USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 836 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 93 GLN : amide:sc= 0 X(o=-1,f=-1) USER MOD Set 1.2: A 95 GLN : amide:sc= -0.998 K(o=-1,f=-4.1!) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00562) USER MOD Set 2.2: A 44 SER OG : rot -110:sc= 0 USER MOD Set 3.1: A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 26 GLN : amide:sc= -0.0448 K(o=-0.045,f=-1.7!) USER MOD Set 4.1: A 16 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 74 MET CE :methyl -153:sc= -0.285 (180deg=-1.49!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0426) USER MOD Single : A 14 CYS SG : rot -114:sc= -4.57! USER MOD Single : A 15 CYS SG : rot 158:sc= -2.88! USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 1.04 K(o=1,f=-0.44) USER MOD Single : A 24 THR OG1 : rot 96:sc= -0.0288 USER MOD Single : A 30 MET CE :methyl -165:sc= -0.0187 (180deg=-0.297) USER MOD Single : A 32 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.9!) USER MOD Single : A 34 CYS SG : rot -25:sc= -1.46 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.486 F(o=-1.3,f=-0.49) USER MOD Single : A 58 GLN : amide:sc= -5.4! C(o=-5.4!,f=-14!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0518 USER MOD Single : A 66 ASN : amide:sc=-0.000743 X(o=-0.00074,f=0) USER MOD Single : A 69 HIS :FLIP no HE2:sc= -0.0124 F(o=-0.68,f=-0.012) USER MOD Single : A 73 GLN :FLIP amide:sc= -2.43 F(o=-3.7!,f=-2.4) USER MOD Single : A 75 CYS SG : rot -53:sc= -0.206 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.998 USER MOD Single : A 88 SER OG : rot 77:sc= 1.16 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.0336 USER MOD Single : A 94 CYS SG : rot 79:sc= 0.242 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.00611 USER MOD Single : A 100 TYR OH : rot -103:sc= 0.756 USER MOD Single : A 104 GLN : amide:sc= -0.25 K(o=-0.25,f=-1.7!) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HD1:sc= -0.566 F(o=-2.3,f=-0.57) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.431 -26.160 -1.155 1.00 0.00 N ATOM 2 CA GLY A 1 -17.880 -25.776 0.174 1.00 0.00 C ATOM 3 C GLY A 1 -17.794 -24.274 0.353 1.00 0.00 C ATOM 4 O GLY A 1 -18.203 -23.740 1.386 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.470 -27.197 -1.228 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.389 -25.770 -1.260 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.819 -25.782 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.507 -26.197 0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.887 -26.210 0.292 1.00 0.00 H new ATOM 10 N SER A 2 -17.259 -23.589 -0.653 1.00 0.00 N ATOM 11 CA SER A 2 -17.120 -22.138 -0.602 1.00 0.00 C ATOM 12 C SER A 2 -18.070 -21.464 -1.588 1.00 0.00 C ATOM 13 O SER A 2 -18.570 -20.369 -1.333 1.00 0.00 O ATOM 14 CB SER A 2 -15.677 -21.732 -0.909 1.00 0.00 C ATOM 15 OG SER A 2 -15.339 -22.029 -2.253 1.00 0.00 O ATOM 0 H SER A 2 -16.915 -24.016 -1.513 1.00 0.00 H new ATOM 0 HA SER A 2 -17.377 -21.809 0.405 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.549 -20.665 -0.726 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.998 -22.255 -0.236 1.00 0.00 H new ATOM 0 HG SER A 2 -14.413 -21.759 -2.425 1.00 0.00 H new ATOM 21 N GLN A 3 -18.315 -22.128 -2.713 1.00 0.00 N ATOM 22 CA GLN A 3 -19.205 -21.594 -3.737 1.00 0.00 C ATOM 23 C GLN A 3 -18.680 -20.266 -4.277 1.00 0.00 C ATOM 24 O GLN A 3 -19.456 -19.403 -4.690 1.00 0.00 O ATOM 25 CB GLN A 3 -20.614 -21.405 -3.171 1.00 0.00 C ATOM 26 CG GLN A 3 -21.705 -21.449 -4.229 1.00 0.00 C ATOM 27 CD GLN A 3 -23.079 -21.700 -3.640 1.00 0.00 C ATOM 28 OE1 GLN A 3 -23.652 -22.777 -3.808 1.00 0.00 O ATOM 29 NE2 GLN A 3 -23.616 -20.704 -2.946 1.00 0.00 N ATOM 0 H GLN A 3 -17.910 -23.036 -2.938 1.00 0.00 H new ATOM 0 HA GLN A 3 -19.243 -22.310 -4.558 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -20.806 -22.181 -2.430 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -20.662 -20.449 -2.651 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -21.715 -20.506 -4.775 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -21.475 -22.233 -4.951 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -23.105 -19.828 -2.832 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -24.539 -20.814 -2.527 1.00 0.00 H new ATOM 38 N ASP A 4 -17.361 -20.110 -4.272 1.00 0.00 N ATOM 39 CA ASP A 4 -16.733 -18.889 -4.762 1.00 0.00 C ATOM 40 C ASP A 4 -15.549 -19.213 -5.668 1.00 0.00 C ATOM 41 O ASP A 4 -15.220 -20.379 -5.881 1.00 0.00 O ATOM 42 CB ASP A 4 -16.271 -18.021 -3.590 1.00 0.00 C ATOM 43 CG ASP A 4 -17.411 -17.248 -2.958 1.00 0.00 C ATOM 44 OD1 ASP A 4 -18.575 -17.675 -3.112 1.00 0.00 O ATOM 45 OD2 ASP A 4 -17.141 -16.217 -2.307 1.00 0.00 O ATOM 0 H ASP A 4 -16.706 -20.815 -3.934 1.00 0.00 H new ATOM 0 HA ASP A 4 -17.473 -18.338 -5.343 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -15.803 -18.653 -2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -15.510 -17.322 -3.937 1.00 0.00 H new ATOM 50 N ARG A 5 -14.914 -18.173 -6.199 1.00 0.00 N ATOM 51 CA ARG A 5 -13.767 -18.349 -7.082 1.00 0.00 C ATOM 52 C ARG A 5 -12.955 -17.061 -7.185 1.00 0.00 C ATOM 53 O ARG A 5 -13.023 -16.349 -8.187 1.00 0.00 O ATOM 54 CB ARG A 5 -14.229 -18.793 -8.471 1.00 0.00 C ATOM 55 CG ARG A 5 -13.333 -19.846 -9.102 1.00 0.00 C ATOM 56 CD ARG A 5 -13.192 -19.632 -10.601 1.00 0.00 C ATOM 57 NE ARG A 5 -12.263 -20.584 -11.205 1.00 0.00 N ATOM 58 CZ ARG A 5 -12.066 -20.697 -12.517 1.00 0.00 C ATOM 59 NH1 ARG A 5 -12.732 -19.921 -13.364 1.00 0.00 N ATOM 60 NH2 ARG A 5 -11.201 -21.587 -12.983 1.00 0.00 N ATOM 0 H ARG A 5 -15.174 -17.201 -6.033 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.128 -19.123 -6.657 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -15.243 -19.186 -8.399 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.270 -17.923 -9.126 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.349 -19.815 -8.635 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.745 -20.837 -8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.169 -19.729 -11.074 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.845 -18.616 -10.791 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.734 -21.198 -10.585 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.398 -19.234 -13.010 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.577 -20.012 -14.368 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.686 -22.185 -12.337 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -11.050 -21.674 -13.988 1.00 0.00 H new ATOM 74 N LYS A 6 -12.186 -16.769 -6.141 1.00 0.00 N ATOM 75 CA LYS A 6 -11.358 -15.568 -6.110 1.00 0.00 C ATOM 76 C LYS A 6 -9.941 -15.874 -6.593 1.00 0.00 C ATOM 77 O LYS A 6 -9.585 -17.035 -6.800 1.00 0.00 O ATOM 78 CB LYS A 6 -11.327 -14.981 -4.697 1.00 0.00 C ATOM 79 CG LYS A 6 -10.804 -15.938 -3.640 1.00 0.00 C ATOM 80 CD LYS A 6 -10.979 -15.368 -2.242 1.00 0.00 C ATOM 81 CE LYS A 6 -11.238 -16.464 -1.223 1.00 0.00 C ATOM 82 NZ LYS A 6 -12.619 -17.013 -1.333 1.00 0.00 N ATOM 0 H LYS A 6 -12.119 -17.348 -5.304 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.795 -14.832 -6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.706 -14.086 -4.701 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.335 -14.669 -4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.331 -16.889 -3.715 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.749 -16.143 -3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.085 -14.812 -1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.809 -14.662 -2.237 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.516 -17.268 -1.364 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.084 -16.069 -0.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.837 -17.577 -0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.299 -16.230 -1.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.687 -17.616 -2.178 1.00 0.00 H new ATOM 96 N ILE A 7 -9.142 -14.829 -6.782 1.00 0.00 N ATOM 97 CA ILE A 7 -7.768 -14.990 -7.255 1.00 0.00 C ATOM 98 C ILE A 7 -6.746 -14.632 -6.180 1.00 0.00 C ATOM 99 O ILE A 7 -5.569 -14.973 -6.294 1.00 0.00 O ATOM 100 CB ILE A 7 -7.495 -14.116 -8.493 1.00 0.00 C ATOM 101 CG1 ILE A 7 -7.797 -12.645 -8.188 1.00 0.00 C ATOM 102 CG2 ILE A 7 -8.316 -14.599 -9.678 1.00 0.00 C ATOM 103 CD1 ILE A 7 -6.581 -11.747 -8.278 1.00 0.00 C ATOM 0 H ILE A 7 -9.420 -13.862 -6.616 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.661 -16.043 -7.514 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.440 -14.202 -8.751 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.556 -12.286 -8.884 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.221 -12.570 -7.187 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.110 -13.970 -10.544 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.051 -15.631 -9.908 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.377 -14.543 -9.433 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.869 -10.721 -8.050 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.829 -12.080 -7.563 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.169 -11.793 -9.286 1.00 0.00 H new ATOM 115 N PHE A 8 -7.196 -13.938 -5.144 1.00 0.00 N ATOM 116 CA PHE A 8 -6.313 -13.528 -4.061 1.00 0.00 C ATOM 117 C PHE A 8 -6.338 -14.545 -2.924 1.00 0.00 C ATOM 118 O PHE A 8 -5.295 -14.912 -2.385 1.00 0.00 O ATOM 119 CB PHE A 8 -6.726 -12.145 -3.548 1.00 0.00 C ATOM 120 CG PHE A 8 -6.331 -11.002 -4.450 1.00 0.00 C ATOM 121 CD1 PHE A 8 -5.267 -11.119 -5.335 1.00 0.00 C ATOM 122 CD2 PHE A 8 -7.029 -9.804 -4.408 1.00 0.00 C ATOM 123 CE1 PHE A 8 -4.912 -10.065 -6.157 1.00 0.00 C ATOM 124 CE2 PHE A 8 -6.677 -8.749 -5.227 1.00 0.00 C ATOM 125 CZ PHE A 8 -5.617 -8.879 -6.103 1.00 0.00 C ATOM 0 H PHE A 8 -8.167 -13.647 -5.031 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.294 -13.476 -4.445 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.808 -12.129 -3.414 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.281 -11.987 -2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.711 -12.043 -5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.859 -9.695 -3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.083 -10.170 -6.841 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.230 -7.823 -5.182 1.00 0.00 H new ATOM 0 HZ PHE A 8 -5.340 -8.055 -6.744 1.00 0.00 H new ATOM 135 N ARG A 9 -7.534 -15.006 -2.571 1.00 0.00 N ATOM 136 CA ARG A 9 -7.694 -15.992 -1.505 1.00 0.00 C ATOM 137 C ARG A 9 -6.930 -15.583 -0.248 1.00 0.00 C ATOM 138 O ARG A 9 -5.749 -15.893 -0.099 1.00 0.00 O ATOM 139 CB ARG A 9 -7.215 -17.365 -1.981 1.00 0.00 C ATOM 140 CG ARG A 9 -7.359 -18.458 -0.934 1.00 0.00 C ATOM 141 CD ARG A 9 -7.502 -19.828 -1.576 1.00 0.00 C ATOM 142 NE ARG A 9 -7.134 -20.904 -0.659 1.00 0.00 N ATOM 143 CZ ARG A 9 -7.213 -22.198 -0.964 1.00 0.00 C ATOM 144 NH1 ARG A 9 -7.645 -22.579 -2.159 1.00 0.00 N ATOM 145 NH2 ARG A 9 -6.858 -23.112 -0.071 1.00 0.00 N ATOM 0 H ARG A 9 -8.408 -14.713 -3.007 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.754 -16.044 -1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.779 -17.649 -2.870 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.168 -17.293 -2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.489 -18.452 -0.278 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.230 -18.254 -0.311 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.532 -19.968 -1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.874 -19.879 -2.465 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.797 -20.649 0.269 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -7.919 -21.880 -2.849 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.704 -23.571 -2.388 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.525 -22.824 0.849 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.918 -24.103 -0.304 1.00 0.00 H new ATOM 159 N GLY A 10 -7.616 -14.889 0.653 1.00 0.00 N ATOM 160 CA GLY A 10 -6.989 -14.452 1.888 1.00 0.00 C ATOM 161 C GLY A 10 -5.933 -13.394 1.657 1.00 0.00 C ATOM 162 O GLY A 10 -4.735 -13.674 1.719 1.00 0.00 O ATOM 0 H GLY A 10 -8.595 -14.621 0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.752 -14.059 2.560 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.537 -15.310 2.386 1.00 0.00 H new ATOM 166 N LEU A 11 -6.378 -12.175 1.387 1.00 0.00 N ATOM 167 CA LEU A 11 -5.464 -11.069 1.141 1.00 0.00 C ATOM 168 C LEU A 11 -5.961 -9.787 1.802 1.00 0.00 C ATOM 169 O LEU A 11 -7.134 -9.669 2.153 1.00 0.00 O ATOM 170 CB LEU A 11 -5.298 -10.855 -0.364 1.00 0.00 C ATOM 171 CG LEU A 11 -3.870 -11.020 -0.889 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.873 -11.677 -2.260 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.169 -9.674 -0.946 1.00 0.00 C ATOM 0 H LEU A 11 -7.366 -11.927 1.333 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.498 -11.321 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.945 -11.558 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.647 -9.853 