A 52 5.118 -9.508 5.673 1.00 0.00 N ATOM 861 CA GLU A 52 4.254 -9.917 6.780 1.00 0.00 C ATOM 862 C GLU A 52 3.553 -11.239 6.452 1.00 0.00 C ATOM 863 O GLU A 52 3.282 -12.055 7.341 1.00 0.00 O ATOM 864 CB GLU A 52 3.225 -8.818 7.079 1.00 0.00 C ATOM 865 CG GLU A 52 3.818 -7.575 7.738 1.00 0.00 C ATOM 866 CD GLU A 52 4.423 -7.862 9.105 1.00 0.00 C ATOM 867 OE1 GLU A 52 3.718 -8.434 9.962 1.00 0.00 O ATOM 868 OE2 GLU A 52 5.598 -7.497 9.340 1.00 0.00 O ATOM 0 H GLU A 52 4.843 -8.630 5.232 1.00 0.00 H new ATOM 0 HA GLU A 52 4.868 -10.069 7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.739 -8.526 6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.451 -9.227 7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.585 -7.156 7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.040 -6.819 7.842 1.00 0.00 H new ATOM 875 N GLY A 53 3.267 -11.445 5.168 1.00 0.00 N ATOM 876 CA GLY A 53 2.729 -12.716 4.710 1.00 0.00 C ATOM 877 C GLY A 53 1.229 -12.698 4.481 1.00 0.00 C ATOM 878 O GLY A 53 0.655 -13.708 4.064 1.00 0.00 O ATOM 0 H GLY A 53 3.399 -10.750 4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.226 -12.997 3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.966 -13.486 5.444 1.00 0.00 H new ATOM 882 N GLY A 54 0.581 -11.570 4.757 1.00 0.00 N ATOM 883 CA GLY A 54 -0.849 -11.481 4.539 1.00 0.00 C ATOM 884 C GLY A 54 -1.432 -10.145 4.949 1.00 0.00 C ATOM 885 O GLY A 54 -1.539 -9.851 6.140 1.00 0.00 O ATOM 0 H GLY A 54 1.017 -10.724 5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.061 -11.654 3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.345 -12.274 5.098 1.00 0.00 H new ATOM 889 N TYR A 55 -1.802 -9.338 3.956 1.00 0.00 N ATOM 890 CA TYR A 55 -2.510 -8.078 4.185 1.00 0.00 C ATOM 891 C TYR A 55 -3.715 -8.309 5.095 1.00 0.00 C ATOM 892 O TYR A 55 -3.885 -7.639 6.122 1.00 0.00 O ATOM 893 CB TYR A 55 -2.949 -7.502 2.827 1.00 0.00 C ATOM 894 CG TYR A 55 -3.986 -6.395 2.896 1.00 0.00 C ATOM 895 CD1 TYR A 55 -3.696 -5.178 3.493 1.00 0.00 C ATOM 896 CD2 TYR A 55 -5.257 -6.572 2.357 1.00 0.00 C ATOM 897 CE1 TYR A 55 -4.639 -4.170 3.557 1.00 0.00 C ATOM 898 CE2 TYR A 55 -6.203 -5.568 2.415 1.00 0.00 C ATOM 899 CZ TYR A 55 -5.889 -4.370 3.016 1.00 0.00 C ATOM 900 OH TYR A 55 -6.833 -3.370 3.080 1.00 0.00 O ATOM 0 H TYR A 55 -1.620 -9.538 2.972 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.851 -7.365 4.680 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.068 -7.120 2.311 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.348 -8.314 2.219 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.716 -5.015 3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.508 -7.511 1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.396 -3.230 4.029 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.184 -5.722 1.991 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.627 -3.700 3.550 1.00 0.00 H new ATOM 910 N GLU A 56 -4.521 -9.292 4.716 1.00 0.00 N ATOM 911 CA GLU A 56 -5.710 -9.669 5.467 1.00 0.00 C ATOM 912 C GLU A 56 -5.367 -9.946 6.930 1.00 0.00 C ATOM 913 O GLU A 56 -6.083 -9.526 7.844 1.00 0.00 O ATOM 914 CB GLU A 56 -6.330 -10.921 4.844 1.00 0.00 C ATOM 915 CG GLU A 56 -7.693 -11.275 5.411 1.00 0.00 C ATOM 916 CD GLU A 56 -8.771 -10.307 4.966 1.00 0.00 C ATOM 917 OE1 GLU A 56 -9.062 -10.264 3.755 1.00 0.00 O ATOM 918 OE2 GLU A 56 -9.342 -9.612 5.830 1.00 0.00 O ATOM 0 H GLU A 56 -4.368 -9.851 3.877 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.419 -8.842 5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.421 -10.773 3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.654 -11.763 4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.963 -12.284 5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.641 -11.281 6.500 1.00 0.00 H new ATOM 925 N ALA A 57 -4.255 -10.646 7.142 1.00 0.00 N ATOM 926 CA ALA A 57 -3.836 -11.026 8.484 1.00 0.00 C ATOM 927 C ALA A 57 -3.539 -9.787 9.318 1.00 0.00 C ATOM 928 O ALA A 57 -4.033 -9.651 10.435 1.00 0.00 O ATOM 929 CB ALA A 57 -2.621 -11.946 8.424 1.00 0.00 C ATOM 0 H ALA A 57 -3.630 -10.960 6.400 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.650 -11.571 8.962 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.322 -12.220 9.436 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.874 -12.846 7.864 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.798 -11.430 7.929 1.00 0.00 H new ATOM 935 N ILE A 58 -2.760 -8.868 8.752 1.00 0.00 N ATOM 936 CA ILE A 58 -2.409 -7.629 9.444 1.00 0.00 C ATOM 937 C ILE A 58 -3.678 -6.854 9.796 1.00 0.00 C ATOM 938 O ILE A 58 -3.756 -6.200 10.840 1.00 0.00 O ATOM 939 CB ILE A 58 -1.505 -6.717 8.579 1.00 0.00 C ATOM 940 CG1 ILE A 58 -0.377 -7.520 7.915 1.00 0.00 C ATOM 941 CG2 ILE A 58 -0.920 -5.589 9.429 1.00 0.00 C ATOM 942 CD1 ILE A 58 0.428 -6.715 6.915 1.00 0.00 C ATOM 0 H ILE A 58 -2.360 -8.957 7.818 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.862 -7.908 10.345 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.121 -6.285 7.791 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.292 -7.899 8.687 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.806 -8.386 7.411 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.287 -4.956 8.807 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.730 -4.992 9.848 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.326 -6.014 10.238 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.207 -7.344 6.485 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.229 -6.358 6.122 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.886 -5.863 7.418 1.00 0.00 H new ATOM 954 N CYS A 59 -4.669 -6.942 8.910 1.00 0.00 N ATOM 955 CA CYS A 59 -5.938 -6.244 9.086 1.00 0.00 C ATOM 956 C CYS A 59 -6.724 -6.788 10.278 1.00 0.00 C ATOM 957 O CYS A 59 -7.083 -6.034 11.184 1.00 0.00 O ATOM 958 CB CYS A 59 -6.767 -6.339 7.801 1.00 0.00 C ATOM 959 SG CYS A 59 -5.990 -5.530 6.384 1.00 0.00 S ATOM 0 H CYS A 59 -4.614 -7.496 8.055 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.721 -5.197 9.295 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.935 -7.389 7.563 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.745 -5.891 7.975 1.00 0.00 H new ATOM 0 HG CYS A 59 -4.968 -6.231 5.991 1.00 0.00 H new ATOM 965 N LYS A 60 -6.974 -8.094 10.290 1.00 0.00 N ATOM 966 CA LYS A 60 -7.774 -8.710 11.350 1.00 0.00 C ATOM 967 C LYS A 60 -6.956 -8.885 12.629 1.00 0.00 C ATOM 968 O LYS A 60 -7.512 -9.094 13.711 1.00 0.00 O ATOM 969 CB LYS A 60 -8.356 -10.054 10.879 1.00 0.00 C ATOM 970 CG LYS A 60 -9.726 -9.931 10.207 1.00 0.00 C ATOM 971 CD LYS A 60 -9.691 -9.031 8.971 1.00 0.00 C ATOM 972 CE LYS A 60 -11.089 -8.786 8.406 1.00 0.00 C ATOM 973 NZ LYS A 60 -11.048 -8.006 7.140 1.00 0.00 N ATOM 0 H LYS A 60 -6.637 -8.746 9.582 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.604 -8.041 11.578 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.659 -10.517 10.180 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.440 -10.723 11.735 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.078 -10.922 9.921 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.444 -9.532 10.923 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.231 -8.077 9.229 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.065 -9.490 8.205 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.581 -9.742 8.227 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.689 -8.251 9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.995 -7.630 6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.377 -7.218 7.