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.325 -11.667 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.848 -11.785 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.338 -12.660 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.435 -11.058 -2.959 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.154 -9.808 -1.321 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.717 -9.006 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.132 -9.240 0.053 1.00 0.00 H new ATOM 185 N GLU A 12 -5.055 -8.829 1.963 1.00 0.00 N ATOM 186 CA GLU A 12 -5.389 -7.547 2.573 1.00 0.00 C ATOM 187 C GLU A 12 -4.631 -6.423 1.879 1.00 0.00 C ATOM 188 O GLU A 12 -3.414 -6.315 2.005 1.00 0.00 O ATOM 189 CB GLU A 12 -5.050 -7.563 4.065 1.00 0.00 C ATOM 190 CG GLU A 12 -6.181 -8.075 4.940 1.00 0.00 C ATOM 191 CD GLU A 12 -6.428 -7.196 6.151 1.00 0.00 C ATOM 192 OE1 GLU A 12 -5.561 -7.168 7.050 1.00 0.00 O ATOM 193 OE2 GLU A 12 -7.487 -6.536 6.199 1.00 0.00 O ATOM 0 H GLU A 12 -4.079 -8.917 1.678 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.459 -7.376 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.170 -8.186 4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.787 -6.553 4.380 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.094 -8.136 4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.949 -9.087 5.272 1.00 0.00 H new ATOM 200 N ILE A 13 -5.354 -5.595 1.134 1.00 0.00 N ATOM 201 CA ILE A 13 -4.736 -4.491 0.410 1.00 0.00 C ATOM 202 C ILE A 13 -5.261 -3.141 0.883 1.00 0.00 C ATOM 203 O ILE A 13 -6.468 -2.895 0.883 1.00 0.00 O ATOM 204 CB ILE A 13 -4.970 -4.618 -1.107 1.00 0.00 C ATOM 205 CG1 ILE A 13 -4.558 -6.010 -1.591 1.00 0.00 C ATOM 206 CG2 ILE A 13 -4.204 -3.540 -1.860 1.00 0.00 C ATOM 207 CD1 ILE A 13 -5.678 -6.759 -2.276 1.00 0.00 C ATOM 0 H ILE A 13 -6.365 -5.667 1.016 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.667 -4.545 0.617 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.033 -4.481 -1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.719 -5.914 -2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.206 -6.594 -0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.382 -3.647 -2.930 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.542 -2.557 -1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.138 -3.643 -1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.320 -7.738 -2.595 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.509 -6.885 -1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.014 -6.195 -3.146 1.00 0.00 H new ATOM 219 N CYS A 14 -4.342 -2.270 1.283 1.00 0.00 N ATOM 220 CA CYS A 14 -4.702 -0.941 1.756 1.00 0.00 C ATOM 221 C CYS A 14 -4.305 0.124 0.740 1.00 0.00 C ATOM 222 O CYS A 14 -3.165 0.162 0.278 1.00 0.00 O ATOM 223 CB CYS A 14 -4.033 -0.660 3.100 1.00 0.00 C ATOM 224 SG CYS A 14 -2.231 -0.535 3.021 1.00 0.00 S ATOM 0 H CYS A 14 -3.340 -2.462 1.289 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.784 -0.906 1.883 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.433 0.270 3.504 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.300 -1.453 3.799 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.698 -1.514 3.690 1.00 0.00 H new ATOM 230 N CYS A 15 -5.252 0.991 0.404 1.00 0.00 N ATOM 231 CA CYS A 15 -5.004 2.061 -0.550 1.00 0.00 C ATOM 232 C CYS A 15 -4.683 3.357 0.181 1.00 0.00 C ATOM 233 O CYS A 15 -5.525 3.904 0.894 1.00 0.00 O ATOM 234 CB CYS A 15 -6.219 2.256 -1.459 1.00 0.00 C ATOM 235 SG CYS A 15 -6.896 0.718 -2.125 1.00 0.00 S ATOM 0 H CYS A 15 -6.200 0.973 0.780 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.148 1.785 -1.165 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.999 2.772 -0.899 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.939 2.906 -2.288 1.00 0.00 H new ATOM 0 HG CYS A 15 -8.135 0.903 -2.471 1.00 0.00 H new ATOM 241 N TYR A 16 -3.459 3.841 0.010 1.00 0.00 N ATOM 242 CA TYR A 16 -3.032 5.070 0.666 1.00 0.00 C ATOM 243 C TYR A 16 -3.246 6.278 -0.239 1.00 0.00 C ATOM 244 O TYR A 16 -2.540 6.458 -1.232 1.00 0.00 O ATOM 245 CB TYR A 16 -1.558 4.973 1.067 1.00 0.00 C ATOM 246 CG TYR A 16 -1.128 6.029 2.060 1.00 0.00 C ATOM 247 CD1 TYR A 16 -1.553 5.982 3.381 1.00 0.00 C ATOM 248 CD2 TYR A 16 -0.296 7.073 1.674 1.00 0.00 C ATOM 249 CE1 TYR A 16 -1.162 6.945 4.292 1.00 0.00 C ATOM 250 CE2 TYR A 16 0.099 8.041 2.578 1.00 0.00 C ATOM 251 CZ TYR A 16 -0.336 7.973 3.885 1.00 0.00 C ATOM 252 OH TYR A 16 0.056 8.934 4.788 1.00 0.00 O ATOM 0 H TYR A 16 -2.747 3.403 -0.575 1.00 0.00 H new ATOM 0 HA TYR A 16 -3.639 5.201 1.562 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.371 3.988 1.494 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.941 5.055 0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.200 5.179 3.702 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.047 7.129 0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -1.501 6.893 5.316 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.745 8.847 2.262 1.00 0.00 H new ATOM 0 HH TYR A 16 0.637 9.585 4.341 1.00 0.00 H new ATOM 262 N GLY A 17 -4.227 7.104 0.113 1.00 0.00 N ATOM 263 CA GLY A 17 -4.522 8.287 -0.674 1.00 0.00 C ATOM 264 C GLY A 17 -5.656 8.065 -1.657 1.00 0.00 C ATOM 265 O GLY A 17 -6.081 6.930 -1.870 1.00 0.00 O ATOM 0 H GLY A 17 -4.823 6.974 0.930 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.781 9.108 -0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.628 8.589 -1.219 1.00 0.00 H new ATOM 269 N PRO A 18 -6.173 9.141 -2.275 1.00 0.00 N ATOM 270 CA PRO A 18 -7.269 9.047 -3.242 1.00 0.00 C ATOM 271 C PRO A 18 -6.796 8.601 -4.625 1.00 0.00 C ATOM 272 O PRO A 18 -7.600 8.457 -5.546 1.00 0.00 O ATOM 273 CB PRO A 18 -7.797 10.479 -3.296 1.00 0.00 C ATOM 274 CG PRO A 18 -6.604 11.327 -3.018 1.00 0.00 C ATOM 275 CD PRO A 18 -5.730 10.535 -2.078 1.00 0.00 C ATOM 0 HA PRO A 18 -8.013 8.306 -2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.227 10.707 -4.271 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.581 10.641 -2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.071 11.562 -3.939 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.898 12.276 -2.569 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.673 10.656 -2.317 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.862 10.854 -1.044 1.00 0.00 H new ATOM 283 N PHE A 19 -5.489 8.385 -4.764 1.00 0.00 N ATOM 284 CA PHE A 19 -4.910 7.957 -6.034 1.00 0.00 C ATOM 285 C PHE A 19 -5.104 9.022 -7.108 1.00 0.00 C ATOM 286 O PHE A 19 -4.188 9.787 -7.409 1.00 0.00 O ATOM 287 CB PHE A 19 -5.527 6.629 -6.485 1.00 0.00 C ATOM 288 CG PHE A 19 -4.994 5.437 -5.741 1.00 0.00 C ATOM 289 CD1 PHE A 19 -4.942 5.437 -4.356 1.00 0.00 C ATOM 290 CD2 PHE A 19 -4.546 4.317 -6.424 1.00 0.00 C ATOM 291 CE1 PHE A 19 -4.454 4.345 -3.666 1.00 0.00 C ATOM 292 CE2 PHE A 19 -4.056 3.222 -5.739 1.00 0.00 C ATOM 293 CZ PHE A 19 -4.009 3.235 -4.358 1.00 0.00 C ATOM 0 H PHE A 19 -4.811 8.500 -4.011 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.840 7.813 -5.885 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.608 6.676 -6.353 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -5.342 6.495 -7.551 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.288 6.302 -3.810 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.580 4.300 -7.503 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.420 4.359 -2.587 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.710 2.356 -6.283 1.00 0.00 H new ATOM 0 HZ PHE A 19 -3.626 2.380 -3.821 1.00 0.00 H new ATOM 303 N THR A 20 -6.300 9.067 -7.682 1.00 0.00 N ATOM 304 CA THR A 20 -6.612 10.040 -8.723 1.00 0.00 C ATOM 305 C THR A 20 -7.848 10.855 -8.353 1.00 0.00 C ATOM 306 O THR A 20 -7.739 11.996 -7.905 1.00 0.00 O ATOM 307 CB THR A 20 -6.831 9.332 -10.062 1.00 0.00 C ATOM 308 OG1 THR A 20 -7.239 7.991 -9.860 1.00 0.00 O ATOM 309 CG2 THR A 20 -5.595 9.308 -10.935 1.00 0.00 C ATOM 0 H THR A 20 -7.070 8.442 -7.445 1.00 0.00 H new ATOM 0 HA THR A 20 -5.766 10.721 -8.816 1.00 0.00 H new ATOM 0 HB THR A 20 -7.605 9.908 -10.570 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.375 7.556 -10.728 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.819 8.792 -11.869 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.282 10.330 -11.151 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.792 8.785 -10.415 1.00 0.00 H new ATOM 317 N ASN A 21 -9.022 10.262 -8.543 1.00 0.00 N ATOM 318 CA ASN A 21 -10.278 10.934 -8.230 1.00 0.00 C ATOM 319 C ASN A 21 -11.377 9.916 -7.942 1.00 0.00 C ATOM 320 O ASN A 21 -12.551 10.161 -8.217 1.00 0.00 O ATOM 321 CB ASN A 21 -10.699 11.843 -9.385 1.00 0.00 C ATOM 322 CG ASN A 21 -11.537 13.019 -8.920 1.00 0.00 C ATOM 323 OD1 ASN A 21 -11.103 14.169 -8.983 1.00 0.00 O ATOM 324 ND2 ASN A 21 -12.744 12.734 -8.447 1.00 0.00 N ATOM 0 H ASN A 21 -9.130 9.317 -8.912 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.124 11.543 -7.339 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.810 12.213 -9.895 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.265 11.262 -10.113 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.353 13.483 -8.117 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.063 11.766 -8.413 1.00 0.00 H new ATOM 331 N MET A 22 -10.985 8.774 -7.387 1.00 0.00 N ATOM 332 CA MET A 22 -11.935 7.717 -7.061 1.00 0.00 C ATOM 333 C MET A 22 -12.333 7.776 -5.587 1.00 0.00 C ATOM 334 O MET A 22 -11.533 8.166 -4.736 1.00 0.00 O ATOM 335 CB MET A 22 -11.333 6.348 -7.386 1.00 0.00 C ATOM 336 CG MET A 22 -12.316 5.391 -8.041 1.00 0.00 C ATOM 337 SD MET A 22 -11.500 4.159 -9.075 1.00 0.00 S ATOM 338 CE MET A 22 -12.162 4.577 -10.686 1.00 0.00 C ATOM 0 H MET A 22 -10.016 8.557 -7.154 1.00 0.00 H new ATOM 0 HA MET A 22 -12.830 7.867 -7.665 1.00 0.00 H new ATOM 0 HB2 MET A 22 -10.477 6.484 -8.046 1.00 0.00 H new ATOM 0 HB3 MET A 22 -10.958 5.898 -6.467 1.00 0.00 H new ATOM 0 HG2 MET A 22 -12.895 4.885 -7.268 1.00 0.00 H new ATOM 0 HG3 MET A 22 -13.021 5.959 -8.647 1.00 0.00 H new ATOM 0 HE1 MET A 22 -11.750 3.901 -11.435 1.00 0.00 H new ATOM 0 HE2 MET A 22 -13.248 4.482 -10.669 1.00 0.00 H new ATOM 0 HE3 MET A 22 -11.892 5.603 -10.935 1.00 0.00 H new ATOM 348 N PRO A 23 -13.579 7.387 -5.264 1.00 0.00 N ATOM 349 CA PRO A 23 -14.077 7.397 -3.883 1.00 0.00 C ATOM 350 C PRO A 23 -13.210 6.562 -2.943 1.00 0.00 C ATOM 351 O PRO A 23 -13.272 6.724 -1.724 1.00 0.00 O ATOM 352 CB PRO A 23 -15.477 6.785 -3.998 1.00 0.00 C ATOM 353 CG PRO A 23 -15.871 6.989 -5.419 1.00 0.00 C ATOM 354 CD PRO A 23 -14.599 6.907 -6.214 1.00 0.00 C ATOM 0 HA PRO A 23 -14.070 8.402 -3.461 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -15.467 5.726 -3.739 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -16.178 7.272 -3.320 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -16.582 6.228 -5.740 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -16.355 7.956 -5.555 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.395 5.888 -6.544 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -14.642 7.529 -7.108 1.00 0.00 H new ATOM 362 N THR A 24 -12.407 5.664 -3.521 1.00 0.00 N ATOM 363 CA THR A 24 -11.520 4.787 -2.749 1.00 0.00 C ATOM 364 C THR A 24 -12.251 3.527 -2.282 1.00 0.00 C ATOM 365 O THR A 24 -11.619 2.527 -1.934 1.00 0.00 O ATOM 366 CB THR A 24 -10.923 5.524 -1.543 1.00 0.00 C ATOM 367 OG1 THR A 24 -10.786 6.907 -1.816 1.00 0.00 O ATOM 368 CG2 THR A 24 -9.560 5.003 -1.138 1.00 0.00 C ATOM 0 H THR A 24 -12.353 5.524 -4.530 1.00 0.00 H new ATOM 0 HA THR A 24 -10.707 4.489 -3.411 1.00 0.00 H new ATOM 0 HB THR A 24 -11.622 5.349 -0.725 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.565 7.388 -1.466 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.195 5.567 -0.280 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.638 3.949 -0.873 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.865 5.118 -1.970 1.00 0.00 H new ATOM 376 N ASP A 25 -13.582 3.568 -2.293 1.00 0.00 N ATOM 377 CA ASP A 25 -14.383 2.422 -1.884 1.00 0.00 C ATOM 378 C ASP A 25 -14.598 1.486 -3.064 1.00 0.00 C ATOM 379 O ASP A 25 -14.812 0.286 -2.893 1.00 0.00 O ATOM 380 CB ASP A 25 -15.730 2.883 -1.325 1.00 0.00 C ATOM 381 CG ASP A 25 -15.592 3.586 0.011 1.00 0.00 C ATOM 382 OD1 ASP A 25 -15.039 2.975 0.949 1.00 0.00 O ATOM 383 OD2 ASP A 25 -16.039 4.747 0.120 1.00 0.00 O ATOM 0 H ASP A 25 -14.125 4.382 -2.581 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.848 1.886 -1.101 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -16.205 3.556 -2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.388 2.021 -1.213 1.00 0.00 H new ATOM 388 N GLN A 26 -14.527 2.048 -4.265 1.00 0.00 N ATOM 389 CA GLN A 26 -14.699 1.276 -5.484 1.00 0.00 C ATOM 390 C GLN A 26 -13.444 0.460 -5.770 1.00 0.00 C ATOM 391 O GLN A 26 -13.514 -0.630 -6.337 1.00 0.00 O ATOM 392 CB GLN A 26 -15.002 2.212 -6.653 1.00 0.00 C ATOM 393 CG GLN A 26 -16.059 1.679 -7.603 1.00 0.00 C ATOM 394 CD GLN A 26 -16.063 2.402 -8.935 1.00 0.00 C ATOM 395 OE1 GLN A 26 -15.075 3.027 -9.319 1.00 