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.743 -8.624 6.361 1.00 0.00 H new ATOM 987 N ASP A 61 -5.636 -8.800 12.504 1.00 0.00 N ATOM 988 CA ASP A 61 -4.753 -8.867 13.669 1.00 0.00 C ATOM 989 C ASP A 61 -4.388 -7.451 14.127 1.00 0.00 C ATOM 990 O ASP A 61 -3.757 -7.265 15.172 1.00 0.00 O ATOM 991 CB ASP A 61 -3.492 -9.689 13.346 1.00 0.00 C ATOM 992 CG ASP A 61 -2.753 -10.169 14.589 1.00 0.00 C ATOM 993 OD1 ASP A 61 -3.417 -10.461 15.609 1.00 0.00 O ATOM 994 OD2 ASP A 61 -1.509 -10.274 14.547 1.00 0.00 O ATOM 0 H ASP A 61 -5.153 -8.685 11.613 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.276 -9.369 14.483 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.774 -10.552 12.743 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.817 -9.084 12.741 1.00 0.00 H new ATOM 999 N ARG A 62 -4.787 -6.456 13.317 1.00 0.00 N ATOM 1000 CA ARG A 62 -4.682 -5.039 13.683 1.00 0.00 C ATOM 1001 C ARG A 62 -3.218 -4.633 13.910 1.00 0.00 C ATOM 1002 O ARG A 62 -2.910 -3.740 14.702 1.00 0.00 O ATOM 1003 CB ARG A 62 -5.553 -4.775 14.926 1.00 0.00 C ATOM 1004 CG ARG A 62 -5.610 -3.319 15.385 1.00 0.00 C ATOM 1005 CD ARG A 62 -6.599 -3.137 16.530 1.00 0.00 C ATOM 1006 NE ARG A 62 -6.441 -4.165 17.560 1.00 0.00 N ATOM 1007 CZ ARG A 62 -7.242 -4.301 18.616 1.00 0.00 C ATOM 1008 NH1 ARG A 62 -8.210 -3.419 18.846 1.00 0.00 N ATOM 1009 NH2 ARG A 62 -7.064 -5.321 19.447 1.00 0.00 N ATOM 0 H ARG A 62 -5.190 -6.614 12.393 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.050 -4.422 12.863 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.568 -5.113 14.717 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.178 -5.384 15.749 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.619 -2.997 15.704 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.898 -2.683 14.548 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.460 -2.152 16.976 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.616 -3.169 16.139 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.666 -4.821 17.463 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.344 -2.631 18.212 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.819 -3.530 19.657 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.318 -5.995 19.275 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.674 -5.431 20.257 1.00 0.00 H new ATOM 1023 N ARG A 63 -2.314 -5.258 13.166 1.00 0.00 N ATOM 1024 CA ARG A 63 -0.881 -5.019 13.344 1.00 0.00 C ATOM 1025 C ARG A 63 -0.404 -3.797 12.565 1.00 0.00 C ATOM 1026 O ARG A 63 0.789 -3.489 12.556 1.00 0.00 O ATOM 1027 CB ARG A 63 -0.073 -6.270 12.962 1.00 0.00 C ATOM 1028 CG ARG A 63 0.466 -7.025 14.174 1.00 0.00 C ATOM 1029 CD ARG A 63 -0.628 -7.324 15.189 1.00 0.00 C ATOM 1030 NE ARG A 63 -0.083 -7.800 16.457 1.00 0.00 N ATOM 1031 CZ ARG A 63 -0.799 -7.936 17.571 1.00 0.00 C ATOM 1032 NH1 ARG A 63 -2.112 -7.728 17.558 1.00 0.00 N ATOM 1033 NH2 ARG A 63 -0.198 -8.301 18.694 1.00 0.00 N ATOM 0 H ARG A 63 -2.543 -5.932 12.436 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.712 -4.808 14.400 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.704 -6.938 12.376 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.760 -5.977 12.324 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.922 -7.959 13.846 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.251 -6.436 14.649 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.217 -6.423 15.363 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.306 -8.074 14.781 1.00 0.00 H new ATOM 0 HE ARG A 63 0.907 -8.043 16.491 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.578 -7.462 16.690 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.654 -7.834 18.416 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.807 -8.476 18.701 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.740 -8.407 19.551 1.00 0.00 H new ATOM 1047 N TRP A 64 -1.338 -3.079 11.948 1.00 0.00 N ATOM 1048 CA TRP A 64 -1.011 -1.851 11.224 1.00 0.00 C ATOM 1049 C TRP A 64 -0.355 -0.829 12.151 1.00 0.00 C ATOM 1050 O TRP A 64 0.277 0.120 11.691 1.00 0.00 O ATOM 1051 CB TRP A 64 -2.265 -1.254 10.572 1.00 0.00 C ATOM 1052 CG TRP A 64 -2.852 -2.132 9.505 1.00 0.00 C ATOM 1053 CD1 TRP A 64 -4.092 -2.707 9.498 1.00 0.00 C ATOM 1054 CD2 TRP A 64 -2.211 -2.547 8.291 1.00 0.00 C ATOM 1055 NE1 TRP A 64 -4.261 -3.444 8.352 1.00 0.00 N ATOM 1056 CE2 TRP A 64 -3.122 -3.362 7.599 1.00 0.00 C ATOM 1057 CE3 TRP A 64 -0.954 -2.306 7.720 1.00 0.00 C ATOM 1058 CZ2 TRP A 64 -2.819 -3.936 6.371 1.00 0.00 C ATOM 1059 CZ3 TRP A 64 -0.657 -2.877 6.500 1.00 0.00 C ATOM 1060 CH2 TRP A 64 -1.586 -3.684 5.836 1.00 0.00 C ATOM 0 H TRP A 64 -2.328 -3.325 11.934 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.300 -2.105 10.437 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -3.017 -1.076 11.341 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.016 -0.285 10.140 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -4.830 -2.598 10.279 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -5.100 -3.968 8.103 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -0.231 -1.684 8.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.534 -4.561 5.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.309 -2.698 6.050 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.325 -4.117 4.882 1.00 0.00 H new ATOM 1071 N ALA A 65 -0.509 -1.036 13.457 1.00 0.00 N ATOM 1072 CA ALA A 65 0.147 -0.201 14.454 1.00 0.00 C ATOM 1073 C ALA A 65 1.668 -0.307 14.325 1.00 0.00 C ATOM 1074 O ALA A 65 2.352 0.684 14.046 1.00 0.00 O ATOM 1075 CB ALA A 65 -0.304 -0.598 15.856 1.00 0.00 C ATOM 0 H ALA A 65 -1.086 -1.780 13.849 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.138 0.837 14.281 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.194 0.034 16.591 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.383 -0.471 15.940 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.046 -1.641 16.040 1.00 0.00 H new ATOM 1081 N ARG A 66 2.193 -1.520 14.516 1.00 0.00 N ATOM 1082 CA ARG A 66 3.634 -1.751 14.426 1.00 0.00 C ATOM 1083 C ARG A 66 4.129 -1.484 13.007 1.00 0.00 C ATOM 1084 O ARG A 66 5.253 -1.028 12.816 1.00 0.00 O ATOM 1085 CB ARG A 66 4.014 -3.177 14.867 1.00 0.00 C ATOM 1086 CG ARG A 66 3.323 -4.285 14.077 1.00 0.00 C ATOM 1087 CD ARG A 66 3.931 -5.656 14.361 1.00 0.00 C ATOM 1088 NE ARG A 66 5.292 -5.771 13.829 1.00 0.00 N ATOM 1089 CZ ARG A 66 5.616 -6.493 12.751 1.00 0.00 C ATOM 1090 NH1 ARG A 66 4.686 -7.191 12.113 1.00 0.00 N ATOM 1091 NH2 ARG A 66 6.869 -6.527 12.319 1.00 0.00 N ATOM 0 H ARG A 66 1.644 -2.352 14.733 1.00 0.00 H new ATOM 0 HA ARG A 66 4.121 -1.055 15.109 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.093 -3.298 14.772 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.771 -3.295 15.923 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.262 -4.300 14.327 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.397 -4.070 13.011 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.946 -5.831 15.437 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.302 -6.430 13.921 1.00 0.00 H new ATOM 0 HE ARG A 66 6.038 -5.269 14.311 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.721 -7.178 12.444 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.935 -7.741 11.291 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.592 -6.001 12.809 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.110 -7.080 11.496 1.00 0.00 H new ATOM 1105 N VAL A 67 3.277 -1.754 12.017 1.00 0.00 N ATOM 1106 CA VAL A 67 3.614 -1.481 10.621 1.00 0.00 C ATOM 1107 C VAL A 67 3.848 0.017 10.419 1.00 0.00 C ATOM 1108 O VAL A 67 4.883 0.426 9.896 1.00 0.00 O ATOM 1109 CB VAL A 67 2.510 -1.979 9.651 1.00 0.00 C ATOM 1110 CG1 VAL A 67 2.839 -1.603 8.204 1.00 0.00 C ATOM 1111 CG2 VAL A 67 2.319 -3.491 9.786 1.00 0.00 C ATOM 0 H VAL A 67 2.352 -2.160 12.156 1.00 0.00 H new ATOM 0 HA VAL A 67 4.529 -2.028 10.392 1.00 0.00 H new ATOM 0 HB VAL A 67 1.575 -1.487 9.921 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.049 -1.964 7.546 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.916 -0.519 8.118 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.787 -2.058 7.916 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.541 -3.822 9.098 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.254 -3.999 9.548 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.026 -3.731 10.808 1.00 0.00 H new ATOM 1121 N ALA A 68 2.897 0.834 10.866 1.00 0.00 N ATOM 1122 CA ALA A 68 3.022 2.288 10.766 1.00 0.00 C ATOM 1123 C ALA A 68 4.295 2.763 11.468 1.00 0.00 C ATOM 1124 O ALA A 68 5.024 3.617 10.958 1.00 0.00 O ATOM 1125 CB ALA A 68 1.795 2.974 11.359 1.00 0.00 C ATOM 0 H ALA A 68 2.031 0.515 11.301 1.00 0.00 H new ATOM 0 HA ALA A 68 3.088 2.557 9.712 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.907 4.055 11.275 