0.00 O ATOM 396 NE2 GLN A 26 -17.181 2.321 -9.649 1.00 0.00 N ATOM 0 H GLN A 26 -14.350 3.041 -4.418 1.00 0.00 H new ATOM 0 HA GLN A 26 -15.537 0.590 -5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -15.331 3.174 -6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -14.083 2.392 -7.210 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -15.888 0.616 -7.771 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -17.041 1.774 -7.139 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.977 1.792 -9.292 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -17.243 2.788 -10.554 1.00 0.00 H new ATOM 405 N LEU A 27 -12.297 0.994 -5.362 1.00 0.00 N ATOM 406 CA LEU A 27 -11.024 0.315 -5.561 1.00 0.00 C ATOM 407 C LEU A 27 -10.909 -0.878 -4.620 1.00 0.00 C ATOM 408 O LEU A 27 -10.607 -1.991 -5.051 1.00 0.00 O ATOM 409 CB LEU A 27 -9.861 1.282 -5.331 1.00 0.00 C ATOM 410 CG LEU A 27 -8.467 0.662 -5.446 1.00 0.00 C ATOM 411 CD1 LEU A 27 -8.245 0.095 -6.842 1.00 0.00 C ATOM 412 CD2 LEU A 27 -7.399 1.691 -5.109 1.00 0.00 C ATOM 0 H LEU A 27 -12.224 1.896 -4.891 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.980 -0.044 -6.589 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.939 2.097 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.965 1.721 -4.339 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.394 -0.157 -4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.248 -0.341 -6.903 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.991 -0.674 -7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.337 0.894 -7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.413 1.234 -5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.472 2.531 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.546 2.047 -4.089 1.00 0.00 H new ATOM 424 N GLU A 28 -11.161 -0.643 -3.335 1.00 0.00 N ATOM 425 CA GLU A 28 -11.094 -1.712 -2.345 1.00 0.00 C ATOM 426 C GLU A 28 -12.104 -2.805 -2.672 1.00 0.00 C ATOM 427 O GLU A 28 -11.906 -3.972 -2.334 1.00 0.00 O ATOM 428 CB GLU A 28 -11.334 -1.170 -0.936 1.00 0.00 C ATOM 429 CG GLU A 28 -12.450 -0.142 -0.853 1.00 0.00 C ATOM 430 CD GLU A 28 -13.513 -0.516 0.162 1.00 0.00 C ATOM 431 OE1 GLU A 28 -13.705 -1.726 0.403 1.00 0.00 O ATOM 432 OE2 GLU A 28 -14.154 0.402 0.716 1.00 0.00 O ATOM 0 H GLU A 28 -11.412 0.271 -2.958 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.092 -2.140 -2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.570 -2.002 -0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.412 -0.721 -0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.027 0.828 -0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.912 -0.033 -1.834 1.00 0.00 H new ATOM 439 N TRP A 29 -13.186 -2.428 -3.345 1.00 0.00 N ATOM 440 CA TRP A 29 -14.207 -3.390 -3.731 1.00 0.00 C ATOM 441 C TRP A 29 -13.613 -4.397 -4.707 1.00 0.00 C ATOM 442 O TRP A 29 -13.754 -5.608 -4.539 1.00 0.00 O ATOM 443 CB TRP A 29 -15.400 -2.667 -4.367 1.00 0.00 C ATOM 444 CG TRP A 29 -16.229 -3.541 -5.262 1.00 0.00 C ATOM 445 CD1 TRP A 29 -16.973 -4.618 -4.885 1.00 0.00 C ATOM 446 CD2 TRP A 29 -16.385 -3.417 -6.680 1.00 0.00 C ATOM 447 NE1 TRP A 29 -17.595 -5.168 -5.980 1.00 0.00 N ATOM 448 CE2 TRP A 29 -17.249 -4.449 -7.094 1.00 0.00 C ATOM 449 CE3 TRP A 29 -15.884 -2.533 -7.639 1.00 0.00 C ATOM 450 CZ2 TRP A 29 -17.620 -4.620 -8.425 1.00 0.00 C ATOM 451 CZ3 TRP A 29 -16.253 -2.704 -8.960 1.00 0.00 C ATOM 452 CH2 TRP A 29 -17.114 -3.740 -9.342 1.00 0.00 C ATOM 0 H TRP A 29 -13.376 -1.468 -3.632 1.00 0.00 H new ATOM 0 HA TRP A 29 -14.559 -3.919 -2.845 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -16.034 -2.267 -3.576 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -15.033 -1.817 -4.942 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -17.061 -4.986 -3.873 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -18.213 -5.979 -5.966 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -15.220 -1.730 -7.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -18.283 -5.419 -8.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -15.871 -2.027 -9.710 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -17.384 -3.847 -10.382 1.00 0.00 H new ATOM 463 N MET A 30 -12.939 -3.873 -5.722 1.00 0.00 N ATOM 464 CA MET A 30 -12.302 -4.702 -6.738 1.00 0.00 C ATOM 465 C MET A 30 -11.416 -5.763 -6.091 1.00 0.00 C ATOM 466 O MET A 30 -11.588 -6.958 -6.332 1.00 0.00 O ATOM 467 CB MET A 30 -11.474 -3.835 -7.686 1.00 0.00 C ATOM 468 CG MET A 30 -12.231 -2.634 -8.230 1.00 0.00 C ATOM 469 SD MET A 30 -11.722 -2.190 -9.901 1.00 0.00 S ATOM 470 CE MET A 30 -10.867 -0.645 -9.596 1.00 0.00 C ATOM 0 H MET A 30 -12.819 -2.870 -5.864 1.00 0.00 H new ATOM 0 HA MET A 30 -13.083 -5.204 -7.309 1.00 0.00 H new ATOM 0 HB2 MET A 30 -10.584 -3.486 -7.162 1.00 0.00 H new ATOM 0 HB3 MET A 30 -11.133 -4.447 -8.521 1.00 0.00 H new ATOM 0 HG2 MET A 30 -13.299 -2.850 -8.225 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.076 -1.782 -7.569 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.727 -0.114 -10.538 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.458 -0.030 -8.917 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.895 -0.850 -9.147 1.00 0.00 H new ATOM 480 N VAL A 31 -10.476 -5.322 -5.257 1.00 0.00 N ATOM 481 CA VAL A 31 -9.581 -6.248 -4.571 1.00 0.00 C ATOM 482 C VAL A 31 -10.386 -7.254 -3.759 1.00 0.00 C ATOM 483 O VAL A 31 -10.113 -8.453 -3.783 1.00 0.00 O ATOM 484 CB VAL A 31 -8.597 -5.517 -3.635 1.00 0.00 C ATOM 485 CG1 VAL A 31 -7.611 -4.680 -4.432 1.00 0.00 C ATOM 486 CG2 VAL A 31 -9.339 -4.650 -2.635 1.00 0.00 C ATOM 0 H VAL A 31 -10.316 -4.338 -5.042 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.003 -6.762 -5.339 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.039 -6.274 -3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.928 -4.174 -3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.043 -5.326 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.154 -3.938 -5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -8.621 -4.146 -1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.932 -3.906 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.997 -5.274 -2.031 1.00 0.00 H new ATOM 496 N GLN A 32 -11.393 -6.749 -3.054 1.00 0.00 N ATOM 497 CA GLN A 32 -12.261 -7.593 -2.242 1.00 0.00 C ATOM 498 C GLN A 32 -12.950 -8.632 -3.119 1.00 0.00 C ATOM 499 O GLN A 32 -13.143 -9.779 -2.714 1.00 0.00 O ATOM 500 CB GLN A 32 -13.305 -6.733 -1.523 1.00 0.00 C ATOM 501 CG GLN A 32 -13.022 -6.543 -0.042 1.00 0.00 C ATOM 502 CD GLN A 32 -13.797 -5.385 0.555 1.00 0.00 C ATOM 503 OE1 GLN A 32 -14.383 -4.579 -0.167 1.00 0.00 O ATOM 504 NE2 GLN A 32 -13.802 -5.296 1.879 1.00 0.00 N ATOM 0 H GLN A 32 -11.628 -5.757 -3.029 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.656 -8.109 -1.496 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.352 -5.756 -2.004 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -14.286 -7.193 -1.641 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.274 -7.459 0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -11.955 -6.374 0.102 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.302 -5.987 2.438 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.306 -4.537 2.337 1.00 0.00 H new ATOM 513 N LEU A 33 -13.305 -8.216 -4.328 1.00 0.00 N ATOM 514 CA LEU A 33 -13.961 -9.094 -5.289 1.00 0.00 C ATOM 515 C LEU A 33 -12.993 -10.156 -5.805 1.00 0.00 C ATOM 516 O LEU A 33 -13.411 -11.196 -6.315 1.00 0.00 O ATOM 517 CB LEU A 33 -14.511 -8.276 -6.459 1.00 0.00 C ATOM 518 CG LEU A 33 -15.400 -9.050 -7.432 1.00 0.00 C ATOM 519 CD1 LEU A 33 -16.577 -9.674 -6.700 1.00 0.00 C ATOM 520 CD2 LEU A 33 -15.887 -8.138 -8.548 1.00 0.00 C ATOM 0 H LEU A 33 -13.148 -7.267 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 33 -14.786 -9.597 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.081 -7.437 -6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -13.672 -7.856 -7.014 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.809 -9.851 -7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.198 -10.221 -7.409 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.209 -10.359 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.169 -8.890 -6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -16.519 -8.705 -9.232 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -16.461 -7.316 -8.121 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -15.031 -7.739 -9.092 1.00 0.00 H new ATOM 532 N CYS A 34 -11.697 -9.881 -5.680 1.00 0.00 N ATOM 533 CA CYS A 34 -10.666 -10.801 -6.146 1.00 0.00 C ATOM 534 C CYS A 34 -10.196 -11.739 -5.034 1.00 0.00 C ATOM 535 O CYS A 34 -9.374 -12.621 -5.275 1.00 0.00 O ATOM 536 CB CYS A 34 -9.475 -10.020 -6.703 1.00 0.00 C ATOM 537 SG CYS A 34 -9.549 -9.735 -8.487 1.00 0.00 S ATOM 0 H CYS A 34 -11.336 -9.025 -5.258 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.104 -11.412 -6.935 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.415 -9.058 -6.194 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -8.558 -10.561 -6.470 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.288 -10.649 -9.042 1.00 0.00 H new ATOM 543 N GLY A 35 -10.717 -11.553 -3.821 1.00 0.00 N ATOM 544 CA GLY A 35 -10.329 -12.411 -2.714 1.00 0.00 C ATOM 545 C GLY A 35 -9.449 -11.709 -1.696 1.00 0.00 C ATOM 546 O GLY A 35 -8.675 -12.354 -0.990 1.00 0.00 O ATOM 0 H GLY A 35 -11.396 -10.829 -3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.226 -12.780 -2.217 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.800 -13.281 -3.104 1.00 0.00 H new ATOM 550 N ALA A 36 -9.565 -10.389 -1.621 1.00 0.00 N ATOM 551 CA ALA A 36 -8.772 -9.607 -0.682 1.00 0.00 C ATOM 552 C ALA A 36 -9.656 -8.913 0.344 1.00 0.00 C ATOM 553 O ALA A 36 -10.881 -9.022 0.305 1.00 0.00 O ATOM 554 CB ALA A 36 -7.929 -8.586 -1.427 1.00 0.00 C ATOM 0 H ALA A 36 -10.200 -9.838 -2.199 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.112 -10.291 -0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.342 -8.009 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.259 -9.100 -2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.581 -7.915 -1.987 1.00 0.00 H new ATOM 560 N SER A 37 -9.020 -8.201 1.264 1.00 0.00 N ATOM 561 CA SER A 37 -9.736 -7.482 2.309 1.00 0.00 C ATOM 562 C SER A 37 -9.229 -6.048 2.418 1.00 0.00 C ATOM 563 O SER A 37 -8.022 -5.807 2.453 1.00 0.00 O ATOM 564 CB SER A 37 -9.578 -8.198 3.652 1.00 0.00 C ATOM 565 OG SER A 37 -10.839 -8.469 4.238 1.00 0.00 O ATOM 0 H SER A 37 -8.005 -8.106 1.308 1.00 0.00 H new ATOM 0 HA SER A 37 -10.793 -7.458 2.045 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.033 -9.131 3.508 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.984 -7.583 4.328 1.00 0.00 H new ATOM 0 HG SER A 37 -10.710 -8.928 5.094 1.00 0.00 H new ATOM 571 N VAL A 38 -10.156 -5.099 2.469 1.00 0.00 N ATOM 572 CA VAL A 38 -9.798 -3.691 2.571 1.00 0.00 C ATOM 573 C VAL A 38 -9.255 -3.366 3.959 1.00 0.00 C ATOM 574 O VAL A 38 -9.949 -3.535 4.962 1.00 0.00 O ATOM 575 CB VAL A 38 -11.006 -2.784 2.271 1.00 0.00 C ATOM 576 CG1 VAL A 38 -12.109 -2.991 3.298 1.00 0.00 C ATOM 577 CG2 VAL A 38 -10.581 -1.324 2.222 1.00 0.00 C ATOM 0 H VAL A 38 -11.160 -5.279 2.441 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.022 -3.501 1.829 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.401 -3.058 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.951 -2.339 3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.437 -4.030 3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.730 -2.752 4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.449 -0.699 2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.154 -1.037 3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.835 -1.188 1.439 1.00 0.00 H new ATOM 587 N VAL A 39 -8.010 -2.903 4.011 1.00 0.00 N ATOM 588 CA VAL A 39 -7.377 -2.562 5.278 1.00 0.00 C ATOM 589 C VAL A 39 -7.550 -1.078 5.590 1.00 0.00 C ATOM 590 O VAL A 39 -7.185 -0.219 4.787 1.00 0.00 O ATOM 591 CB VAL A 39 -5.873 -2.903 5.270 1.00 0.00 C ATOM 592 CG1 VAL A 39 -5.393 -3.264 6.666 1.00 0.00 C ATOM 593 CG2 VAL A 39 -5.574 -4.034 4.294 1.00 0.00 C ATOM 0 H VAL A 39 -7.421 -2.756 3.191 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.868 -3.156 6.049 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.332 -2.016 4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.329 -3.501 6.635 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.558 -2.421 7.337 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.947 -4.130 7.029 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.507 -4.254 4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.132 -4.924 4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.869 -3.734 3.288 1.00 0.00 H new ATOM 603 N LYS A 40 -8.116 -0.784 6.756 1.00 0.00 N ATOM 604 CA LYS A 40 -8.344 0.597 7.173 1.00 0.00 C ATOM 605 C LYS A 40 -7.050 1.402 7.155 1.00 0.00 C ATOM 606 O LYS A 40 -7.015 2.529 6.664 1.00 0.00 O ATOM 607 CB LYS A 40 -8.962 0.633 8.573 1.00 0.00 C ATOM 608 CG LYS A 40 -10.453 0.333 8.587 1.00 0.00 C ATOM 609 CD LYS A 40 -10.786 -0.805 9.540 1.00 0.00 C ATOM 610 CE LYS A 40 -10.908 -0.313 10.974 1.00 0.00 C ATOM 611 NZ LYS A 40 -9.669 -0.575 11.757 1.00 0.00 N ATOM 0 H LYS A 40 -8.426 -1.484 7.430 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.036 1.050 6.463 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.448 -0.090 9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.794 1.617 9.011 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.002 1.227 8.881 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.782 0.074 7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.721 -1.275 9.235 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.011 -1.569 9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.119 0.756 10.974 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.753 -0.805 11.