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.904 2.658 10.817 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.697 2.700 12.409 1.00 0.00 H new ATOM 1131 N GLN A 69 4.562 2.184 12.634 1.00 0.00 N ATOM 1132 CA GLN A 69 5.768 2.505 13.398 1.00 0.00 C ATOM 1133 C GLN A 69 7.014 1.946 12.702 1.00 0.00 C ATOM 1134 O GLN A 69 8.125 2.449 12.892 1.00 0.00 O ATOM 1135 CB GLN A 69 5.643 1.952 14.823 1.00 0.00 C ATOM 1136 CG GLN A 69 4.440 2.509 15.578 1.00 0.00 C ATOM 1137 CD GLN A 69 4.226 1.846 16.927 1.00 0.00 C ATOM 1138 OE1 GLN A 69 4.736 2.304 17.949 1.00 0.00 O ATOM 1139 NE2 GLN A 69 3.468 0.763 16.937 1.00 0.00 N ATOM 0 H GLN A 69 3.960 1.488 13.074 1.00 0.00 H new ATOM 0 HA GLN A 69 5.874 3.588 13.452 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.566 0.866 14.779 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.552 2.185 15.378 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.574 3.581 15.724 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.545 2.379 14.970 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.064 0.415 16.067 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.287 0.275 17.814 1.00 0.00 H new ATOM 1148 N ARG A 70 6.816 0.914 11.882 1.00 0.00 N ATOM 1149 CA ARG A 70 7.903 0.307 11.108 1.00 0.00 C ATOM 1150 C ARG A 70 8.284 1.241 9.956 1.00 0.00 C ATOM 1151 O ARG A 70 9.443 1.298 9.548 1.00 0.00 O ATOM 1152 CB ARG A 70 7.469 -1.080 10.585 1.00 0.00 C ATOM 1153 CG ARG A 70 8.606 -2.088 10.384 1.00 0.00 C ATOM 1154 CD ARG A 70 9.488 -1.766 9.181 1.00 0.00 C ATOM 1155 NE ARG A 70 10.517 -2.792 8.979 1.00 0.00 N ATOM 1156 CZ ARG A 70 11.038 -3.122 7.794 1.00 0.00 C ATOM 1157 NH1 ARG A 70 10.648 -2.499 6.687 1.00 0.00 N ATOM 1158 NH2 ARG A 70 11.953 -4.077 7.719 1.00 0.00 N ATOM 0 H ARG A 70 5.906 0.477 11.735 1.00 0.00 H new ATOM 0 HA ARG A 70 8.777 0.165 11.744 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.748 -1.505 11.284 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.951 -0.946 9.635 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.223 -2.114 11.282 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.182 -3.084 10.259 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.870 -1.687 8.286 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.963 -0.796 9.326 1.00 0.00 H new ATOM 0 HE ARG A 70 10.859 -3.289 9.802 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.945 -1.762 6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.052 -2.758 5.787 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.258 -4.558 8.565 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.352 -4.331 6.815 1.00 0.00 H new ATOM 1172 N LEU A 71 7.293 1.976 9.441 1.00 0.00 N ATOM 1173 CA LEU A 71 7.542 3.033 8.454 1.00 0.00 C ATOM 1174 C LEU A 71 8.049 4.299 9.147 1.00 0.00 C ATOM 1175 O LEU A 71 8.237 5.338 8.509 1.00 0.00 O ATOM 1176 CB LEU A 71 6.277 3.358 7.647 1.00 0.00 C ATOM 1177 CG LEU A 71 5.912 2.365 6.523 1.00 0.00 C ATOM 1178 CD1 LEU A 71 5.466 1.023 7.089 1.00 0.00 C ATOM 1179 CD2 LEU A 71 4.831 2.947 5.613 1.00 0.00 C ATOM 0 H LEU A 71 6.311 1.859 9.691 1.00 0.00 H new ATOM 0 HA LEU A 71 8.303 2.667 7.765 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.436 3.418 8.338 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.397 4.347 7.205 1.00 0.00 H new ATOM 0 HG LEU A 71 6.811 2.197 5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.217 0.348 6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.273 0.592 7.682 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.589 1.168 7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.590 2.229 4.829 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.936 3.157 6.199 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.194 3.870 5.161 1.00 0.00 H new ATOM 1191 N ASN A 72 8.236 4.199 10.464 1.00 0.00 N ATOM 1192 CA ASN A 72 8.862 5.250 11.271 1.00 0.00 C ATOM 1193 C ASN A 72 7.936 6.453 11.442 1.00 0.00 C ATOM 1194 O ASN A 72 8.395 7.588 11.617 1.00 0.00 O ATOM 1195 CB ASN A 72 10.212 5.683 10.664 1.00 0.00 C ATOM 1196 CG ASN A 72 11.120 4.511 10.308 1.00 0.00 C ATOM 1197 OD1 ASN A 72 11.994 4.631 9.448 1.00 0.00 O ATOM 1198 ND2 ASN A 72 10.901 3.360 10.932 1.00 0.00 N ATOM 0 H ASN A 72 7.956 3.381 11.005 1.00 0.00 H new ATOM 0 HA ASN A 72 9.050 4.833 12.260 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.026 6.274 9.767 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.729 6.331 11.372 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.465 2.541 10.704 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.169 3.295 11.639 1.00 0.00 H new ATOM 1205 N TYR A 73 6.629 6.199 11.414 1.00 0.00 N ATOM 1206 CA TYR A 73 5.643 7.238 11.693 1.00 0.00 C ATOM 1207 C TYR A 73 5.619 7.554 13.193 1.00 0.00 C ATOM 1208 O TYR A 73 5.993 6.710 14.014 1.00 0.00 O ATOM 1209 CB TYR A 73 4.244 6.810 11.218 1.00 0.00 C ATOM 1210 CG TYR A 73 4.070 6.832 9.708 1.00 0.00 C ATOM 1211 CD1 TYR A 73 4.254 8.009 8.989 1.00 0.00 C ATOM 1212 CD2 TYR A 73 3.709 5.686 9.006 1.00 0.00 C ATOM 1213 CE1 TYR A 73 4.086 8.042 7.618 1.00 0.00 C ATOM 1214 CE2 TYR A 73 3.541 5.713 7.634 1.00 0.00 C ATOM 1215 CZ TYR A 73 3.730 6.892 6.945 1.00 0.00 C ATOM 1216 OH TYR A 73 3.559 6.920 5.578 1.00 0.00 O ATOM 0 H TYR A 73 6.230 5.285 11.201 1.00 0.00 H new ATOM 0 HA TYR A 73 5.929 8.136 11.145 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.040 5.803 11.582 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.501 7.468 11.669 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.533 8.912 9.512 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.558 4.760 9.542 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.233 8.964 7.076 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.263 4.814 7.104 1.00 0.00 H new ATOM 0 HH TYR A 73 3.310 6.027 5.261 1.00 0.00 H new ATOM 1226 N PRO A 74 5.205 8.785 13.564 1.00 0.00 N ATOM 1227 CA PRO A 74 5.110 9.208 14.972 1.00 0.00 C ATOM 1228 C PRO A 74 4.217 8.282 15.810 1.00 0.00 C ATOM 1229 O PRO A 74 3.328 7.609 15.277 1.00 0.00 O ATOM 1230 CB PRO A 74 4.500 10.618 14.884 1.00 0.00 C ATOM 1231 CG PRO A 74 4.863 11.094 13.521 1.00 0.00 C ATOM 1232 CD PRO A 74 4.818 9.873 12.644 1.00 0.00 C ATOM 0 HA PRO A 74 6.080 9.180 15.468 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.419 10.593 15.021 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.904 11.274 15.655 1.00 0.00 H new ATOM 0 HG2 PRO A 74 4.164 11.854 13.172 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.855 11.546 13.514 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.824 9.713 12.226 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.507 9.955 11.804 1.00 0.00 H new ATOM 1240 N PRO A 75 4.454 8.238 17.137 1.00 0.00 N ATOM 1241 CA PRO A 75 3.671 7.404 18.063 1.00 0.00 C ATOM 1242 C PRO A 75 2.173 7.728 18.026 1.00 0.00 C ATOM 1243 O PRO A 75 1.762 8.768 17.506 1.00 0.00 O ATOM 1244 CB PRO A 75 4.265 7.741 19.441 1.00 0.00 C ATOM 1245 CG PRO A 75 5.631 8.261 19.149 1.00 0.00 C ATOM 1246 CD PRO A 75 5.513 8.989 17.841 1.00 0.00 C ATOM 0 HA PRO A 75 3.733 6.347 17.806 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.661 8.485 19.961 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.306 6.859 20.081 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.974 8.928 19.940 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.354 7.448 19.082 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.239 10.034 17.984 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.452 8.978 17.287 1.00 0.00 H new ATOM 1254 N GLY A 76 1.365 6.829 18.583 1.00 0.00 N ATOM 1255 CA GLY A 76 -0.078 7.019 18.605 1.00 0.00 C ATOM 1256 C GLY A 76 -0.777 6.156 17.574 1.00 0.00 C ATOM 1257 O GLY A 76 -1.997 6.010 17.606 1.00 0.00 O ATOM 0 H GLY A 76 1.686 5.966 19.023 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.461 6.781 19.597 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.309 8.068 18.418 1.00 0.00 H new ATOM 1261 N LYS A 77 0.017 5.615 16.643 1.00 0.00 N ATOM 1262 CA LYS A 77 -0.439 4.688 15.588 1.00 0.00 C ATOM 1263 C LYS A 77 -1.697 5.186 14.855 1.00 0.00 C ATOM 1264 O LYS A 77 -2.358 4.418 14.151 1.00 0.00 O ATOM 1265 CB LYS A 77 -0.641 3.245 16.127 1.00 0.00 C ATOM 1266 CG LYS A 77 -1.959 2.972 16.872 1.00 0.00 C ATOM 1267 CD LYS A 77 -1.850 3.161 18.387 1.00 0.00 C ATOM 1268 CE LYS A 77 -0.865 2.190 19.029 1.00 0.00 C ATOM 1269 NZ LYS A 77 -0.840 2.338 20.509 1.00 0.00 N ATOM 0 H LYS A 77 1.017 5.810 16.597 1.00 0.00 H new ATOM 0 HA LYS A 77 0.364 4.660 14.852 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.574 2.554 15.287 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.186 3.012 16.798 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.731 3.637 16.485 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.282 1.952 16.663 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.538 4.183 18.600 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.833 3.027 18.838 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.139 1.167 18.769 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.133 2.364 18.