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.804 -0.256 12.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.463 -1.594 11.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.873 -0.058 11.331 1.00 0.00 H new ATOM 625 N GLU A 41 -5.991 0.815 7.695 1.00 0.00 N ATOM 626 CA GLU A 41 -4.692 1.477 7.744 1.00 0.00 C ATOM 627 C GLU A 41 -3.558 0.465 7.613 1.00 0.00 C ATOM 628 O GLU A 41 -3.796 -0.734 7.470 1.00 0.00 O ATOM 629 CB GLU A 41 -4.544 2.258 9.051 1.00 0.00 C ATOM 630 CG GLU A 41 -5.235 3.611 9.034 1.00 0.00 C ATOM 631 CD GLU A 41 -4.596 4.604 9.983 1.00 0.00 C ATOM 632 OE1 GLU A 41 -4.801 4.471 11.208 1.00 0.00 O ATOM 633 OE2 GLU A 41 -3.892 5.517 9.503 1.00 0.00 O ATOM 0 H GLU A 41 -6.004 -0.119 8.106 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.634 2.170 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.951 1.662 9.868 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.484 2.404 9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.211 4.014 8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.284 3.482 9.301 1.00 0.00 H new ATOM 640 N LEU A 42 -2.325 0.956 7.661 1.00 0.00 N ATOM 641 CA LEU A 42 -1.154 0.095 7.547 1.00 0.00 C ATOM 642 C LEU A 42 -1.035 -0.822 8.760 1.00 0.00 C ATOM 643 O LEU A 42 -0.762 -2.013 8.625 1.00 0.00 O ATOM 644 CB LEU A 42 0.114 0.940 7.404 1.00 0.00 C ATOM 645 CG LEU A 42 0.045 2.037 6.340 1.00 0.00 C ATOM 646 CD1 LEU A 42 1.272 2.932 6.414 1.00 0.00 C ATOM 647 CD2 LEU A 42 -0.087 1.425 4.953 1.00 0.00 C ATOM 0 H LEU A 42 -2.110 1.946 7.778 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.272 -0.523 6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.335 1.402 8.366 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.948 0.279 7.169 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.837 2.648 6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.204 3.706 5.649 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.324 3.398 7.398 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.169 2.335 6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.135 2.219 4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.776 0.790 4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.997 0.827 4.904 1.00 0.00 H new ATOM 659 N SER A 43 -1.240 -0.259 9.946 1.00 0.00 N ATOM 660 CA SER A 43 -1.154 -1.027 11.183 1.00 0.00 C ATOM 661 C SER A 43 -2.318 -2.009 11.308 1.00 0.00 C ATOM 662 O SER A 43 -2.261 -2.951 12.098 1.00 0.00 O ATOM 663 CB SER A 43 -1.133 -0.086 12.389 1.00 0.00 C ATOM 664 OG SER A 43 -0.092 -0.430 13.287 1.00 0.00 O ATOM 0 H SER A 43 -1.467 0.727 10.077 1.00 0.00 H new ATOM 0 HA SER A 43 -0.227 -1.600 11.158 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.000 0.941 12.050 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.092 -0.130 12.905 1.00 0.00 H new ATOM 0 HG SER A 43 -0.099 0.187 14.048 1.00 0.00 H new ATOM 670 N SER A 44 -3.373 -1.784 10.530 1.00 0.00 N ATOM 671 CA SER A 44 -4.547 -2.652 10.564 1.00 0.00 C ATOM 672 C SER A 44 -4.217 -4.058 10.064 1.00 0.00 C ATOM 673 O SER A 44 -4.969 -5.001 10.307 1.00 0.00 O ATOM 674 CB SER A 44 -5.673 -2.051 9.722 1.00 0.00 C ATOM 675 OG SER A 44 -6.231 -0.911 10.355 1.00 0.00 O ATOM 0 H SER A 44 -3.440 -1.010 9.869 1.00 0.00 H new ATOM 0 HA SER A 44 -4.873 -2.730 11.601 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.289 -1.774 8.740 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.450 -2.798 9.561 1.00 0.00 H new ATOM 0 HG SER A 44 -7.137 -1.120 10.665 1.00 0.00 H new ATOM 681 N PHE A 45 -3.093 -4.195 9.363 1.00 0.00 N ATOM 682 CA PHE A 45 -2.675 -5.492 8.833 1.00 0.00 C ATOM 683 C PHE A 45 -2.679 -6.558 9.925 1.00 0.00 C ATOM 684 O PHE A 45 -1.884 -6.502 10.863 1.00 0.00 O ATOM 685 CB PHE A 45 -1.280 -5.391 8.214 1.00 0.00 C ATOM 686 CG PHE A 45 -1.269 -4.774 6.845 1.00 0.00 C ATOM 687 CD1 PHE A 45 -2.142 -5.213 5.861 1.00 0.00 C ATOM 688 CD2 PHE A 45 -0.381 -3.754 6.540 1.00 0.00 C ATOM 689 CE1 PHE A 45 -2.130 -4.645 4.601 1.00 0.00 C ATOM 690 CE2 PHE A 45 -0.366 -3.183 5.283 1.00 0.00 C ATOM 691 CZ PHE A 45 -1.241 -3.628 4.312 1.00 0.00 C ATOM 0 H PHE A 45 -2.457 -3.427 9.149 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.389 -5.783 8.062 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -0.642 -4.802 8.873 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.845 -6.389 8.156 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.839 -6.008 6.082 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.307 -3.402 7.294 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.815 -4.996 3.843 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.330 -2.388 5.059 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.230 -3.182 3.329 1.00 0.00 H new ATOM 701 N THR A 46 -3.579 -7.528 9.796 1.00 0.00 N ATOM 702 CA THR A 46 -3.686 -8.606 10.772 1.00 0.00 C ATOM 703 C THR A 46 -2.911 -9.836 10.311 1.00 0.00 C ATOM 704 O THR A 46 -2.344 -9.852 9.219 1.00 0.00 O ATOM 705 CB THR A 46 -5.154 -8.970 11.002 1.00 0.00 C ATOM 706 OG1 THR A 46 -5.772 -9.355 9.787 1.00 0.00 O ATOM 707 CG2 THR A 46 -5.966 -7.836 11.590 1.00 0.00 C ATOM 0 H THR A 46 -4.244 -7.589 9.025 1.00 0.00 H new ATOM 0 HA THR A 46 -3.254 -8.257 11.710 1.00 0.00 H new ATOM 0 HB THR A 46 -5.139 -9.794 11.716 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.709 -9.585 9.956 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.997 -8.160 11.728 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.544 -7.548 12.553 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.942 -6.982 10.913 1.00 0.00 H new ATOM 715 N LEU A 47 -2.894 -10.867 11.151 1.00 0.00 N ATOM 716 CA LEU A 47 -2.189 -12.103 10.830 1.00 0.00 C ATOM 717 C LEU A 47 -3.130 -13.301 10.909 1.00 0.00 C ATOM 718 O LEU A 47 -4.339 -13.143 11.084 1.00 0.00 O ATOM 719 CB LEU A 47 -1.007 -12.302 11.782 1.00 0.00 C ATOM 720 CG LEU A 47 0.288 -12.773 11.118 1.00 0.00 C ATOM 721 CD1 LEU A 47 1.159 -11.583 10.744 1.00 0.00 C ATOM 722 CD2 LEU A 47 1.043 -13.723 12.034 1.00 0.00 C ATOM 0 H LEU A 47 -3.360 -10.871 12.058 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.814 -12.025 9.809 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.812 -11.361 12.296 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.292 -13.028 12.543 1.00 0.00 H new ATOM 0 HG LEU A 47 0.031 -13.310 10.205 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.076 -11.937 10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.618 -10.941 10.049 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.408 -11.017 11.642 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.961 -14.047 11.545 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.289 -13.212 12.965 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.421 -14.591 12.250 1.00 0.00 H new ATOM 734 N GLY A 48 -2.569 -14.499 10.781 1.00 0.00 N ATOM 735 CA GLY A 48 -3.373 -15.704 10.841 1.00 0.00 C ATOM 736 C GLY A 48 -2.744 -16.860 10.086 1.00 0.00 C ATOM 737 O GLY A 48 -1.609 -17.246 10.363 1.00 0.00 O ATOM 0 H GLY A 48 -1.572 -14.656 10.637 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.516 -15.990 11.883 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.361 -15.499 10.428 1.00 0.00 H new ATOM 741 N THR A 49 -3.485 -17.412 9.130 1.00 0.00 N ATOM 742 CA THR A 49 -2.994 -18.531 8.334 1.00 0.00 C ATOM 743 C THR A 49 -3.086 -18.218 6.844 1.00 0.00 C ATOM 744 O THR A 49 -2.105 -18.349 6.110 1.00 0.00 O ATOM 745 CB THR A 49 -3.789 -19.798 8.651 1.00 0.00 C ATOM 746 OG1 THR A 49 -5.131 -19.671 8.214 1.00 0.00 O ATOM 747 CG2 THR A 49 -3.817 -20.134 10.126 1.00 0.00 C ATOM 0 H THR A 49 -4.426 -17.103 8.888 1.00 0.00 H new ATOM 0 HA THR A 49 -1.947 -18.695 8.589 1.00 0.00 H new ATOM 0 HB THR A 49 -3.275 -20.601 8.122 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.623 -20.492 8.424 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.397 -21.044 10.281 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.799 -20.288 10.484 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.275 -19.313 10.678 1.00 0.00 H new ATOM 755 N GLY A 50 -4.270 -17.806 6.402 1.00 0.00 N ATOM 756 CA GLY A 50 -4.468 -17.482 5.001 1.00 0.00 C ATOM 757 C GLY A 50 -4.743 -16.008 4.780 1.00 0.00 C ATOM 758 O GLY A 50 -5.873 -15.615 4.492 1.00 0.00 O ATOM 0 H GLY A 50 -5.096 -17.691 6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.582 -17.772 4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.301 -18.066 4.610 1.00 0.00 H new ATOM 762 N VAL A 51 -3.704 -15.195 4.916 1.00 0.00 N ATOM 763 CA VAL A 51 -3.829 -13.754 4.730 1.00 0.00 C ATOM 764 C VAL A 51 -2.494 -13.139 4.321 1.00 0.00 C ATOM 765 O VAL A 51 -1.444 -13.499 4.850 1.00 0.00 O ATOM 766 CB VAL A 51 -4.326 -13.062 6.015 1.00 0.00 C ATOM 767 CG1 VAL A 51 -4.605 -11.588 5.755 1.00 0.00 C ATOM 768 CG2 VAL A 51 -5.567 -13.759 6.552 1.00 0.00 C ATOM 0 H VAL A 51 -2.763 -15.509 5.155 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.560 -13.598 3.937 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.542 -13.133 6.769 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.955 -11.116 6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.690 -11.098 5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.370 -11.493 4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.903 -13.256 7.459 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.358 -13.722 5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.331 -14.798 6.780 1.00 0.00 H new ATOM 778 N HIS A 52 -2.544 -12.208 3.373 1.00 0.00 N ATOM 779 CA HIS A 52 -1.338 -11.540 2.892 1.00 0.00 C ATOM 780 C HIS A 52 -1.534 -10.024 2.849 1.00 0.00 C ATOM 781 O HIS A 52 -2.422 -9.527 2.154 1.00 0.00 O ATOM 782 CB HIS A 52 -0.967 -12.057 1.501 1.00 0.00 C ATOM 783 CG HIS A 52 0.502 -12.000 1.215 1.00 0.00 C ATOM 784 ND1 HIS A 52 1.568 -12.039 2.048 1.00 0.00 N flip ATOM 785 CD2 HIS A 52 1.017 -11.887 -0.059 1.00 0.00 C flip ATOM 786 CE1 HIS A 52 2.696 -11.950 1.269 1.00 0.00 C flip ATOM 787 NE2 HIS A 52 2.336 -11.860 0.003 1.00 0.00 N flip ATOM 0 H HIS A 52 -3.405 -11.899 2.923 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.527 -11.763 3.585 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.309 -13.087 1.402 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.498 -11.471 0.751 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.433 -11.830 -0.966 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.713 -11.953 1.634 1.00 0.00 H new ATOM 0 HE2 HIS A 52 2.969 -11.783 -0.793 1.00 0.00 H new ATOM 796 N PRO A 53 -0.710 -9.264 3.594 1.00 0.00 N ATOM 797 CA PRO A 53 -0.806 -7.803 3.634 1.00 0.00 C ATOM 798 C PRO A 53 -0.175 -7.141 2.412 1.00 0.00 C ATOM 799 O PRO A 53 0.939 -7.479 2.014 1.00 0.00 O ATOM 800 CB PRO A 53 -0.027 -7.444 4.897 1.00 0.00 C ATOM 801 CG PRO A 53 1.003 -8.513 5.016 1.00 0.00 C ATOM 802 CD PRO A 53 0.377 -9.766 4.459 1.00 0.00 C ATOM 0 HA PRO A 53 -1.840 -7.459 3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.431 -6.459 4.814 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.677 -7.420 5.771 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.904 -8.249 4.462 1.00 0.00 H new ATOM 0 HG3 PRO A 53 1.298 -8.655 6.056 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.098 -10.356 3.893 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -0.007 -10.408 5.252 1.00 0.00 H new ATOM 810 N ILE A 54 -0.897 -6.190 1.824 1.00 0.00 N ATOM 811 CA ILE A 54 -0.415 -5.471 0.650 1.00 0.00 C ATOM 812 C ILE A 54 -0.767 -3.989 0.736 1.00 0.00 C ATOM 813 O ILE A 54 -1.810 -3.621 1.275 1.00 0.00 O ATOM 814 CB ILE A 54 -1.009 -6.040 -0.655 1.00 0.00 C ATOM 815 CG1 ILE A 54 -1.054 -7.569 -0.611 1.00 0.00 C ATOM 816 CG2 ILE A 54 -0.204 -5.564 -1.854 1.00 0.00 C ATOM 817 CD1 ILE A 54 0.311 -8.216 -0.542 1.00 0.00 C ATOM 0 H ILE A 54 -1.821 -5.900 2.144 1.00 0.00 H new ATOM 0 HA ILE A 54 0.668 -5.596 0.633 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.031 -5.674 -0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.639 -7.882 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.575 -7.934 -1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.635 -5.974 -2.767 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.227 -4.475 -1.898 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.828 -5.902 -1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.199 -9.300 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.892 -7.934 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.827 -7.881 0.358 1.00 0.00 H new ATOM 829 N VAL A 55 0.103 -3.144 0.196 1.00 0.00 N ATOM 830 CA VAL A 55 -0.122 -1.704 0.207 1.00 0.00 C ATOM 831 C VAL A 55 -0.068 -1.139 -1.208 1.00 0.00 C ATOM 832 O VAL A 55 0.786 -1.525 -2.003 1.00 0.00 O ATOM 833 CB VAL A 55 0.920 -0.976 1.079 1.00 0.00 C ATOM 834 CG1 VAL A 55 0.579 0.501 1.199 1.00 0.00 C ATOM 835 CG2 VAL A 55 1.014 -1.623 2.453 1.00 0.00 C ATOM 0 H VAL A 55 0.971 -3.432 -0.255 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.113 -1.538 0.630 1.00 0.00 H new ATOM 0 HB VAL A 55 1.893 -1.062 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.326 0.998 1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.570 0.954 0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.404 0.611 1.657 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.755 -1.095 3.054 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.043 -1.572 2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.311 -2.666 2.344 1.00 0.00 H new ATOM 845 N VAL A 56 -0.984 -0.227 -1.521 1.00 0.00 N ATOM 846 CA VAL A 56 -1.022 0.375 -2.849 1.00 0.00 C ATOM 847 C VAL A 56 -0.942 1.897 -2.773 1.00 0.00 C ATOM 848 O VAL A 56 -1.237 2.495 -1.738 1.00 0.00 O ATOM 849 CB VAL A 56 -2.296 -0.023 -3.612 1.00 0.00 C ATOM 850 CG1 VAL A 56 -2.239 0.468 -5.050 1.00 0.00 C ATOM 851 CG2 VAL A 56 -2.505 -1.527 -3.567 1.00 0.00 C ATOM 0 H VAL A 56 -1.703 0.108 -0.880 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.152 -0.003 -3.387 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.146 0.453 -3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.151 0.175 -5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.148 1.554 -5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.377 0.027 -5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.412 -1.785 -4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.651 -2.027 -4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.602 -1.850 -2.530 1.00 0.00 H new ATOM 861 N VAL A 57 -0.537 2.515 -3.879 1.00 0.00 N ATOM 862 CA VAL A 57 -0.407 3.967 -3.949 1.00 0.00 C ATOM 863 C VAL A 57 -0.591 4.457 -5.385 1.00 0.00 C ATOM 864 O VAL A 57 -0.767 3.660 -6.304 1.00 0.00 O ATOM 865 CB VAL A 57 0.969 4.443 -3.430 1.00 0.00 C ATOM 866 CG1 VAL A 57 0.866 5.843 -2.842 1.00 0.00 C ATOM 867 CG2 VAL A 57 1.531 3.472 -2.400 1.00 0.00 C ATOM 0 H VAL A 57 -0.292 2.030 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.186 4.386 -3.313 1.00 0.00 H new ATOM 0 HB VAL A 57 1.655 4.473 -4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.845 6.160 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.520 6.535 -3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.159 5.838 -2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.499 3.831 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.846 3.400 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.651 2.489 -2.855 1.00 0.00 H new ATOM 877 N GLN A 58 -0.544 5.772 -5.567 1.00 0.00 N ATOM 878 CA GLN A 58 -0.699 6.375 -6.887 1.00 0.00 C ATOM 879 C GLN A 58 -0.582 7.896 -6.801 1.00 0.00 C ATOM 880 O GLN A 58 -1.586 8.596 -6.663 1.00 0.00 O ATOM 881 CB GLN A 58 -2.048 5.992 -7.499 1.00 0.00 C ATOM 882 CG GLN A 58 -2.070 6.073 -9.017 1.00 0.00 C ATOM 883 CD GLN A 58 -2.659 7.374 -9.525 1.00 0.00 C ATOM 884 OE1 GLN A 58 -3.748 7.777 -9.115 1.00 0.00 O ATOM 885 NE2 GLN A 58 -1.941 8.039 -10.422 1.00 0.00 N ATOM 0 H GLN A 58 -0.399 6.444 -4.814 1.00 0.00 H new ATOM 0 HA GLN A 58 0.098 5.996 -7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.302 4.977 -7.194 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.820 6.648 -7.097 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.054 5.966 -9.397 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.648 5.238 -9.413 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.043 7.668 -10.734 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.287 8.921 -10.800 1.00 0.00 H new ATOM 894 N PRO A 59 0.650 8.429 -6.877 1.00 0.00 N ATOM 895 CA PRO A 59 0.889 9.875 -6.805 1.00 0.00 C ATOM 896 C PRO A 59 0.258 10.625 -7.972 1.00 0.00 C ATOM 897 O PRO A 59 0.627 10.419 -9.129 1.00 0.00 O ATOM 898 CB PRO A 59 2.417 9.995 -6.852 1.00 0.00 C ATOM 899 CG PRO A 59 2.886 8.722 -7.467 1.00 0.00 C ATOM 900 CD PRO A 59 1.902 7.670 -7.040 1.00 0.00 C ATOM 0 HA PRO A 59 0.445 10.314 -5.911 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.727 10.857 -7.443 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.833 10.127 -5.853 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.923 8.804 -8.553 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.893 8.474 -7.131 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.802 6.884 -7.789 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.205 7.188 -6.110 1.00 0.00 H new ATOM 908 N ASP A 60 -0.693 11.499 -7.660 1.00 0.00 N ATOM 909 CA ASP A 60 -1.377 12.284 -8.682 1.00 0.00 C ATOM 910 C ASP A 60 -2.399 13.224 -8.052 1.00 0.00 C ATOM 911 O ASP A 60 -2.562 14.364 -8.489 1.00 0.00 O ATOM 912 CB ASP A 60 -2.068 11.361 -9.688 1.00 0.00 C ATOM 913 CG ASP A 60 -1.941 11.862 -11.114 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.797 12.078 -11.568 1.00 0.00 O ATOM 915 OD2 ASP A 60 -2.985 12.038 -11.776 1.00 0.00 O ATOM 0 H ASP A 60 -1.008 11.682 -6.707 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.631 12.884 -9.203 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.637 10.363 -9.617 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.123 11.272 -9.430 1.00 0.00 H new ATOM 920 N ALA A 61 -3.084 12.738 -7.024 1.00 0.00 N ATOM 921 CA ALA A 61 -4.093 13.533 -6.333 1.00 0.00 C ATOM 922 C ALA A 61 -3.715 13.752 -4.872 1.00 0.00 C ATOM 923 O ALA A 61 -4.582 13.837 -4.002 1.00 0.00 O ATOM 924 CB ALA A 61 -5.453 12.860 -6.432 1.00 0.00 C ATOM 0 H ALA A 61 -2.960 11.797 -6.650 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.145 14.508 -6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.197 13.464 -5.912 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.735 12.761 -7.480 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.404 11.872 -5.975 1.00 0.00 H new ATOM 930 N TRP A 62 -2.415 13.843 -4.609 1.00 0.00 N ATOM 931 CA TRP A 62 -1.925 14.054 -3.251 1.00 0.00 C ATOM 932 C TRP A 62 -2.132 15.502 -2.818 1.00 0.00 C ATOM 933 O TRP A 62 -2.370 15.780 -1.642 1.00 0.00 O ATOM 934 CB TRP A 62 -0.442 13.682 -3.158 1.00 0.00 C ATOM 935 CG TRP A 62 -0.195 12.430 -2.373 1.00 0.00 C ATOM 936 CD1 TRP A 62 -0.881 11.255 -2.469 1.00 0.00 C ATOM 937 CD2 TRP A 62 0.809 12.229 -1.372 1.00 0.00 C ATOM 938 NE1 TRP A 62 -0.367 10.334 -1.588 1.00 0.00 N ATOM 939 CE2 TRP A 62 0.672 10.909 -0.903 1.00 0.00 C ATOM 940 CE3 TRP A 62 1.812 13.037 -0.826 1.00 0.00 C ATOM 941 CZ2 TRP A 62 1.498 10.380 0.084 1.00 0.00 C ATOM 942 CZ3 TRP A 62 2.632 12.510 0.154 1.00 0.00 C ATOM 943 CH2 TRP A 62 2.471 11.191 0.600 1.00 0.00 C ATOM 0 H TRP A 62 -1.683 13.774 -5.316 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.494 13.411 -2.580 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -0.042 13.557 -4.164 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.104 14.505 -2.698 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -1.708 11.075 -3.140 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.703 9.379 -1.464 1.00 0.00 H new ATOM 0 HE3 TRP A 62 1.943 14.054 -1.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 1.375 9.365 0.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.410 13.125 0.583 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.128 10.807 1.366 1.00 0.00 H new ATOM 954 N THR A 63 -2.043 16.420 -3.776 1.00 0.00 N ATOM 955 CA THR A 63 -2.223 17.842 -3.500 1.00 0.00 C ATOM 956 C THR A 63 -1.069 18.388 -2.666 1.00 0.00 C ATOM 957 O THR A 63 -0.277 19.203 -3.139 1.00 0.00 O ATOM 958 CB THR A 63 -3.551 18.086 -2.780 1.00 0.00 C ATOM 959 OG1 THR A 63 -4.547 17.194 -3.250 1.00 0.00 O ATOM 960 CG2 THR A 63 -4.078 19.494 -2.956 1.00 0.00 C ATOM 0 H THR A 63 -1.847 16.204 -4.753 1.00 0.00 H new ATOM 0 HA THR A 63 -2.237 18.368 -4.454 1.00 0.00 H new ATOM 0 HB THR A 63 -3.340 17.923 -1.723 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.388 17.364 -2.777 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.022 19.599 -2.420 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.354 20.206 -2.559 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.238 19.693 -4.016 1.00 0.00 H new ATOM 968 N GLU A 64 -0.985 17.935 -1.424 1.00 0.00 N ATOM 969 CA GLU A 64 0.069 18.374 -0.517 1.00 0.00 C ATOM 970 C GLU A 64 1.324 17.526 -0.687 1.00 0.00 C ATOM 971 O GLU A 64 1.262 16.298 -0.675 1.00 0.00 O ATOM 972 CB GLU A 64 -0.416 18.303 0.932 1.00 0.00 C ATOM 973 CG GLU A 64 -1.271 19.489 1.347 1.00 0.00 C ATOM 974 CD GLU A 64 -0.467 20.578 2.028 1.00 0.00 C ATOM 975 OE1 GLU A 64 0.333 21.244 1.339 1.00 0.00 O ATOM 976 OE2 GLU A 64 -0.636 20.765 3.251 1.00 0.00 O ATOM 0 H GLU A 64 -1.635 17.262 -1.019 1.00 0.00 H new ATOM 0 HA GLU A 64 0.316 19.407 -0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.990 17.386 1.070 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.448 18.240 1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.763 19.903 0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.057 19.147 2.021 1.00 0.00 H new ATOM 983 N ASP A 65 2.464 18.192 -0.847 1.00 0.00 N ATOM 984 CA ASP A 65 3.736 17.499 -1.019 1.00 0.00 C ATOM 985 C ASP A 65 4.523 17.473 0.289 1.00 0.00 C ATOM 986 O ASP A 65 5.463 18.244 0.474 1.00 0.00 O ATOM 987 CB ASP A 65 4.564 18.174 -2.115 1.00 0.00 C ATOM 988 CG ASP A 65 4.388 17.508 -3.465 1.00 0.00 C ATOM 989 OD1 ASP A 65 5.140 16.557 -3.761 1.00 0.00 O ATOM 990 OD2 ASP A 65 3.497 17.940 -4.228 1.00 0.00 O ATOM 0 H ASP A 65 2.533 19.210 -0.861 1.00 0.00 H new ATOM 0 HA ASP A 65 3.525 16.471 -1.315 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.276 19.223 -2.190 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.618 18.152 -1.836 1.00 0.00 H new ATOM 995 N ASN A 66 4.129 16.580 1.191 1.00 0.00 N ATOM 996 CA ASN A 66 4.796 16.454 2.481 1.00 0.00 C ATOM 997 C ASN A 66 6.063 15.612 2.358 1.00 0.00 C ATOM 998 O ASN A 66 7.097 15.937 2.943 1.00 0.00 O ATOM 999 CB ASN A 66 3.850 15.827 3.508 1.00 0.00 C ATOM 1000 CG ASN A 66 3.821 16.596 4.813 1.00 0.00 C ATOM 1001 OD1 ASN A 66 4.249 16.094 5.853 1.00 0.00 O ATOM 1002 ND2 ASN A 66 3.315 17.822 4.767 1.00 0.00 N ATOM 0 H ASN A 66 3.352 15.934 1.052 1.00 0.00 H new ATOM 0 HA ASN A 66 5.076 17.452 2.817 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.843 15.785 3.092 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.158 14.800 3.702 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.270 18.387 5.615 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.971 18.199 3.884 1.00 0.00 H new ATOM 1009 N GLY A 67 5.975 14.529 1.593 1.00 0.00 N ATOM 1010 CA GLY A 67 7.118 13.657 1.405 1.00 0.00 C ATOM 1011 C GLY A 67 6.710 12.222 1.136 1.00 0.00 C ATOM 1012 O GLY A 67 6.153 11.555 2.008 1.00 0.00 O ATOM 0 H GLY A 67 5.131 14.240 1.099 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.719 14.024 0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.749 13.692 2.293 1.00 0.00 H new ATOM 1016 N PHE A 68 6.984 11.747 -0.074 1.00 0.00 N ATOM 1017 CA PHE A 68 6.637 10.382 -0.454 1.00 0.00 C ATOM 1018 C PHE A 68 7.845 9.449 -0.368 1.00 0.00 C ATOM 1019 O PHE A 68 7.771 8.290 -0.778 1.00 0.00 O ATOM 1020 CB PHE A 68 6.060 10.354 -1.871 1.00 0.00 C ATOM 1021 CG PHE A 68 5.302 9.097 -2.177 1.00 0.00 C ATOM 1022 CD1 PHE A 68 3.977 8.961 -1.796 1.00 0.00 C ATOM 1023 CD2 PHE A 68 5.916 8.045 -2.838 1.00 0.00 C ATOM 1024 CE1 PHE A 68 3.278 7.800 -2.066 1.00 0.00 C ATOM 1025 CE2 PHE A 68 5.223 6.882 -3.113 1.00 0.00 C ATOM 1026 CZ PHE A 68 3.903 6.760 -2.726 1.00 0.00 C ATOM 0 H PHE A 68 7.445 12.286 -0.808 1.00 0.00 H new ATOM 0 HA PHE A 68 5.885 10.027 0.250 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.399 11.210 -2.004 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.873 10.464 -2.589 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.484 9.773 -1.281 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.948 8.135 -3.142 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.246 7.706 -1.762 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.713 6.070 -3.630 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.359 5.851 -2.939 1.00 0.00 H new ATOM 1036 N HIS A 69 8.956 9.954 0.163 1.00 0.00 N ATOM 1037 CA HIS A 69 10.168 9.155 0.293 1.00 0.00 C ATOM 1038 C HIS A 69 10.224 8.459 1.651 1.00 0.00 C ATOM 1039 O HIS A 69 11.187 8.616 2.402 1.00 0.00 O ATOM 1040 CB HIS A 69 11.406 10.036 0.105 1.00 0.00 C ATOM 1041 CG HIS A 69 11.740 10.302 -1.330 1.00 0.00 C ATOM 1042 ND1 HIS A 69 10.991 