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.160 1.663 20.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.555 3.307 20.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.787 2.147 20.893 1.00 0.00 H new ATOM 1283 N ASN A 78 -1.992 6.479 14.975 1.00 0.00 N ATOM 1284 CA ASN A 78 -3.197 7.062 14.378 1.00 0.00 C ATOM 1285 C ASN A 78 -3.097 7.101 12.856 1.00 0.00 C ATOM 1286 O ASN A 78 -4.105 7.228 12.163 1.00 0.00 O ATOM 1287 CB ASN A 78 -3.443 8.477 14.926 1.00 0.00 C ATOM 1288 CG ASN A 78 -3.822 8.481 16.398 1.00 0.00 C ATOM 1289 OD1 ASN A 78 -4.438 7.538 16.898 1.00 0.00 O ATOM 1290 ND2 ASN A 78 -3.460 9.541 17.101 1.00 0.00 N ATOM 0 H ASN A 78 -1.412 7.147 15.482 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.040 6.427 14.649 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.544 9.077 14.785 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -4.237 8.952 14.350 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.690 9.598 18.093 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.951 10.302 16.651 1.00 0.00 H new ATOM 1297 N ILE A 79 -1.877 6.972 12.342 1.00 0.00 N ATOM 1298 CA ILE A 79 -1.636 7.007 10.898 1.00 0.00 C ATOM 1299 C ILE A 79 -2.149 5.715 10.243 1.00 0.00 C ATOM 1300 O ILE A 79 -2.312 5.639 9.024 1.00 0.00 O ATOM 1301 CB ILE A 79 -0.122 7.213 10.563 1.00 0.00 C ATOM 1302 CG1 ILE A 79 0.431 8.503 11.217 1.00 0.00 C ATOM 1303 CG2 ILE A 79 0.103 7.264 9.048 1.00 0.00 C ATOM 1304 CD1 ILE A 79 0.671 8.405 12.714 1.00 0.00 C ATOM 0 H ILE A 79 -1.036 6.842 12.904 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.182 7.860 10.496 1.00 0.00 H new ATOM 0 HB ILE A 79 0.417 6.359 10.972 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.369 8.768 10.729 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.268 9.318 11.028 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.164 7.408 8.842 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.230 6.328 8.599 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.465 8.092 8.624 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.058 9.355 13.083 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.267 8.174 13.219 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.395 7.615 12.916 1.00 0.00 H new ATOM 1316 N GLY A 80 -2.433 4.710 11.073 1.00 0.00 N ATOM 1317 CA GLY A 80 -2.902 3.426 10.577 1.00 0.00 C ATOM 1318 C GLY A 80 -4.209 3.534 9.807 1.00 0.00 C ATOM 1319 O GLY A 80 -4.372 2.908 8.758 1.00 0.00 O ATOM 0 H GLY A 80 -2.345 4.765 12.088 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.140 2.991 9.931 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.035 2.744 11.417 1.00 0.00 H new ATOM 1323 N SER A 81 -5.139 4.332 10.327 1.00 0.00 N ATOM 1324 CA SER A 81 -6.433 4.541 9.678 1.00 0.00 C ATOM 1325 C SER A 81 -6.236 5.209 8.315 1.00 0.00 C ATOM 1326 O SER A 81 -6.876 4.839 7.327 1.00 0.00 O ATOM 1327 CB SER A 81 -7.347 5.391 10.574 1.00 0.00 C ATOM 1328 OG SER A 81 -8.662 5.469 10.047 1.00 0.00 O ATOM 0 H SER A 81 -5.020 4.847 11.200 1.00 0.00 H new ATOM 0 HA SER A 81 -6.911 3.574 9.522 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.380 4.961 11.575 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.932 6.394 10.671 1.00 0.00 H new ATOM 0 HG SER A 81 -9.220 6.015 10.640 1.00 0.00 H new ATOM 1334 N LEU A 82 -5.339 6.193 8.277 1.00 0.00 N ATOM 1335 CA LEU A 82 -4.941 6.848 7.030 1.00 0.00 C ATOM 1336 C LEU A 82 -4.459 5.807 6.020 1.00 0.00 C ATOM 1337 O LEU A 82 -4.893 5.787 4.859 1.00 0.00 O ATOM 1338 CB LEU A 82 -3.811 7.850 7.309 1.00 0.00 C ATOM 1339 CG LEU A 82 -3.162 8.492 6.068 1.00 0.00 C ATOM 1340 CD1 LEU A 82 -3.981 9.668 5.549 1.00 0.00 C ATOM 1341 CD2 LEU A 82 -1.735 8.922 6.370 1.00 0.00 C ATOM 0 H LEU A 82 -4.869 6.558 9.105 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.802 7.374 6.618 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.204 8.645 7.942 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.034 7.342 7.880 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.138 7.737 5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.491 10.094 4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.978 9.324 5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.060 10.428 6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.295 9.373 5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.738 9.649 7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.148 8.052 6.664 1.00 0.00 H new ATOM 1353 N LEU A 83 -3.559 4.945 6.486 1.00 0.00 N ATOM 1354 CA LEU A 83 -2.977 3.896 5.661 1.00 0.00 C ATOM 1355 C LEU A 83 -4.070 2.987 5.106 1.00 0.00 C ATOM 1356 O LEU A 83 -4.129 2.744 3.900 1.00 0.00 O ATOM 1357 CB LEU A 83 -1.965 3.083 6.481 1.00 0.00 C ATOM 1358 CG LEU A 83 -1.285 1.931 5.729 1.00 0.00 C ATOM 1359 CD1 LEU A 83 -0.506 2.463 4.530 1.00 0.00 C ATOM 1360 CD2 LEU A 83 -0.371 1.138 6.664 1.00 0.00 C ATOM 0 H LEU A 83 -3.214 4.956 7.446 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.457 4.357 4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.194 3.760 6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.474 2.675 7.354 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.058 1.256 5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.030 1.633 4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.188 2.975 3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.257 3.161 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.101 0.326 6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.398 1.797 7.067 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.959 0.724 7.483 1.00 0.00 H new ATOM 1372 N ARG A 84 -4.940 2.509 5.993 1.00 0.00 N ATOM 1373 CA ARG A 84 -6.078 1.678 5.599 1.00 0.00 C ATOM 1374 C ARG A 84 -6.904 2.365 4.519 1.00 0.00 C ATOM 1375 O ARG A 84 -7.126 1.809 3.447 1.00 0.00 O ATOM 1376 CB ARG A 84 -6.969 1.368 6.815 1.00 0.00 C ATOM 1377 CG ARG A 84 -6.529 0.149 7.616 1.00 0.00 C ATOM 1378 CD ARG A 84 -6.704 -1.140 6.818 1.00 0.00 C ATOM 1379 NE ARG A 84 -8.091 -1.331 6.369 1.00 0.00 N ATOM 1380 CZ ARG A 84 -8.647 -2.523 6.132 1.00 0.00 C ATOM 1381 NH1 ARG A 84 -7.944 -3.630 6.301 1.00 0.00 N ATOM 1382 NH2 ARG A 84 -9.904 -2.607 5.712 1.00 0.00 N ATOM 0 H ARG A 84 -4.879 2.684 6.996 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.685 0.743 5.198 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.981 2.237 7.473 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.992 1.214 6.472 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.484 0.260 7.904 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.109 0.089 8.537 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.043 -1.122 5.952 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.402 -1.989 7.431 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.666 -0.500 6.229 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.974 -3.576 6.613 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -8.371 -4.538 6.119 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.451 -1.758 5.568 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.322 -3.520 5.533 1.00 0.00 H new ATOM 1396 N SER A 85 -7.329 3.589 4.802 1.00 0.00 N ATOM 1397 CA SER A 85 -8.203 4.333 3.904 1.00 0.00 C ATOM 1398 C SER A 85 -7.582 4.479 2.513 1.00 0.00 C ATOM 1399 O SER A 85 -8.278 4.360 1.500 1.00 0.00 O ATOM 1400 CB