10.818 -2.333 1.00 0.00 N flip ATOM 1043 CD2 HIS A 69 12.977 10.033 -1.877 1.00 0.00 C flip ATOM 1044 CE1 HIS A 69 11.781 10.850 -3.455 1.00 0.00 C flip ATOM 1045 NE2 HIS A 69 12.975 10.373 -3.154 1.00 0.00 N flip ATOM 0 H HIS A 69 9.040 10.910 0.509 1.00 0.00 H new ATOM 0 HA HIS A 69 10.152 8.390 -0.483 1.00 0.00 H new ATOM 0 HB2 HIS A 69 11.246 10.986 0.614 1.00 0.00 H new ATOM 0 HB3 HIS A 69 12.259 9.557 0.585 1.00 0.00 H new ATOM 0 HD1 HIS A 69 10.021 11.126 -2.267 1.00 0.00 H new ATOM 0 HD2 HIS A 69 13.816 9.610 -1.345 1.00 0.00 H new ATOM 0 HE1 HIS A 69 11.475 11.208 -4.427 1.00 0.00 H new ATOM 1054 N ALA A 70 9.186 7.688 1.961 1.00 0.00 N ATOM 1055 CA ALA A 70 9.123 6.969 3.229 1.00 0.00 C ATOM 1056 C ALA A 70 7.901 6.057 3.291 1.00 0.00 C ATOM 1057 O ALA A 70 7.313 5.866 4.355 1.00 0.00 O ATOM 1058 CB ALA A 70 9.108 7.952 4.390 1.00 0.00 C ATOM 0 H ALA A 70 8.379 7.545 1.353 1.00 0.00 H new ATOM 0 HA ALA A 70 10.012 6.342 3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.061 7.403 5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.015 8.556 4.367 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.237 8.602 4.305 1.00 0.00 H new ATOM 1064 N ILE A 71 7.525 5.495 2.147 1.00 0.00 N ATOM 1065 CA ILE A 71 6.373 4.604 2.079 1.00 0.00 C ATOM 1066 C ILE A 71 6.689 3.244 2.691 1.00 0.00 C ATOM 1067 O ILE A 71 5.978 2.769 3.575 1.00 0.00 O ATOM 1068 CB ILE A 71 5.900 4.406 0.628 1.00 0.00 C ATOM 1069 CG1 ILE A 71 5.821 5.751 -0.097 1.00 0.00 C ATOM 1070 CG2 ILE A 71 4.547 3.709 0.606 1.00 0.00 C ATOM 1071 CD1 ILE A 71 5.109 6.828 0.694 1.00 0.00 C ATOM 0 H ILE A 71 8.000 5.640 1.256 1.00 0.00 H new ATOM 0 HA ILE A 71 5.575 5.078 2.651 1.00 0.00 H new ATOM 0 HB ILE A 71 6.624 3.778 0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.831 6.090 -0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.307 5.611 -1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.224 3.575 -0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.631 2.736 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.816 4.317 1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.092 7.752 0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.087 6.511 0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.635 6.997 1.634 1.00 0.00 H new ATOM 1083 N GLY A 72 7.764 2.622 2.215 1.00 0.00 N ATOM 1084 CA GLY A 72 8.155 1.323 2.730 1.00 0.00 C ATOM 1085 C GLY A 72 8.481 1.362 4.210 1.00 0.00 C ATOM 1086 O GLY A 72 8.332 0.361 4.912 1.00 0.00 O ATOM 0 H GLY A 72 8.370 2.994 1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.350 0.609 2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.024 0.963 2.179 1.00 0.00 H new ATOM 1090 N GLN A 73 8.926 2.521 4.686 1.00 0.00 N ATOM 1091 CA GLN A 73 9.274 2.687 6.093 1.00 0.00 C ATOM 1092 C GLN A 73 8.060 3.108 6.920 1.00 0.00 C ATOM 1093 O GLN A 73 8.092 3.058 8.149 1.00 0.00 O ATOM 1094 CB GLN A 73 10.393 3.718 6.246 1.00 0.00 C ATOM 1095 CG GLN A 73 10.009 5.109 5.771 1.00 0.00 C ATOM 1096 CD GLN A 73 11.179 6.074 5.787 1.00 0.00 C ATOM 1097 OE1 GLN A 73 10.987 7.228 6.416 1.00 0.00 O flip ATOM 1098 NE2 GLN A 73 12.245 5.785 5.242 1.00 0.00 N flip ATOM 0 H GLN A 73 9.054 3.359 4.118 1.00 0.00 H new ATOM 0 HA GLN A 73 9.621 1.723 6.466 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.687 3.770 7.294 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.265 3.380 5.687 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.609 5.046 4.759 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.213 5.499 6.405 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.349 4.887 4.770 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.024 6.444 5.263 1.00 0.00 H new ATOM 1107 N MET A 74 6.991 3.522 6.244 1.00 0.00 N ATOM 1108 CA MET A 74 5.775 3.949 6.927 1.00 0.00 C ATOM 1109 C MET A 74 4.789 2.791 7.059 1.00 0.00 C ATOM 1110 O MET A 74 3.992 2.745 7.995 1.00 0.00 O ATOM 1111 CB MET A 74 5.119 5.108 6.173 1.00 0.00 C ATOM 1112 CG MET A 74 5.522 6.478 6.693 1.00 0.00 C ATOM 1113 SD MET A 74 4.127 7.616 6.812 1.00 0.00 S ATOM 1114 CE MET A 74 3.289 7.290 5.263 1.00 0.00 C ATOM 0 H MET A 74 6.943 3.570 5.226 1.00 0.00 H new ATOM 0 HA MET A 74 6.050 4.285 7.927 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.381 5.038 5.117 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.036 5.007 6.240 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.981 6.368 7.676 1.00 0.00 H new ATOM 0 HG3 MET A 74 6.278 6.904 6.034 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.734 8.177 4.956 1.00 0.00 H new ATOM 0 HE2 MET A 74 4.023 7.038 4.498 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.599 6.456 5.391 1.00 0.00 H new ATOM 1124 N CYS A 75 4.848 1.856 6.114 1.00 0.00 N ATOM 1125 CA CYS A 75 3.960 0.699 6.126 1.00 0.00 C ATOM 1126 C CYS A 75 4.754 -0.596 6.267 1.00 0.00 C ATOM 1127 O CYS A 75 5.940 -0.647 5.941 1.00 0.00 O ATOM 1128 CB CYS A 75 3.120 0.660 4.848 1.00 0.00 C ATOM 1129 SG CYS A 75 4.088 0.438 3.337 1.00 0.00 S ATOM 0 H CYS A 75 5.501 1.878 5.331 1.00 0.00 H new ATOM 0 HA CYS A 75 3.296 0.792 6.986 1.00 0.00 H new ATOM 0 HB2 CYS A 75 2.396 -0.151 4.926 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.552 1.587 4.770 1.00 0.00 H new ATOM 0 HG CYS A 75 5.025 1.338 3.285 1.00 0.00 H new ATOM 1135 N GLU A 76 4.090 -1.639 6.752 1.00 0.00 N ATOM 1136 CA GLU A 76 4.732 -2.936 6.936 1.00 0.00 C ATOM 1137 C GLU A 76 4.251 -3.933 5.886 1.00 0.00 C ATOM 1138 O GLU A 76 3.990 -5.096 6.192 1.00 0.00 O ATOM 1139 CB GLU A 76 4.448 -3.475 8.339 1.00 0.00 C ATOM 1140 CG GLU A 76 5.011 -2.605 9.451 1.00 0.00 C ATOM 1141 CD GLU A 76 4.165 -2.647 10.708 1.00 0.00 C ATOM 1142 OE1 GLU A 76 3.979 -3.751 11.262 1.00 0.00 O ATOM 1143 OE2 GLU A 76 3.688 -1.576 11.140 1.00 0.00 O ATOM 0 H GLU A 76 3.108 -1.612 7.025 1.00 0.00 H new ATOM 0 HA GLU A 76 5.807 -2.803 6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.370 -3.568 8.472 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.867 -4.477 8.426 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.023 -2.934 9.687 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.084 -1.575 9.100 1.00 0.00 H new ATOM 1150 N ALA A 77 4.134 -3.468 4.646 1.00 0.00 N ATOM 1151 CA ALA A 77 3.683 -4.317 3.551 1.00 0.00 C ATOM 1152 C ALA A 77 4.209 -3.811 2.210 1.00 0.00 C ATOM 1153 O ALA A 77 4.693 -2.684 2.111 1.00 0.00 O ATOM 1154 CB ALA A 77 2.164 -4.387 3.533 1.00 0.00 C ATOM 0 H ALA A 77 4.346 -2.508 4.375 1.00 0.00 H new ATOM 0 HA ALA A 77 4.081 -5.319 3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.839 -5.024 2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.808 -4.802 4.476 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.755 -3.385 3.400 1.00 0.00 H new ATOM 1160 N PRO A 78 4.120 -4.643 1.157 1.00 0.00 N ATOM 1161 CA PRO A 78 4.590 -4.272 -0.183 1.00 0.00 C ATOM 1162 C PRO A 78 3.780 -3.129 -0.785 1.00 0.00 C ATOM 1163 O PRO A 78 2.557 -3.213 -0.900 1.00 0.00 O ATOM 1164 CB PRO A 78 4.397 -5.552 -1.001 1.00 0.00 C ATOM 1165 CG PRO A 78 3.353 -6.320 -0.268 1.00 0.00 C ATOM 1166 CD PRO A 78 3.557 -6.004 1.187 1.00 0.00 C ATOM 0 HA PRO A 78 5.620 -3.915 -0.166 1.00 0.00 H new ATOM 0 HB2 PRO A 78 4.080 -5.326 -2.019 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.326 -6.118 -1.074 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.354 -6.031 -0.594 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.452 -7.390 -0.453 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.620 -6.041 1.743 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.237 -6.711 1.662 1.00 0.00 H new ATOM 1174 N VAL A 79 4.472 -2.064 -1.170 1.00 0.00 N ATOM 1175 CA VAL A 79 3.825 -0.900 -1.763 1.00 0.00 C ATOM 1176 C VAL A 79 3.798 -1.008 -3.284 1.00 0.00 C ATOM 1177 O VAL A 79 4.829 -1.246 -3.913 1.00 0.00 O ATOM 1178 CB VAL A 79 4.547 0.401 -1.364 1.00 0.00 C ATOM 1179 CG1 VAL A 79 3.773 1.615 -1.850 1.00 0.00 C ATOM 1180 CG2 VAL A 79 4.752 0.456 0.142 1.00 0.00 C ATOM 0 H VAL A 79 5.485 -1.982 -1.082 1.00 0.00 H new ATOM 0 HA VAL A 79 2.803 -0.872 -1.384 1.00 0.00 H new ATOM 0 HB VAL A 79 5.527 0.412 -1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.300 2.523 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.685 1.580 -2.936 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.778 1.614 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.263 1.382 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.784 0.421 0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.355 -0.395 0.458 1.00 0.00 H new ATOM 1190 N VAL A 80 2.618 -0.834 -3.874 1.00 0.00 N ATOM 1191 CA VAL A 80 2.479 -0.917 -5.323 1.00 0.00 C ATOM 1192 C VAL A 80 1.469 0.100 -5.835 1.00 0.00 C ATOM 1193 O VAL A 80 0.845 0.812 -5.056 1.00 0.00 O ATOM 1194 CB VAL A 80 2.034 -2.324 -5.765 1.00 0.00 C ATOM 1195 CG1 VAL A 80 3.109 -3.352 -5.452 1.00 0.00 C ATOM 1196 CG2 VAL A 80 0.718 -2.702 -5.099 1.00 0.00 C ATOM 0 H VAL A 80 1.751 -0.636 -3.374 1.00 0.00 H new ATOM 0 HA VAL A 80 3.460 -0.702 -5.747 1.00 0.00 H new ATOM 0 HB VAL A 80 1.881 -2.311 -6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.774 -4.338 -5.772 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.026 -3.091 -5.980 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.299 -3.364 -4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.419 -3.699 -5.423 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.843 -2.695 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.052 -1.983 -5.380 1.00 0.00 H new ATOM 1206 N THR A 81 1.305 0.155 -7.149 1.00 0.00 N ATOM 1207 CA THR A 81 0.356 1.077 -7.757 1.00 0.00 C ATOM 1208 C THR A 81 -0.958 0.357 -8.044 1.00 0.00 C ATOM 1209 O THR A 81 -1.010 -0.873 -8.039 1.00 0.00 O ATOM 1210 CB THR A 81 0.927 1.665 -9.048 1.00 0.00 C ATOM 1211 OG1 THR A 81 0.839 0.730 -10.108 1.00 0.00 O ATOM 1212 CG2 THR A 81 2.376 2.086 -8.926 1.00 0.00 C ATOM 0 H THR A 81 1.816 -0.427 -7.814 1.00 0.00 H new ATOM 0 HA THR A 81 0.170 1.894 -7.060 1.00 0.00 H new ATOM 0 HB THR A 81 0.325 2.550 -9.252 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.208 1.126 -10.925 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.718 2.494 -9.877 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.470 2.846 -8.150 1.00 0.00 H new ATOM 0 HG23 THR A 81 2.985 1.221 -8.662 1.00 0.00 H new ATOM 1220 N ARG A 82 -2.016 1.120 -8.288 1.00 0.00 N ATOM 1221 CA ARG A 82 -3.324 0.533 -8.569 1.00 0.00 C ATOM 1222 C ARG A 82 -3.262 -0.418 -9.764 1.00 0.00 C ATOM 1223 O ARG A 82 -4.139 -1.264 -9.934 1.00 0.00 O ATOM 1224 CB ARG A 82 -4.370 1.623 -8.820 1.00 0.00 C ATOM 1225 CG ARG A 82 -3.835 2.835 -9.566 1.00 0.00 C ATOM 1226 CD ARG A 82 -4.863 3.395 -10.535 1.00 0.00 C ATOM 1227 NE ARG A 82 -4.544 3.064 -11.923 1.00 0.00 N ATOM 1228 CZ ARG A 82 -5.309 3.397 -12.960 1.00 0.00 C ATOM 1229 NH1 ARG A 82 -6.438 4.068 -12.771 1.00 0.00 N ATOM 1230 NH2 ARG A 82 -4.944 3.058 -14.189 1.00 0.00 N ATOM 0 H ARG A 82 -1.997 2.140 -8.298 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.619 -0.040 -7.690 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.196 1.195 -9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.777 1.949 -7.863 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.550 3.607 -8.851 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.933 2.558 -10.112 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.848 3.001 -10.286 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.915 4.478 -10.423 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.684 2.547 -12.108 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.723 4.331 -11.828 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.021 4.321 -13.569 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.077 2.542 -14.340 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.530 3.313 -14.984 1.00 0.00 H new ATOM 1244 N GLU A 83 -2.223 -0.280 -10.588 1.00 0.00 N ATOM 1245 CA GLU A 83 -2.057 -1.138 -11.760 1.00 0.00 C ATOM 1246 C GLU A 83 -2.251 -2.605 -11.386 1.00 0.00 C ATOM 1247 O GLU A 83 -2.948 -3.343 -12.080 1.00 0.00 O ATOM 1248 CB GLU A 83 -0.673 -0.931 -12.381 1.00 0.00 C ATOM 1249 CG GLU A 83 -0.708 -0.718 -13.885 1.00 0.00 C ATOM 1250 CD GLU A 83 0.514 0.019 -14.398 1.00 0.00 C ATOM 1251 OE1 GLU A 83 0.740 1.168 -13.964 1.00 0.00 O ATOM 1252 OE2 GLU A 83 1.244 -0.553 -15.234 1.00 0.00 O ATOM 0 H GLU A 83 -1.487 0.415 -10.466 1.00 0.00 H new ATOM 0 HA GLU A 83 -2.816 -0.865 -12.493 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.198 -0.070 -11.911 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.051 -1.798 -12.159 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.781 -1.685 -14.384 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.604 -0.156 -14.148 1.00 0.00 H new ATOM 1259 N TRP A 84 -1.644 -3.015 -10.278 1.00 0.00 N ATOM 1260 CA TRP A 84 -1.766 -4.389 -9.803 1.00 0.00 C ATOM 1261 C TRP A 84 -3.231 -4.751 -9.621 1.00 0.00 C ATOM 1262 O TRP A 84 -3.733 -5.709 -10.210 1.00 0.00 O ATOM 1263 CB TRP A 84 -1.041 -4.544 -8.467 1.00 0.00 C ATOM 1264 CG TRP A 84 -1.107 -5.934 -7.908 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -0.429 -7.032 -8.350 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -1.901 -6.370 -6.800 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -0.753 -8.126 -7.584 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -1.655 -7.745 -6.625 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -2.795 -5.731 -5.938 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -2.273 -8.490 -5.623 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -3.408 -6.471 -4.944 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -3.145 -7.837 -4.794 1.00 0.00 C ATOM 0 H TRP A 84 -1.063 -2.416 -9.692 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.318 -5.054 -10.541 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.004 -4.262 -8.595 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.473 -3.850 -7.746 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.261 -7.040 -9.180 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -0.383 -9.068 -7.709 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.004 -4.677 -6.