SER A 85 -8.518 5.707 4.505 1.00 0.00 C ATOM 1401 OG SER A 85 -9.088 5.570 5.798 1.00 0.00 O ATOM 0 H SER A 85 -7.080 4.092 5.654 1.00 0.00 H new ATOM 0 HA SER A 85 -9.132 3.774 3.789 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.606 6.301 4.565 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.207 6.245 3.854 1.00 0.00 H new ATOM 0 HG SER A 85 -8.386 5.339 6.442 1.00 0.00 H new ATOM 1407 N HIS A 86 -6.272 4.715 2.466 1.00 0.00 N ATOM 1408 CA HIS A 86 -5.568 4.852 1.192 1.00 0.00 C ATOM 1409 C HIS A 86 -5.376 3.491 0.532 1.00 0.00 C ATOM 1410 O HIS A 86 -5.480 3.367 -0.688 1.00 0.00 O ATOM 1411 CB HIS A 86 -4.208 5.544 1.382 1.00 0.00 C ATOM 1412 CG HIS A 86 -4.292 6.982 1.813 1.00 0.00 C ATOM 1413 ND1 HIS A 86 -5.422 7.760 1.657 1.00 0.00 N ATOM 1414 CD2 HIS A 86 -3.366 7.789 2.390 1.00 0.00 C ATOM 1415 CE1 HIS A 86 -5.188 8.975 2.117 1.00 0.00 C ATOM 1416 NE2 HIS A 86 -3.949 9.019 2.566 1.00 0.00 N ATOM 0 H HIS A 86 -5.679 4.815 3.290 1.00 0.00 H new ATOM 0 HA HIS A 86 -6.181 5.474 0.540 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.633 4.989 2.124 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.654 5.491 0.445 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -6.302 7.444 1.249 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.357 7.514 2.661 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.892 9.794 2.124 1.00 0.00 H new ATOM 1425 N TYR A 87 -5.115 2.470 1.339 1.00 0.00 N ATOM 1426 CA TYR A 87 -4.899 1.128 0.815 1.00 0.00 C ATOM 1427 C TYR A 87 -6.180 0.636 0.150 1.00 0.00 C ATOM 1428 O TYR A 87 -6.179 0.273 -1.023 1.00 0.00 O ATOM 1429 CB TYR A 87 -4.469 0.163 1.936 1.00 0.00 C ATOM 1430 CG TYR A 87 -3.833 -1.128 1.434 1.00 0.00 C ATOM 1431 CD1 TYR A 87 -4.570 -2.070 0.718 1.00 0.00 C ATOM 1432 CD2 TYR A 87 -2.488 -1.399 1.672 1.00 0.00 C ATOM 1433 CE1 TYR A 87 -3.987 -3.236 0.259 1.00 0.00 C ATOM 1434 CE2 TYR A 87 -1.899 -2.564 1.214 1.00 0.00 C ATOM 1435 CZ TYR A 87 -2.653 -3.479 0.509 1.00 0.00 C ATOM 1436 OH TYR A 87 -2.072 -4.638 0.046 1.00 0.00 O ATOM 0 H TYR A 87 -5.048 2.545 2.354 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.097 1.160 0.078 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.762 0.674 2.589 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.341 -0.085 2.542 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -5.615 -1.885 0.518 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.894 -0.686 2.224 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -4.574 -3.954 -0.294 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.854 -2.756 1.407 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.127 -4.656 0.305 1.00 0.00 H new ATOM 1446 N GLU A 88 -7.276 0.696 0.896 1.00 0.00 N ATOM 1447 CA GLU A 88 -8.564 0.166 0.454 1.00 0.00 C ATOM 1448 C GLU A 88 -9.074 0.865 -0.810 1.00 0.00 C ATOM 1449 O GLU A 88 -9.946 0.339 -1.504 1.00 0.00 O ATOM 1450 CB GLU A 88 -9.593 0.313 1.581 1.00 0.00 C ATOM 1451 CG GLU A 88 -9.240 -0.472 2.840 1.00 0.00 C ATOM 1452 CD GLU A 88 -10.176 -0.175 4.001 1.00 0.00 C ATOM 1453 OE1 GLU A 88 -11.320 -0.675 3.996 1.00 0.00 O ATOM 1454 OE2 GLU A 88 -9.777 0.565 4.925 1.00 0.00 O ATOM 0 H GLU A 88 -7.299 1.114 1.826 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.423 -0.887 0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.690 1.368 1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.566 -0.018 1.218 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.271 -1.539 2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.217 -0.237 3.134 1.00 0.00 H new ATOM 1461 N ARG A 89 -8.543 2.051 -1.103 1.00 0.00 N ATOM 1462 CA ARG A 89 -9.003 2.826 -2.255 1.00 0.00 C ATOM 1463 C ARG A 89 -7.991 2.810 -3.401 1.00 0.00 C ATOM 1464 O ARG A 89 -8.371 2.933 -4.565 1.00 0.00 O ATOM 1465 CB ARG A 89 -9.307 4.265 -1.821 1.00 0.00 C ATOM 1466 CG ARG A 89 -10.508 4.365 -0.884 1.00 0.00 C ATOM 1467 CD ARG A 89 -10.656 5.752 -0.267 1.00 0.00 C ATOM 1468 NE ARG A 89 -11.847 5.838 0.585 1.00 0.00 N ATOM 1469 CZ ARG A 89 -12.023 5.136 1.711 1.00 0.00 C ATOM 1470 NH1 ARG A 89 -11.065 4.329 2.158 1.00 0.00 N ATOM 1471 NH2 ARG A 89 -13.153 5.256 2.396 1.00 0.00 N ATOM 0 H ARG A 89 -7.799 2.494 -0.563 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.914 2.360 -2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.431 4.682 -1.325 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.492 4.874 -2.706 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -11.416 4.118 -1.435 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -10.406 3.626 -0.089 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.769 5.986 0.322 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -10.719 6.499 -1.059 1.00 0.00 H new ATOM 0 HE ARG A 89 -12.591 6.475 0.300 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -10.189 4.242 1.642 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -11.206 3.797 3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.886 5.883 2.064 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -13.288 4.722 3.254 1.00 0.00 H new ATOM 1485 N ILE A 90 -6.710 2.644 -3.080 1.00 0.00 N ATOM 1486 CA ILE A 90 -5.652 2.735 -4.092 1.00 0.00 C ATOM 1487 C ILE A 90 -4.893 1.413 -4.244 1.00 0.00 C ATOM 1488 O ILE A 90 -4.783 0.871 -5.345 1.00 0.00 O ATOM 1489 CB ILE A 90 -4.635 3.860 -3.745 1.00 0.00 C ATOM 1490 CG1 ILE A 90 -5.354 5.210 -3.544 1.00 0.00 C ATOM 1491 CG2 ILE A 90 -3.561 3.976 -4.829 1.00 0.00 C ATOM 1492 CD1 ILE A 90 -6.096 5.707 -4.769 1.00 0.00 C ATOM 0 H ILE A 90 -6.378 2.447 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.148 2.969 -5.034 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.146 3.594 -2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.060 5.114 -2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.620 5.960 -3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.861 4.769 -4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.024 3.031 -4.912 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.032 4.211 -5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.573 6.661 -4.543 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.393 5.839 -5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.856 4.980 -5.054 1.00 0.00 H new ATOM 1504 N VAL A 91 -4.384 0.890 -3.132 1.00 0.00 N ATOM 1505 CA VAL A 91 -3.441 -0.232 -3.170 1.00 0.00 C ATOM 1506 C VAL A 91 -4.152 -1.592 -3.170 1.00 0.00 C ATOM 1507 O VAL A 91 -3.587 -2.592 -3.610 1.00 0.00 O ATOM 1508 CB VAL A 91 -2.455 -0.165 -1.974 1.00 0.00 C ATOM 1509 CG1 VAL A 91 -1.347 -1.212 -2.108 1.00 0.00 C ATOM 1510 CG2 VAL A 91 -1.866 1.240 -1.835 1.00 0.00 C ATOM 0 H VAL A 91 -4.606 1.222 -2.193 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.888 -0.141 -4.105 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.015 -0.391 -1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.673 -1.139 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.789 -2.208 -2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.789 -1.036 -3.028 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.178 1.264 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.330 1.502 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.670 1.957 -1.668 1.00 0.00 H new ATOM 1520 N TYR A 92 -5.394 -1.629 -2.700 1.00 0.00 N ATOM 1521 CA TYR A 92 -6.125 -2.892 -2.575 1.00 0.00 C ATOM 1522 C TYR A 92 -6.358 -3.533 -3.954 1.00 0.00 C ATOM 1523 O TYR A 92 -6.211 -4.748 -4.099 1.00 0.00 O ATOM 1524 CB TYR A 92 -7.452 -2.691 -1.819 1.00 0.00 C ATOM 1525 CG TYR A 92 -8.003 -3.954 -1.161 1.00 0.00 C ATOM 1526 CD1 TYR A 92 -7.269 -5.138 -1.133 1.00 0.00 C ATOM 1527 CD2 TYR A 92 -9.256 -3.954 -0.555 1.00 0.00 C ATOM 1528 CE1 TYR A 92 -7.768 -6.277 -0.528 1.00 0.00 C ATOM 1529 CE2 TYR A 92 -9.758 -5.088 0.053 1.00 0.00 C ATOM 1530 CZ TYR A 92 -9.012 -6.247 0.065 1.00 0.00 C ATOM 1531 OH TYR A 92 -9.514 -7.379 0.667 1.00 0.00 O ATOM 0 H TYR A 92 -5.916 -0.806 -2.400 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.513 -3.578 -1.990 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.307 -1.930 -1.052 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.197 -2.304 -2.514 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.292 -5.167 -1.592 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.847 -3.050 -0.560 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.185 -7.186 -0.520 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.733 -5.067 0.518 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.913 -7.962 -0.013 1.00 0.00 H new ATOM 1541 N PRO A 93 -6.730 -2.743 -4.995 1.00 0.00 N ATOM 1542 CA PRO A 93 -6.770 -3.247 -6.375 1.00 0.00 C ATOM 1543 C PRO A 93 -5.453 -3.923 -6.771 1.00 0.00 C ATOM 1544 O PRO A 93 -5.443 -4.893 -7.529 1.00 0.00 O ATOM 1545 CB PRO A 93 -7.006 -1.983 -7.212 1.00 0.00 C ATOM 1546 CG PRO A 93 -7.735 -1.062 -6.295 1.00 0.00 C ATOM 1547 CD PRO A 93 -7.184 -1.335 -4.918 1.00 0.00 C ATOM 0 HA PRO A 93 -7.538 -4.007 -6.516 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.065 -1.547 -7.547 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.592 -2.201 -8.105 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.579 -0.022 -6.580 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.809 -1.244 -6.330 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.362 -0.662 -4.675 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.944 -1.201 -4.148 1.00 0.00 H new ATOM 1555 N TYR A 94 -4.345 -3.408 -6.234 1.00 0.00 N ATOM 1556 CA TYR A 94 -3.021 -3.963 -6.509 1.00 0.00 C ATOM 1557 C TYR A 94 -2.801 -5.270 -5.762 1.00 0.00 C ATOM 1558 O TYR A 94 -2.025 -6.109 -6.210 1.00 0.00 O ATOM 1559 CB TYR A 94 -1.916 -2.958 -6.165 1.00 0.00 C ATOM 1560 CG TYR A 94 -1.656 -1.959 -7.272 1.00 0.00 C ATOM 1561 CD1 TYR A 94 -0.734 -2.243 -8.273 1.00 0.00 C ATOM 1562 CD2 TYR A 94 -2.329 -0.744 -7.323 1.00 0.00 C ATOM 1563 CE1 TYR A 94 -0.490 -1.347 -9.290 1.00 0.00 C ATOM 1564 CE2 TYR A 94 -2.088 0.159 -8.337 1.00 0.00 C ATOM 1565 CZ TYR A 94 -1.167 -0.146 -9.316 1.00 0.00 C ATOM 1566 OH TYR A 94 -0.932 0.746 -10.333 1.00 0.00 O ATOM 0 H TYR A 94 -4.340 -2.605 -5.605 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.973 -4.172 -7.578 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.191 -2.422 -5.257 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.995 -3.500 -5.949 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.200 -3.182 -8.253 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.051 -0.504 -6.557 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.227 -1.583 -10.062 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -2.618 1.100 -8.364 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.707 1.622 -9.955 1.00 0.00 H new ATOM 1576 N GLU A 95 -3.470 -5.442 -4.624 1.00 0.00 N ATOM 1577 CA GLU A 95 -3.448 -6.727 -3.933 1.00 0.00 C ATOM 1578 C GLU A 95 -4.079 -7.777 -4.837 1.00 0.00 C ATOM 1579 O GLU A 95 -3.488 -8.817 -5.113 1.00 0.00 O ATOM 1580 CB GLU A 95 -4.204 -6.665 -2.595 1.00 0.00 C ATOM 1581 CG GLU A 95 -4.293 -8.014 -1.876 1.00 0.00 C ATOM 1582 CD GLU A 95 -2.946 -8.496 -1.339 1.00 0.00 C ATOM 1583 OE1 GLU A 95 -2.086 -8.903 -2.149 1.00 0.00 O ATOM 1584 OE2 GLU A 95 -2.749 -8.472 -0.104 1.00 0.00 O ATOM 0 H GLU A 95 -4.026 -4.719 -4.167 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.413 -6.987 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.709 -5.947 -1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.212 -6.291 -2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.999 -7.933 -1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.692 -8.760 -2.564 1.00 0.00 H new ATOM 1591 N MET A 96 -5.274 -7.471 -5.329 1.00 0.00 N ATOM 1592 CA MET A 96 -5.990 -8.375 -6.221 1.00 0.00 C ATOM 1593 C MET A 96 -5.169 -8.633 -7.485 1.00 0.00 C ATOM 1594 O MET A 96 -5.123 -9.752 -7.991 1.00 0.00 O ATOM 1595 CB MET A 96 -7.364 -7.797 -6.588 1.00 0.00 C ATOM 1596 CG MET A 96 -8.245 -8.777 -7.351 1.00 0.00 C ATOM 1597 SD MET A 96 -8.600 -10.264 -6.392 1.00 0.00 S ATOM 1598 CE MET A 96 -9.501 -11.241 -7.591 1.00 0.00 C ATOM 0 H MET A 96 -5.768 -6.602 -5.125 1.00 0.00 H new ATOM 0 HA MET A 96 -6.142 -9.321 -5.702 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.877 -7.492 -5.676 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.224 -6.900 -7.191 1.00 0.00 H new ATOM 0 HG2 MET A 96 -9.181 -8.288 -7.620 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.753 -9.056 -8.282 1.00 0.00 H new ATOM 0 HE1 MET A 96 -9.789 -12.192 -7.143 1.00 0.00 H new ATOM 0 HE2 MET A 96 -10.395 -10.701 -7.902 1.00 0.00 H new ATOM 0 HE3 MET A 96 -8.868 -11.425 -8.459 1.00 0.00 H new ATOM 1608 N TYR A 97 -4.512 -7.587 -7.978 1.00 0.00 N ATOM 1609 CA TYR A 97 -3.656 -7.685 -9.160 1.00 0.00 C ATOM 1610 C TYR A 97 -2.457 -8.607 -8.894 1.00 0.00 C ATOM 1611 O TYR A 97 -2.286 -9.633 -9.559 1.00 0.00 O ATOM 1612 CB TYR A 97 -3.189 -6.275 -9.572 1.00 0.00 C ATOM 1613 CG TYR A 97 -2.139 -6.235 -10.676 1.00 0.00 C ATOM 1614 CD1 TYR A 97 -2.431 -6.657 -11.971 1.00 0.00 C ATOM 1615 CD2 TYR A 97 -0.852 -5.771 -10.418 1.00 0.00 C ATOM 1616 CE1 TYR A 97 -1.475 -6.619 -12.968 1.00 0.00 C ATOM 1617 CE2 TYR A 97 0.108 -5.732 -11.410 1.00 0.00 C ATOM 1618 CZ TYR A 97 -0.208 -6.158 -12.683 1.00 0.00 C ATOM 1619 OH TYR A 97 0.746 -6.122 -13.675 1.00 0.00 O ATOM 0 H TYR A 97 -4.556 -6.652 -7.573 1.00 0.00 H new ATOM 0 HA TYR A 97 -4.228 -8.122 -9.979 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.058 -5.703 -9.898 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.788 -5.771 -8.693 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -3.422 -7.020 -12.200 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.600 -5.435 -9.423 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -1.720 -6.949 -13.967 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.101 -5.370 -11.190 1.00 0.00 H new ATOM 0 HH TYR A 97 1.585 -5.770 -13.310 1.00 0.00 H new ATOM 1629 N GLN A 98 -1.652 -8.246 -7.900 1.00 0.00 N ATOM 1630 CA GLN A 98 -0.424 -8.973 -7.577 1.00 0.00 C ATOM 1631 C GLN A 98 -0.755 -10.373 -7.058 1.00 0.00 C ATOM 1632 O GLN A 98 -0.320 -11.380 -7.632 1.00 0.00 O ATOM 1633 CB GLN A 98 0.386 -8.169 -6.535 1.00 0.00 C ATOM 1634 CG GLN A 98 1.780 -8.718 -6.204 1.00 0.00 C ATOM 1635 CD GLN A 98 1.759 -9.942 -5.297 1.00 0.00 C ATOM 1636 OE1 GLN A 98 1.763 -11.080 -5.764 1.00 0.00 O ATOM 1637 NE2 GLN A 98 1.714 -9.713 -3.995 1.00 0.00 N ATOM 0 H GLN A 98 -1.830 -7.444 -7.296 1.00 0.00 H new ATOM 0 HA GLN A 98 0.180 -9.088 -8.477 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.496 -7.147 -6.898 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.193 -8.119 -5.613 1.00 0.00 H new ATOM 0 HG2 GLN A 98 2.289 -8.974 -7.133 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.365 -7.933 -5.726 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.712 -8.755 -3.645 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.681 -10.495 -3.341 1.00 0.00 H new ATOM 1646 N SER A 99 -1.544 -10.430 -5.989 1.00 0.00 N ATOM 1647 CA SER A 99 -1.921 -11.698 -5.382 1.00 0.00 C ATOM 1648 C SER A 99 -2.721 -12.532 -6.382 1.00 0.00 C ATOM 1649 O SER A 99 -2.469 -13.722 -6.547 1.00 0.00 O ATOM 1650 CB SER A 99 -2.726 -11.457 -4.090 1.00 0.00 C ATOM 1651 OG SER A 99 -2.937 -12.661 -3.369 1.00 0.00 O ATOM 0 H SER A 99 -1.934 -9.609 -5.526 1.00 0.00 H new ATOM 0 HA SER A 99 -1.020 -12.250 -5.115 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.196 -10.744 -3.459 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.688 -11.009 -4.339 1.00 0.00 H new ATOM 0 HG SER A 99 -2.330 -13.354 -3.704 1.00 0.00 H new ATOM 1657 N GLY A 100 -3.644 -11.887 -7.093 1.00 0.00 N ATOM 1658 CA GLY A 100 -4.454 -12.589 -8.073 1.00 0.00 C ATOM 1659 C GLY A 100 -3.626 -13.155 -9.211 1.00 0.00 C ATOM 1660 O GLY A 100 -3.995 -14.166 -9.812 1.00 0.00 O ATOM 0 H GLY A 100 -3.845 -10.891 -7.007 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.993 -13.399 -7.582 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.203 -11.907 -8.476 1.00 0.00 H new ATOM 1664 N ALA A 101 -2.515 -12.491 -9.524 1.00 0.00 N ATOM 1665 CA ALA A 101 -1.603 -12.969 -10.559 1.00 0.00 C ATOM 1666 C ALA A 101 -0.820 -14.193 -10.083 1.00 0.00 C ATOM 1667 O ALA A 101 -0.759 -15.215 -10.775 1.00 0.00 O ATOM 1668 CB ALA A 101 -0.646 -11.858 -10.983 1.00 0.00 C ATOM 0 H ALA A 101 -2.226 -11.622 -9.076 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.200 -13.265 -11.421 1.00 0.00 H new ATOM 0 HB1 ALA A 101 0.026 -12.232 -11.755 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.217 -11.016 -11.376 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.063 -11.531 -10.122 1.00 0.00 H new ATOM 1674 N ASN A 102 -0.229 -14.088 -8.896 1.00 0.00 N ATOM 1675 CA ASN A 102 0.640 -15.146 -8.369 1.00 0.00 C ATOM 1676 C ASN A 102 -0.162 -16.202 -7.605 1.00 0.00 C ATOM 1677 O ASN A 102 -0.182 -17.373 -7.988 1.00 0.00 O ATOM 1678 CB ASN A 102 1.726 -14.547 -7.460 1.00 0.00 C ATOM 1679 CG ASN A 102 2.649 -13.591 -8.198 1.00 0.00 C ATOM 1680 OD1 ASN A 102 3.648 -14.002 -8.791 1.00 0.00 O ATOM 1681 ND2 ASN A 102 2.335 -12.305 -8.154 1.00 0.00 N ATOM 0 H ASN A 102 -0.333 -13.283 -8.278 1.00 0.00 H new ATOM 0 HA ASN A 102 1.117 -15.635 -9.219 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.251 -14.020 -6.632 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.317 -15.354 -7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 102 2.928 -11.619 -8.621 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.500 -12.001 -7.653 1.00 0.00 H new ATOM 1688 N LEU A 103 -0.828 -15.777 -6.533 1.00 0.00 N ATOM 1689 CA LEU A 103 -1.637 -16.668 -5.698 1.00 0.00 C ATOM 1690 C LEU A 103 -2.463 -15.828 -4.723 1.00 0.00 C ATOM 1691 O LEU A 103 -1.911 -15.081 -3.909 1.00 0.00 O ATOM 1692 CB LEU A 103 -0.761 -17.700 -4.942 1.00 0.00 C ATOM 1693 CG LEU A 103 0.171 -17.162 -3.828 1.00 0.00 C ATOM 1694 CD1 LEU A 103 0.868 -18.317 -3.109 1.00 0.00 C ATOM 1695 CD2 LEU A 103 1.206 -16.185 -4.384 1.00 0.00 C ATOM 0 H LEU A 103 -0.823 -14.807 -6.218 1.00 0.00 H new ATOM 0 HA LEU A 103 -2.306 -17.239 -6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.423 -18.443 -4.498 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.145 -18.220 -5.675 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.449 -16.621 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.519 -17.921 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.120 -18.970 -2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.463 -18.885 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.842 -15.828 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.819 -16.690 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.697 -15.339 -4.845 1.00 0.00 H new ATOM 1707 N VAL A 104 -3.785 -15.939 -4.811 1.00 0.00 N ATOM 1708 CA VAL A 104 -4.676 -15.060 -4.063 1.00 0.00 C ATOM 1709 C VAL A 104 -4.966 -15.635 -2.677 1.00 0.00 C ATOM 1710 O VAL A 104 -5.669 -16.637 -2.527 1.00 0.00 O ATOM 1711 CB VAL A 104 -5.995 -14.780 -4.839 1.00 0.00 C ATOM 1712 CG1 VAL A 104 -6.745 -16.073 -5.166 1.00 0.00 C ATOM 1713 CG2 VAL A 104 -6.885 -13.808 -4.063 1.00 0.00 C ATOM 0 H VAL A 104 -4.262 -16.628 -5.392 1.00 0.00 H new ATOM 0 HA VAL A 104 -4.166 -14.105 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.727 -14.314 -5.787 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.660 -15.836 -5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.114 -16.714 -5.782 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.995 -16.592 -4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -7.802 -13.627 -4.624 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.133 -14.237 -3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -6.356 -12.866 -3.919 1.00 0.00 H new ATOM 1723 N CYS A 105 -4.388 -15.001 -1.663 1.00 0.00 N ATOM 1724 CA CYS A 105 -4.480 -15.492 -0.290 1.00 0.00 C ATOM 1725 C CYS A 105 -5.655 -14.859 0.463 1.00 0.00 C ATOM 1726 O CYS A 105 -6.227 -15.477 1.358 1.00 0.00 O ATOM 1727 CB CYS A 105 -3.165 -15.206 0.441 1.00 0.00 C ATOM 1728 SG CYS A 105 -1.700 -15.823 -0.427 1.00 0.00 S ATOM 0 H CYS A 105 -3.848 -14.142 -1.765 1.00 0.00 H new ATOM 0 HA CYS A 105 -4.658 -16.567 -0.323 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -3.066 -14.130 0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -3.205 -15.657 1.433 1.00 0.00 H new ATOM 0 HG CYS A 105 -1.807 -15.564 -1.696 1.00 0.00 H new ATOM 1734 N ASN A 106 -6.033 -13.639 0.079 1.00 0.00 N ATOM 1735 CA ASN A 106 -7.118 -12.909 0.757 1.00 0.00 C ATOM 1736 C ASN A 106 -8.464 -13.195 0.087 1.00 0.00 C ATOM 1737 O ASN A 106 -9.427 -12.451 0.261 1.00 0.00 O ATOM 1738 CB ASN A 106 -6.846 -11.394 0.731 1.00 0.00 C ATOM 1739 CG ASN A 106 -5.462 -11.019 1.240 1.00 0.00 C ATOM 1740 OD1 ASN A 106 -4.874 -11.713 2.072 1.00 0.00 O ATOM 1741 ND2 ASN A 106 -4.936 -9.910 0.746 1.00 0.00 N ATOM 0 H ASN A 106 -5.608 -13.131 -0.697 1.00 0.00 H new ATOM 0 HA ASN A 106 -7.156 -13.250 1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.961 -11.029 -0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -7.597 -10.887 1.337 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.013 -9.603 1.052 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.454 -9.362 0.059 1.00 0.00 H new ATOM 1748 N THR A 107 -8.529 -14.296 -0.654 1.00 0.00 N ATOM 1749 CA THR A 107 -9.670 -14.586 -1.519 1.00 0.00 C ATOM 1750 C THR A 107 -11.001 -14.723 -0.761 1.00 0.00 C ATOM 1751 O THR A 107 -12.057 -14.466 -1.339 1.00 0.00 O ATOM 1752 CB THR A 107 -9.414 -15.855 -2.375 1.00 0.00 C ATOM 1753 OG1 THR A 107 -10.592 -16.213 -3.114 1.00 0.00 O ATOM 1754 CG2 THR A 107 -8.962 -17.029 -1.512 1.00 0.00 C ATOM 0 H THR A 107 -7.799 -15.008 -0.673 1.00 0.00 H new ATOM 0 HA THR A 107 -9.769 -13.719 -2.172 1.00 0.00 H new ATOM 0 HB THR A 107 -8.613 -15.621 -3.076 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.412 -17.014 -3.649 1.00 0.00 H new ATOM 0 HG21 THR A 107 -8.792 -17.901 -2.144 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.037 -16.768 -0.998 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.734 -17.259 -0.777 1.00 0.00 H new ATOM 1762 N ARG A 108 -10.973 -15.122 0.515 1.00 0.00 N ATOM 1763 CA ARG A 108 -12.224 -15.303 1.269 1.00 0.00 C ATOM 1764 C ARG A 108 -12.620 -14.050 2.066 1.00 0.00 C ATOM 1765 O ARG A 108 -13.665 -13.456 1.788 1.00 0.00 O ATOM 1766 CB ARG A 108 -12.178 -16.534 2.204 1.00 0.00 C ATOM 1767 CG ARG A 108 -12.456 -17.878 1.527 1.00 0.00 C ATOM 1768 CD ARG A 108 -11.274 -18.373 0.709 1.00 0.00 C ATOM 1769 NE ARG A 108 -10.062 -18.504 1.526 1.00 0.00 N ATOM 1770 CZ ARG A 108 -9.214 -19.533 1.466 1.00 0.00 C ATOM 1771 NH1 ARG A 108 -9.458 -20.563 0.663 1.00 0.00 N ATOM 1772 NH2 ARG A 108 -8.128 -19.533 2.229 1.00 0.00 N ATOM 0 H ARG A 108 -10.122 -15.322 1.040 1.00 0.00 H new ATOM 0 HA ARG A 108 -12.992 -15.479 0.515 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.195 -16.578 2.672 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.905 -16.391 3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.704 -18.619 2.287 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -13.327 -17.782 0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.518 -19.338 0.264 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.086 -17.682 -0.112 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.853 -17.756 2.187 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -10.299 -20.572 0.086 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.804 -21.345 0.624 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.946 -18.750 2.856 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.476 -20.316 2.188 1.00 0.00 H new ATOM 1786 N PRO A 109 -11.810 -13.604 3.058 1.00 0.00 N ATOM 1787 CA PRO A 109 -12.208 -12.516 3.961 1.00 0.00 C ATOM 1788 C PRO A 109 -12.176 -11.147 3.274 1.00 0.00 C ATOM 1789 O PRO A 109 -12.412 -10.114 3.909 1.00 0.00 O ATOM 1790 CB PRO A 109 -11.188 -12.596 5.117 1.00 0.00 C ATOM 1791 CG PRO A 109 -10.376 -13.828 4.858 1.00 0.00 C ATOM 1792 CD PRO A 109 -10.454 -14.072 3.378 1.00 0.00 C ATOM 0 HA PRO A 109 -13.238 -12.625 4.301 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -10.555 -11.709 5.143 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -11.693 -12.656 6.081 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -9.343 -13.688 5.176 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.769 -14.679 5.415 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -9.692 -13.515 2.833 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.318 -15.125 3.131 1.00 0.00 H new ATOM 1800 N PHE A 110 -11.902 -11.160 1.970 1.00 0.00 N ATOM 1801 CA PHE A 110 -11.994 -9.968 1.126 1.00 0.00 C ATOM 1802 C PHE A 110 -13.333 -9.264 1.392 1.00 0.00 C ATOM 1803 O PHE A 110 -13.414 -8.035 1.486 1.00 0.00 O ATOM 1804 CB PHE A 110 -11.891 -10.393 -0.352 1.00 0.00 C ATOM 1805 CG PHE A 110 -11.337 -9.340 -1.279 1.00 0.00 C ATOM 1806 CD1 PHE A 110 -12.067 -8.202 -1.585 1.00 0.00 C ATOM 1807 CD2 PHE A 110 -10.081 -9.500 -1.854 1.00 0.00 C ATOM 1808 CE1 PHE A 110 -11.558 -7.243 -2.442 1.00 0.00 C ATOM 1809 CE2 PHE A 110 -9.569 -8.545 -2.711 1.00 0.00 C ATOM 1810 CZ PHE A 110 -10.307 -7.415 -3.006 1.00 0.00 C ATOM 0 H PHE A 110 -11.610 -11.998 1.468 1.00 0.00 H new ATOM 0 HA PHE A 110 -11.183 -9.277 1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -11.262 -11.281 -0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -12.883 -10.679 -0.702 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -13.045 -8.062 -1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -9.499 -10.381 -1.628 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -12.137 -6.360 -2.671 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -8.592 -8.682 -3.150 1.00 0.00 H new ATOM 0 HZ PHE A 110 -9.908 -6.668 -3.676 1.00 0.00 H new ATOM 1820 N ASP A 111 -14.376 -10.082 1.537 1.00 0.00 N ATOM 1821 CA ASP A 111 -15.714 -9.607 1.897 1.00 0.00 C ATOM 1822 C ASP A 111 -15.691 -8.898 3.250 1.00 0.00 C ATOM 1823 O ASP A 111 -16.325 -7.860 3.432 1.00 0.00 O ATOM 1824 CB ASP A 111 -16.692 -10.794 1.940 1.00 0.00 C ATOM 1825 CG ASP A 111 -18.020 -10.455 2.607 1.00 0.00 C ATOM 1826 OD1 ASP A 111 -18.886 -9.842 1.952 1.00 0.00 O ATOM 1827 OD2 ASP A 111 -18.201 -10.816 3.792 1.00 0.00 O ATOM 0 H ASP A 111 -14.318 -11.092 1.408 1.00 0.00 H new ATOM 0 HA ASP A 111 -16.045 -8.893 1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -16.881 -11.137 0.923 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.225 -11.622 2.474 1.00 0.00 H new ATOM 1832 N ASN A 112 -14.936 -9.462 4.189 1.00 0.00 N ATOM 1833 CA ASN A 112 -14.828 -8.910 5.542 1.00 0.00 C ATOM 1834 C ASN A 112 -13.874 -7.714 5.576 1.00 0.00 C ATOM 1835 O ASN A 112 -13.734 -7.053 6.605 1.00 0.00 O ATOM 1836 CB ASN A 112 -14.368 -9.988 6.539 1.00 0.00 C ATOM 1837 CG ASN A 112 -15.476 -10.959 6.938 1.00 0.00 C ATOM 1838 OD1 ASN A 112 -15.466 -11.497 8.045 1.00 0.00 O ATOM 1839 ND2 ASN A 112 -16.438 -11.194 6.056 1.00 0.00 N ATOM 0 H ASN A 112 -14.385 -10.307 4.039 1.00 0.00 H new ATOM 0 HA ASN A 112 -15.819 -8.565 5.838 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -13.544 -10.550 6.100 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -13.981 -9.502 7.435 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -17.196 -11.836 6.287 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -16.419 -10.733 5.146 1.00 0.00 H new ATOM 1846 N GLU A 113 -13.178 -7.474 4.470 1.00 0.00 N ATOM 1847 CA GLU A 113 -12.420 -6.234 4.293 1.00 0.00 C ATOM 1848 C GLU A 113 -13.345 -5.120 3.824 1.00 0.00 C ATOM 1849 O GLU A 113 -13.332 -4.010 4.365 1.00 0.00 O ATOM 1850 CB GLU A 113 -11.273 -6.440 3.296 1.00 0.00 C ATOM 1851 CG GLU A 113 -10.033 -7.061 3.920 1.00 0.00 C ATOM 1852 CD GLU A 113 -9.336 -6.111 4.881 1.00 0.00 C ATOM 1853 OE1 GLU A 113 -9.713 -6.055 6.073 1.00 0.00 O ATOM 1854 OE2 GLU A 113 -8.419 -5.398 4.448 1.00 0.00 O ATOM 0 H GLU A 113 -13.121 -8.119 3.682 1.00 0.00 H new ATOM 0 HA GLU A 113 -11.988 -5.948 5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.619 -7.078 2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.007 -5.479 2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -10.312 -7.971 4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.339 -7.352 3.132 1.00 0.00 H new ATOM 1861 N GLU A 114 -14.153 -5.431 2.816 1.00 0.00 N ATOM 1862 CA GLU A 114 -15.180 -4.508 2.335 1.00 0.00 C ATOM 1863 C GLU A 114 -16.187 -4.234 3.453 1.00 0.00 C ATOM 1864 O GLU A 114 -16.704 -3.125 3.599 1.00 0.00 O ATOM 1865 CB GLU A 114 -15.893 -5.111 1.113 1.00 0.00 C ATOM 1866 CG GLU A 114 -17.011 -4.240 0.541 1.00 0.00 C ATOM 1867 CD GLU A 114 -16.501 -2.944 -0.075 1.00 0.00 C ATOM 1868 OE1 GLU A 114 -16.173 -2.945 -1.282 1.00 0.00 O ATOM 1869 OE2 GLU A 114 -16.442 -1.919 0.636 1.00 0.00 O ATOM 0 H GLU A 114 -14.118 -6.318 2.313 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.713 -3.568 2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -15.156 -5.294 0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -16.310 -6.079 1.392 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -17.554 -4.806 -0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -17.721 -4.004 1.333 1.00 0.00 H new ATOM 1876 N LYS A 115 -16.442 -5.265 4.247 1.00 0.00 N ATOM 1877 CA LYS A 115 -17.396 -5.204 5.344 1.00 0.00 C ATOM 1878 C LYS A 115 -16.729 -5.669 6.639 1.00 0.00 C ATOM 1879 O LYS A 115 -16.705 -6.865 6.940 1.00 0.00 O ATOM 1880 CB LYS A 115 -18.602 -6.095 5.013 1.00 0.00 C ATOM 1881 CG LYS A 115 -19.621 -6.239 6.142 1.00 0.00 C ATOM 1882 CD LYS A 115 -20.589 -7.389 5.870 1.00 0.00 C ATOM 1883 CE LYS A 115 -19.847 -8.715 5.707 1.00 0.00 C ATOM 1884 NZ LYS A 115 -20.763 -9.840 5.384 1.00 0.00 N ATOM 0 H LYS A 115 -15.989 -6.173 4.147 1.00 0.00 H new ATOM 0 HA LYS A 115 -17.736 -4.177 5.480 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -19.107 -5.688 4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.240 -7.086 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -19.101 -6.413 7.084 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -20.179 -5.309 6.253 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -21.302 -7.468 6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -21.163 -7.178 4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -19.103 -8.617 4.916 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -19.307 -8.942 6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -20.274 -10.519 4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -21.051 -10.316 6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -21.605 -9.473 4.897 1.00 0.00 H new ATOM 1898 N ASP A 116 -16.165 -4.727 7.391 1.00 0.00 N ATOM 1899 CA ASP A 116 -15.486 -5.050 8.647 1.00 0.00 C ATOM 1900 C ASP A 116 -16.514 -5.237 9.760 1.00 0.00 C ATOM 1901 O ASP A 116 -16.592 -4.452 10.711 1.00 0.00 O ATOM 1902 CB ASP A 116 -14.458 -3.963 9.015 1.00 0.00 C ATOM 1903 CG ASP A 116 -13.617 -4.332 10.237 1.00 0.00 C ATOM 1904 OD1 ASP A 116 -12.831 -5.299 10.155 1.00 0.00 O ATOM 1905 OD2 ASP A 116 -13.733 -3.651 11.284 1.00 0.00 O ATOM 0 H ASP A 116 -16.164 -3.735 7.155 1.00 0.00 H new ATOM 0 HA ASP A 116 -14.940 -5.984 8.519 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -13.798 -3.790 8.165 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -14.980 -3.026 9.209 1.00 0.00 H new ATOM 1910 N LYS A 117 -17.334 -6.265 9.597 1.00 0.00 N ATOM 1911 CA LYS A 117 -18.352 -6.626 10.573 1.00 0.00 C ATOM 1912 C LYS A 117 -18.873 -8.034 10.280 1.00 0.00 C ATOM 1913 O LYS A 117 -19.510 -8.227 9.226 1.00 0.00 O ATOM 1914 CB LYS A 117 -19.512 -5.614 10.565 1.00 0.00 C ATOM 1915 CG LYS A 117 -20.663 -5.945 11.530 1.00 0.00 C ATOM 1916 CD LYS A 117 -20.337 -5.650 13.002 1.00 0.00 C ATOM 1917 CE LYS A 117 -19.344 -6.637 13.615 1.00 0.00 C ATOM 1918 NZ LYS A 117 -19.801 -8.051 13.496 1.00 0.00 N ATOM 1919 OXT LYS A 117 -18.653 -8.938 11.113 1.00 0.00 O ATOM 0 H LYS A 117 -17.312 -6.875 8.780 1.00 0.00 H new ATOM 0 HA LYS A 117 -17.900 -6.609 11.565 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -19.118 -4.629 10.816 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -19.912 -5.549 9.553 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -21.544 -5.373 11.240 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -20.920 -6.999 11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -19.931 -4.642 13.081 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -21.260 -5.668 13.581 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -18.377 -6.528 13.124 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -19.196 -6.393 14.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -19.519 -8.580 14.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -20.836 -8.074 13.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -19.367 -8.487 12.657 1.00 0.00 H new TER 1933 LYS A 117