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -2.071 -9.544 -5.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -4.101 -5.987 -4.272 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.640 -8.388 -4.008 1.00 0.00 H new ATOM 1283 N VAL A 85 -3.903 -3.964 -8.797 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.319 -4.166 -8.511 1.00 0.00 C ATOM 1285 C VAL A 85 -6.143 -4.215 -9.793 1.00 0.00 C ATOM 1286 O VAL A 85 -7.029 -5.056 -9.941 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.866 -3.049 -7.600 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -7.331 -3.294 -7.265 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -5.034 -2.939 -6.332 1.00 0.00 C ATOM 0 H VAL A 85 -3.488 -3.171 -8.309 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.406 -5.123 -7.997 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.796 -2.104 -8.138 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.696 -2.494 -6.621 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.916 -3.315 -8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.431 -4.249 -6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.435 -2.145 -5.701 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.068 -3.885 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.001 -2.708 -6.593 1.00 0.00 H new ATOM 1299 N LEU A 86 -5.845 -3.309 -10.716 1.00 0.00 N ATOM 1300 CA LEU A 86 -6.561 -3.250 -11.986 1.00 0.00 C ATOM 1301 C LEU A 86 -6.208 -4.444 -12.867 1.00 0.00 C ATOM 1302 O LEU A 86 -7.090 -5.132 -13.380 1.00 0.00 O ATOM 1303 CB LEU A 86 -6.237 -1.943 -12.715 1.00 0.00 C ATOM 1304 CG LEU A 86 -7.455 -1.134 -13.167 1.00 0.00 C ATOM 1305 CD1 LEU A 86 -7.873 -0.151 -12.085 1.00 0.00 C ATOM 1306 CD2 LEU A 86 -7.156 -0.403 -14.468 1.00 0.00 C ATOM 0 H LEU A 86 -5.114 -2.606 -10.610 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.630 -3.285 -11.776 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.629 -1.320 -12.059 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.628 -2.174 -13.589 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.281 -1.823 -13.342 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.740 0.416 -12.424 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.128 -0.697 -11.177 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.051 0.534 -11.878 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.033 0.167 -14.775 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.316 0.275 -14.319 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.905 -1.127 -15.243 1.00 0.00 H new ATOM 1318 N ASP A 87 -4.913 -4.683 -13.033 1.00 0.00 N ATOM 1319 CA ASP A 87 -4.438 -5.793 -13.849 1.00 0.00 C ATOM 1320 C ASP A 87 -4.942 -7.123 -13.299 1.00 0.00 C ATOM 1321 O ASP A 87 -5.198 -8.061 -14.054 1.00 0.00 O ATOM 1322 CB ASP A 87 -2.908 -5.792 -13.900 1.00 0.00 C ATOM 1323 CG ASP A 87 -2.359 -6.824 -14.867 1.00 0.00 C ATOM 1324 OD1 ASP A 87 -2.850 -7.972 -14.853 1.00 0.00 O ATOM 1325 OD2 ASP A 87 -1.438 -6.484 -15.638 1.00 0.00 O ATOM 0 H ASP A 87 -4.172 -4.122 -12.613 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.828 -5.668 -14.859 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.558 -4.802 -14.193 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.514 -5.987 -12.903 1.00 0.00 H new ATOM 1330 N SER A 88 -5.083 -7.197 -11.980 1.00 0.00 N ATOM 1331 CA SER A 88 -5.559 -8.413 -11.330 1.00 0.00 C ATOM 1332 C SER A 88 -7.068 -8.562 -11.485 1.00 0.00 C ATOM 1333 O SER A 88 -7.558 -9.627 -11.856 1.00 0.00 O ATOM 1334 CB SER A 88 -5.186 -8.408 -9.846 1.00 0.00 C ATOM 1335 OG SER A 88 -3.781 -8.364 -9.672 1.00 0.00 O ATOM 0 H SER A 88 -4.875 -6.430 -11.340 1.00 0.00 H new ATOM 0 HA SER A 88 -5.077 -9.262 -11.815 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.643 -7.548 -9.356 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.587 -9.300 -9.364 1.00 0.00 H new ATOM 0 HG SER A 88 -3.460 -7.453 -9.835 1.00 0.00 H new ATOM 1341 N VAL A 89 -7.801 -7.492 -11.195 1.00 0.00 N ATOM 1342 CA VAL A 89 -9.256 -7.511 -11.302 1.00 0.00 C ATOM 1343 C VAL A 89 -9.705 -7.552 -12.760 1.00 0.00 C ATOM 1344 O VAL A 89 -10.796 -8.031 -13.069 1.00 0.00 O ATOM 1345 CB VAL A 89 -9.887 -6.285 -10.613 1.00 0.00 C ATOM 1346 CG1 VAL A 89 -11.405 -6.363 -10.658 1.00 0.00 C ATOM 1347 CG2 VAL A 89 -9.398 -6.169 -9.177 1.00 0.00 C ATOM 0 H VAL A 89 -7.412 -6.602 -10.884 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.596 -8.416 -10.798 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.577 -5.392 -11.155 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.829 -5.488 -10.166 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.737 -6.393 -11.696 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.738 -7.265 -10.145 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.854 -5.298 -8.707 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.676 -7.067 -8.624 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.314 -6.059 -9.170 1.00 0.00 H new ATOM 1357 N ALA A 90 -8.861 -7.044 -13.653 1.00 0.00 N ATOM 1358 CA ALA A 90 -9.178 -7.021 -15.075 1.00 0.00 C ATOM 1359 C ALA A 90 -9.118 -8.420 -15.679 1.00 0.00 C ATOM 1360 O ALA A 90 -10.082 -8.885 -16.288 1.00 0.00 O ATOM 1361 CB ALA A 90 -8.229 -6.087 -15.811 1.00 0.00 C ATOM 0 H ALA A 90 -7.953 -6.643 -13.416 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.197 -6.651 -15.186 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.477 -6.079 -16.872 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.326 -5.079 -15.408 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.204 -6.433 -15.680 1.00 0.00 H new ATOM 1367 N LEU A 91 -7.980 -9.085 -15.512 1.00 0.00 N ATOM 1368 CA LEU A 91 -7.793 -10.429 -16.047 1.00 0.00 C ATOM 1369 C LEU A 91 -8.031 -11.498 -14.979 1.00 0.00 C ATOM 1370 O LEU A 91 -7.865 -12.690 -15.239 1.00 0.00 O ATOM 1371 CB LEU A 91 -6.383 -10.574 -16.624 1.00 0.00 C ATOM 1372 CG LEU A 91 -6.044 -11.965 -17.168 1.00 0.00 C ATOM 1373 CD1 LEU A 91 -5.371 -11.859 -18.527 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -5.158 -12.720 -16.189 1.00 0.00 C ATOM 0 H LEU A 91 -7.173 -8.715 -15.010 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.527 -10.576 -16.839 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.259 -9.847 -17.426 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.661 -10.319 -15.848 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.973 -12.522 -17.289 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.138 -12.858 -18.897 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.041 -11.360 -19.227 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.450 -11.283 -18.433 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.928 -13.706 -16.593 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.232 -12.166 -16.034 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.678 -12.830 -15.238 1.00 0.00 H new ATOM 1386 N TYR A 92 -8.420 -11.071 -13.780 1.00 0.00 N ATOM 1387 CA TYR A 92 -8.678 -12.000 -12.682 1.00 0.00 C ATOM 1388 C TYR A 92 -7.481 -12.920 -12.452 1.00 0.00 C ATOM 1389 O TYR A 92 -7.452 -14.050 -12.938 1.00 0.00 O ATOM 1390 CB TYR A 92 -9.930 -12.830 -12.971 1.00 0.00 C ATOM 1391 CG TYR A 92 -11.089 -12.518 -12.050 1.00 0.00 C ATOM 1392 CD1 TYR A 92 -10.892 -12.348 -10.684 1.00 0.00 C ATOM 1393 CD2 TYR A 92 -12.380 -12.393 -12.547 1.00 0.00 C ATOM 1394 CE1 TYR A 92 -11.949 -12.065 -9.841 1.00 0.00 C ATOM 1395 CE2 TYR A 92 -13.442 -12.109 -11.709 1.00 0.00 C ATOM 1396 CZ TYR A 92 -13.223 -11.946 -10.358 1.00 0.00 C ATOM 1397 OH TYR A 92 -14.280 -11.663 -9.523 1.00 0.00 O ATOM 0 H TYR A 92 -8.563 -10.089 -13.544 1.00 0.00 H new ATOM 0 HA TYR A 92 -8.841 -11.416 -11.776 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -10.240 -12.658 -14.002 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.682 -13.888 -12.884 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.896 -12.439 -10.276 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.557 -12.520 -13.605 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.779 -11.937 -8.782 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -14.440 -12.015 -12.111 1.00 0.00 H new ATOM 0 HH TYR A 92 -15.106 -11.612 -10.047 1.00 0.00 H new ATOM 1407 N GLN A 93 -6.498 -12.428 -11.705 1.00 0.00 N ATOM 1408 CA GLN A 93 -5.299 -13.207 -11.408 1.00 0.00 C ATOM 1409 C GLN A 93 -4.349 -12.420 -10.511 1.00 0.00 C ATOM 1410 O GLN A 93 -4.051 -11.255 -10.776 1.00 0.00 O ATOM 1411 CB GLN A 93 -4.588 -13.605 -12.703 1.00 0.00 C ATOM 1412 CG GLN A 93 -4.079 -15.038 -12.701 1.00 0.00 C ATOM 1413 CD GLN A 93 -2.571 -15.123 -12.837 1.00 0.00 C ATOM 1414 OE1 GLN A 93 -1.850 -15.215 -11.844 1.00 0.00 O ATOM 1415 NE2 GLN A 93 -2.085 -15.090 -14.073 1.00 0.00 N ATOM 0 H GLN A 93 -6.507 -11.494 -11.294 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.604 -14.110 -10.880 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.274 -13.473 -13.540 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.748 -12.930 -12.869 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.384 -15.527 -11.776 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.545 -15.586 -13.520 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.719 -15.013 -14.868 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.078 -15.142 -14.227 1.00 0.00 H new ATOM 1424 N CYS A 94 -3.878 -13.063 -9.448 1.00 0.00 N ATOM 1425 CA CYS A 94 -2.961 -12.423 -8.512 1.00 0.00 C ATOM 1426 C CYS A 94 -1.604 -12.176 -9.160 1.00 0.00 C ATOM 1427 O CYS A 94 -0.652 -12.925 -8.937 1.00 0.00 O ATOM 1428 CB CYS A 94 -2.792 -13.285 -7.259 1.00 0.00 C ATOM 1429 SG CYS A 94 -1.985 -12.437 -5.882 1.00 0.00 S ATOM 0 H CYS A 94 -4.116 -14.027 -9.213 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.387 -11.461 -8.228 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.773 -13.630 -6.934 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -2.211 -14.171 -7.516 1.00 0.00 H new ATOM 0 HG CYS A 94 -2.847 -11.675 -5.277 1.00 0.00 H new ATOM 1435 N GLN A 95 -1.520 -11.120 -9.963 1.00 0.00 N ATOM 1436 CA GLN A 95 -0.277 -10.774 -10.642 1.00 0.00 C ATOM 1437 C GLN A 95 0.821 -10.459 -9.634 1.00 0.00 C ATOM 1438 O GLN A 95 0.571 -10.388 -8.430 1.00 0.00 O ATOM 1439 CB GLN A 95 -0.491 -9.577 -11.569 1.00 0.00 C ATOM 1440 CG GLN A 95 -1.623 -9.772 -12.565 1.00 0.00 C ATOM 1441 CD GLN A 95 -1.310 -10.832 -13.603 1.00 0.00 C ATOM 1442 OE1 GLN A 95 -1.892 -11.917 -13.594 1.00 0.00 O ATOM 1443 NE2 GLN A 95 -0.385 -10.523 -14.504 1.00 0.00 N ATOM 0 H GLN A 95 -2.298 -10.490 -10.159 1.00 0.00 H new ATOM 0 HA GLN A 95 0.033 -11.633 -11.237 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.698 -8.693 -10.965 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.432 -9.381 -12.115 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.530 -10.051 -12.029 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.827 -8.826 -13.067 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.072 -9.612 -14.474 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.131 -11.197 -15.226 1.00 0.00 H new ATOM 1452 N GLU A 96 2.038 -10.269 -10.132 1.00 0.00 N ATOM 1453 CA GLU A 96 3.174 -9.960 -9.272 1.00 0.00 C ATOM 1454 C GLU A 96 3.138 -8.501 -8.831 1.00 0.00 C ATOM 1455 O GLU A 96 2.580 -7.648 -9.520 1.00 0.00 O ATOM 1456 CB GLU A 96 4.493 -10.251 -9.995 1.00 0.00 C ATOM 1457 CG GLU A 96 4.442 -11.472 -10.902 1.00 0.00 C ATOM 1458 CD GLU A 96 3.900 -12.700 -10.198 1.00 0.00 C ATOM 1459 OE1 GLU A 96 4.175 -12.862 -8.990 1.00 0.00 O ATOM 1460 OE2 GLU A 96 3.201 -13.500 -10.854 1.00 0.00 O ATOM 0 H GLU A 96 2.263 -10.323 -11.125 1.00 0.00 H new ATOM 0 HA GLU A 96 3.108 -10.595 -8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.770 -9.380 -10.589 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.279 -10.394 -9.253 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.819 -11.250 -11.769 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.444 -11.685 -11.275 1.00 0.00 H new ATOM 1467 N LEU A 97 3.736 -8.222 -7.679 1.00 0.00 N ATOM 1468 CA LEU A 97 3.774 -6.865 -7.146 1.00 0.00 C ATOM 1469 C LEU A 97 5.058 -6.156 -7.557 1.00 0.00 C ATOM 1470 O LEU A 97 5.095 -4.929 -7.665 1.00 0.00 O ATOM 1471 CB LEU A 97 3.654 -6.892 -5.622 1.00 0.00 C ATOM 1472 CG LEU A 97 2.221 -6.868 -5.091 1.00 0.00 C ATOM 1473 CD1 LEU A 97 1.723 -8.283 -4.835 1.00 0.00 C ATOM 1474 CD2 LEU A 97 2.129 -6.030 -3.825 1.00 0.00 C ATOM 0 H LEU A 97 4.201 -8.917 -7.096 1.00 0.00 H new ATOM 0 HA LEU A 97 2.930 -6.313 -7.559 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.150 -7.788 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.192 -6.036 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 97 1.584 -6.411 -5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.701 -8.246 -4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.746 -8.851 -5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.365 -8.767 -4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.100 -6.027 -3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.780 -6.453 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.441 -5.008 -4.042 1.00 0.00 H new ATOM 1486 N ASP A 98 6.110 -6.934 -7.786 1.00 0.00 N ATOM 1487 CA ASP A 98 7.398 -6.382 -8.189 1.00 0.00 C ATOM 1488 C ASP A 98 7.268 -5.591 -9.486 1.00 0.00 C ATOM 1489 O ASP A 98 7.984 -4.613 -9.704 1.00 0.00 O ATOM 1490 CB ASP A 98 8.425 -7.503 -8.362 1.00 0.00 C ATOM 1491 CG ASP A 98 9.851 -6.990 -8.334 1.00 0.00 C ATOM 1492 OD1 ASP A 98 10.082 -5.911 -7.749 1.00 0.00 O ATOM 1493 OD2 ASP A 98 10.737 -7.667 -8.897 1.00 0.00 O ATOM 0 H ASP A 98 6.096 -7.950 -7.699 1.00 0.00 H new ATOM 0 HA ASP A 98 7.737 -5.706 -7.404 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.291 -8.240 -7.570 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.244 -8.015 -9.307 1.00 0.00 H new ATOM 1498 N THR A 99 6.348 -6.019 -10.344 1.00 0.00 N ATOM 1499 CA THR A 99 6.121 -5.351 -11.621 1.00 0.00 C ATOM 1500 C THR A 99 5.411 -4.013 -11.424 1.00 0.00 C ATOM 1501 O THR A 99 5.403 -3.169 -12.321 1.00 0.00 O ATOM 1502 CB THR A 99 5.297 -6.245 -12.548 1.00 0.00 C ATOM 1503 OG1 THR A 99 5.552 -7.614 -12.284 1.00 0.00 O ATOM 1504 CG2 THR A 99 5.574 -6.003 -14.016 1.00 0.00 C ATOM 0 H THR A 99 5.747 -6.826 -10.178 1.00 0.00 H new ATOM 0 HA THR A 99 7.093 -5.160 -12.077 1.00 0.00 H new ATOM 0 HB THR A 99 4.257 -5.990 -12.343 1.00 0.00 H new ATOM 0 HG1 THR A 99 5.014 -8.169 -12.886 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.956 -6.670 -14.618 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.339 -4.968 -14.265 1.00 0.00 H new ATOM 0 HG23 THR A 99 6.626 -6.196 -14.224 1.00 0.00 H new ATOM 1512 N TYR A 100 4.818 -3.821 -10.248 1.00 0.00 N ATOM 1513 CA TYR A 100 4.110 -2.583 -9.942 1.00 0.00 C ATOM 1514 C TYR A 100 4.466 -2.090 -8.544 1.00 0.00 C ATOM 1515 O TYR A 100 3.660 -1.438 -7.880 1.00 0.00 O ATOM 1516 CB TYR A 100 2.597 -2.788 -10.056 1.00 0.00 C ATOM 1517 CG TYR A 100 2.184 -3.635 -11.238 1.00 0.00 C ATOM 1518 CD1 TYR A 100 2.364 -3.182 -12.539 1.00 0.00 C ATOM 1519 CD2 TYR A 100 1.612 -4.888 -11.053 1.00 0.00 C ATOM 1520 CE1 TYR A 100 1.988 -3.954 -13.623 1.00 0.00 C ATOM 1521 CE2 TYR A 100 1.233 -5.665 -12.130 1.00 0.00 C ATOM 1522 CZ TYR A 100 1.423 -5.195 -13.413 1.00 0.00 C ATOM 1523 OH TYR A 100 1.046 -5.966 -14.487 1.00 0.00 O ATOM 0 H TYR A 100 4.814 -4.507 -9.493 1.00 0.00 H new ATOM 0 HA TYR A 100 4.418 -1.829 -10.666 1.00 0.00 H new ATOM 0 HB2 TYR A 100 2.233 -3.255 -9.141 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.112 -1.815 -10.131 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.805 -2.211 -12.707 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.461 -5.260 -10.050 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.136 -3.588 -14.628 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.790 -6.637 -11.968 1.00 0.00 H new ATOM 0 HH TYR A 100 0.073 -5.925 -14.593 1.00 0.00 H new ATOM 1533 N LEU A 101 5.681 -2.406 -8.105 1.00 0.00 N ATOM 1534 CA LEU A 101 6.151 -1.998 -6.787 1.00 0.00 C ATOM 1535 C LEU A 101 6.995 -0.730 -6.882 1.00 0.00 C ATOM 1536 O LEU A 101 7.422 -0.338 -7.968 1.00 0.00 O ATOM 1537 CB LEU A 101 6.963 -3.126 -6.145 1.00 0.00 C ATOM 1538 CG LEU A 101 6.476 -3.574 -4.764 1.00 0.00 C ATOM 1539 CD1 LEU A 101 6.533 -5.089 -4.641 1.00 0.00 C ATOM 1540 CD2 LEU A 101 7.303 -2.919 -3.667 1.00 0.00 C ATOM 0 H LEU A 101 6.358 -2.945 -8.645 1.00 0.00 H new ATOM 0 HA LEU A 101 5.283 -1.786 -6.163 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.951 -3.987 -6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.000 -2.802 -6.060 1.00 0.00 H new ATOM 0 HG LEU A 101 5.439 -3.259 -4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.183 -5.387 -3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.897 -5.540 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.560 -5.427 -4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.942 -3.249 -2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.349 -3.202 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.211 -1.835 -3.740 1.00 0.00 H new ATOM 1552 N ILE A 102 7.232 -0.093 -5.741 1.00 0.00 N ATOM 1553 CA ILE A 102 8.025 1.129 -5.698 1.00 0.00 C ATOM 1554 C ILE A 102 9.048 1.085 -4.565 1.00 0.00 C ATOM 1555 O ILE A 102 8.730 1.403 -3.419 1.00 0.00 O ATOM 1556 CB ILE A 102 7.132 2.372 -5.519 1.00 0.00 C ATOM 1557 CG1 ILE A 102 6.255 2.225 -4.272 1.00 0.00 C ATOM 1558 CG2 ILE A 102 6.275 2.591 -6.758 1.00 0.00 C ATOM 1559 CD1 ILE A 102 6.432 3.346 -3.273 1.00 0.00 C ATOM 0 H ILE A 102 6.886 -0.403 -4.833 1.00 0.00 H new ATOM 0 HA ILE A 102 8.547 1.199 -6.652 1.00 0.00 H new ATOM 0 HB ILE A 102 7.771 3.245 -5.386 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.209 2.182 -4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.485 1.277 -3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 102 5.650 3.472 -6.617 1.00 0.00 H new ATOM 0 HG22 ILE A 102 6.919 2.738 -7.625 1.00 0.00 H new ATOM 0 HG23 ILE A 102 5.642 1.719 -6.921 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.780 3.176 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.469 3.376 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.174 4.296 -3.742 1.00 0.00 H new ATOM 1571 N PRO A 103 10.296 0.690 -4.872 1.00 0.00 N ATOM 1572 CA PRO A 103 11.364 0.606 -3.873 1.00 0.00 C ATOM 1573 C PRO A 103 11.931 1.976 -3.514 1.00 0.00 C ATOM 1574 O PRO A 103 11.361 3.007 -3.869 1.00 0.00 O ATOM 1575 CB PRO A 103 12.423 -0.246 -4.569 1.00 0.00 C ATOM 1576 CG PRO A 103 12.236 0.033 -6.020 1.00 0.00 C ATOM 1577 CD PRO A 103 10.764 0.292 -6.214 1.00 0.00 C ATOM 0 HA PRO A 103 11.012 0.190 -2.929 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.427 0.023 -4.240 1.00 0.00 H new ATOM 0 HB3 PRO A 103 12.288 -1.305 -4.348 1.00 0.00 H new ATOM 0 HG2 PRO A 103 12.827 0.895 -6.330 1.00 0.00 H new ATOM 0 HG3 PRO A 103 12.565 -0.812 -6.624 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.590 1.079 -6.948 1.00 0.00 H new ATOM 0 HD3 PRO A 103 10.245 -0.598 -6.571 1.00 0.00 H new ATOM 1585 N GLN A 104 13.058 1.979 -2.807 1.00 0.00 N ATOM 1586 CA GLN A 104 13.701 3.222 -2.401 1.00 0.00 C ATOM 1587 C GLN A 104 14.983 3.456 -3.193 1.00 0.00 C ATOM 1588 O GLN A 104 15.446 2.575 -3.916 1.00 0.00 O ATOM 1589 CB GLN A 104 14.011 3.195 -0.902 1.00 0.00 C ATOM 1590 CG GLN A 104 13.943 4.564 -0.242 1.00 0.00 C ATOM 1591 CD GLN A 104 12.839 4.659 0.793 1.00 0.00 C ATOM 1592 OE1 GLN A 104 11.910 3.852 0.804 1.00 0.00 O ATOM 1593 NE2 GLN A 104 12.936 5.651 1.671 1.00 0.00 N ATOM 0 H GLN A 104 13.543 1.134 -2.504 1.00 0.00 H new ATOM 0 HA GLN A 104 13.013 4.042 -2.608 1.00 0.00 H new ATOM 0 HB2 GLN A 104 13.308 2.526 -0.406 1.00 0.00 H new ATOM 0 HB3 GLN A 104 15.007 2.778 -0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 104 14.900 4.782 0.232 1.00 0.00 H new ATOM 0 HG3 GLN A 104 13.785 5.324 -1.007 1.00 0.00 H new ATOM 0 HE21 GLN A 104 13.724 6.297 1.625 1.00 0.00 H new ATOM 0 HE22 GLN A 104 12.223 5.766 2.391 1.00 0.00 H new ATOM 1602 N ILE A 105 15.552 4.649 -3.050 1.00 0.00 N ATOM 1603 CA ILE A 105 16.781 5.001 -3.752 1.00 0.00 C ATOM 1604 C ILE A 105 17.849 5.494 -2.777 1.00 0.00 C ATOM 1605 O ILE A 105 17.751 6.602 -2.250 1.00 0.00 O ATOM 1606 CB ILE A 105 16.531 6.089 -4.814 1.00 0.00 C ATOM 1607 CG1 ILE A 105 15.667 7.212 -4.237 1.00 0.00 C ATOM 1608 CG2 ILE A 105 15.872 5.486 -6.046 1.00 0.00 C ATOM 1609 CD1 ILE A 105 15.973 8.573 -4.824 1.00 0.00 C ATOM 0 H ILE A 105 15.181 5.389 -2.454 1.00 0.00 H new ATOM 0 HA ILE A 105 17.133 4.096 -4.247 1.00 0.00 H new ATOM 0 HB ILE A 105 17.491 6.512 -5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 105 14.617 6.978 -4.412 1.00 0.00 H new ATOM 0 HG13 ILE A 105 15.810 7.251 -3.157 1.00 0.00 H new ATOM 0 HG21 ILE A 105 15.702 6.267 -6.787 1.00 0.00 H new ATOM 0 HG22 ILE A 105 16.523 4.720 -6.469 1.00 0.00 H new ATOM 0 HG23 ILE A 105 14.919 5.038 -5.766 1.00 0.00 H new ATOM 0 HD11 ILE A 105 15.323 9.320 -4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 105 17.014 8.829 -4.626 1.00 0.00 H new ATOM 0 HD13 ILE A 105 15.803 8.552 -5.900 1.00 0.00 H new ATOM 1621 N PRO A 106 18.889 4.677 -2.522 1.00 0.00 N ATOM 1622 CA PRO A 106 19.972 5.044 -1.603 1.00 0.00 C ATOM 1623 C PRO A 106 20.547 6.424 -1.906 1.00 0.00 C ATOM 1624 O PRO A 106 20.586 6.852 -3.059 1.00 0.00 O ATOM 1625 CB PRO A 106 21.024 3.961 -1.845 1.00 0.00 C ATOM 1626 CG PRO A 106 20.248 2.782 -2.319 1.00 0.00 C ATOM 1627 CD PRO A 106 19.090 3.335 -3.104 1.00 0.00 C ATOM 0 HA PRO A 106 19.629 5.100 -0.570 1.00 0.00 H new ATOM 0 HB2 PRO A 106 21.756 4.278 -2.588 1.00 0.00 H new ATOM 0 HB3 PRO A 106 21.575 3.732 -0.932 1.00 0.00 H new ATOM 0 HG2 PRO A 106 20.865 2.133 -2.940 1.00 0.00 H new ATOM 0 HG3 PRO A 106 19.899 2.182 -1.479 1.00 0.00 H new ATOM 0 HD2 PRO A 106 19.316 3.389 -4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 106 18.200 2.714 -2.998 1.00 0.00 H new ATOM 1635 N HIS A 107 20.993 7.115 -0.862 1.00 0.00 N ATOM 1636 CA HIS A 107 21.567 8.447 -1.015 1.00 0.00 C ATOM 1637 C HIS A 107 22.189 8.925 0.293 1.00 0.00 C ATOM 1638 O HIS A 107 23.363 9.290 0.337 1.00 0.00 O ATOM 1639 CB HIS A 107 20.497 9.436 -1.477 1.00 0.00 C ATOM 1640 CG HIS A 107 21.019 10.502 -2.388 1.00 0.00 C ATOM 1641 ND1 HIS A 107 22.197 11.182 -2.156 1.00 0.00 N ATOM 1642 CD2 HIS A 107 20.519 11.006 -3.542 1.00 0.00 C ATOM 1643 CE1 HIS A 107 22.397 12.057 -3.125 1.00 0.00 C ATOM 1644 NE2 HIS A 107 21.394 11.969 -3.979 1.00 0.00 N ATOM 0 H HIS A 107 20.968 6.775 0.099 1.00 0.00 H new ATOM 0 HA HIS A 107 22.351 8.393 -1.770 1.00 0.00 H new ATOM 0 HB2 HIS A 107 19.705 8.889 -1.988 1.00 0.00 H new ATOM 0 HB3 HIS A 107 20.047 9.906 -0.603 1.00 0.00 H new ATOM 0 HD2 HIS A 107 19.602 10.706 -4.028 1.00 0.00 H new ATOM 0 HE1 HIS A 107 23.238 12.730 -3.205 1.00 0.00 H new ATOM 0 HE2 HIS A 107 21.287 12.526 -4.826 1.00 0.00 H new ATOM 1653 N SER A 108 21.392 8.919 1.357 1.00 0.00 N ATOM 1654 CA SER A 108 21.863 9.352 2.667 1.00 0.00 C ATOM 1655 C SER A 108 20.784 9.155 3.727 1.00 0.00 C ATOM 1656 O SER A 108 19.615 8.940 3.403 1.00 0.00 O ATOM 1657 CB SER A 108 22.285 10.822 2.621 1.00 0.00 C ATOM 1658 OG SER A 108 21.199 11.654 2.254 1.00 0.00 O ATOM 0 H SER A 108 20.417 8.619 1.337 1.00 0.00 H new ATOM 0 HA SER A 108 22.725 8.741 2.934 1.00 0.00 H new ATOM 0 HB2 SER A 108 22.665 11.125 3.597 1.00 0.00 H new ATOM 0 HB3 SER A 108 23.100 10.947 1.908 1.00 0.00 H new ATOM 0 HG SER A 108 21.495 12.588 2.234 1.00 0.00 H new ATOM 1664 N HIS A 109 21.182 9.230 4.993 1.00 0.00 N ATOM 1665 CA HIS A 109 20.247 9.059 6.099 1.00 0.00 C ATOM 1666 C HIS A 109 19.268 10.227 6.168 1.00 0.00 C ATOM 1667 O HIS A 109 19.663 11.389 6.073 1.00 0.00 O ATOM 1668 CB HIS A 109 21.006 8.936 7.420 1.00 0.00 C ATOM 1669 CG HIS A 109 21.847 10.131 7.742 1.00 0.00 C ATOM 1670 ND1 HIS A 109 22.250 11.166 6.966 1.00 0.00 N flip ATOM 1671 CD2 HIS A 109 22.378 10.365 8.994 1.00 0.00 C flip ATOM 1672 CE1 HIS A 109 23.008 11.996 7.755 1.00 0.00 C flip ATOM 1673 NE2 HIS A 109 23.070 11.491 8.973 1.00 0.00 N flip ATOM 0 H HIS A 109 22.145 9.408 5.278 1.00 0.00 H new ATOM 0 HA HIS A 109 19.681 8.144 5.927 1.00 0.00 H new ATOM 0 HB2 HIS A 109 20.291 8.778 8.227 1.00 0.00 H new ATOM 0 HB3 HIS A 109 21.644 8.053 7.382 1.00 0.00 H new ATOM 0 HD2 HIS A 109 22.248 9.728 9.856 1.00 0.00 H new ATOM 0 HE1 HIS A 109 23.477 12.913 7.431 1.00 0.00 H new ATOM 0 HE2 HIS A 109 23.568 11.900 9.764 1.00 0.00 H new ATOM 1682 N TYR A 110 17.988 9.909 6.335 1.00 0.00 N ATOM 1683 CA TYR A 110 16.951 10.932 6.418 1.00 0.00 C ATOM 1684 C TYR A 110 15.963 10.614 7.536 1.00 0.00 C ATOM 1685 O TYR A 110 15.301 9.558 7.457 1.00 0.00 O ATOM 1686 CB TYR A 110 16.210 11.044 5.085 1.00 0.00 C ATOM 1687 CG TYR A 110 15.254 12.214 5.019 1.00 0.00 C ATOM 1688 CD1 TYR A 110 13.946 12.092 5.468 1.00 0.00 C ATOM 1689 CD2 TYR A 110 15.661 13.440 4.507 1.00 0.00 C ATOM 1690 CE1 TYR A 110 13.069 13.160 5.411 1.00 0.00 C ATOM 1691 CE2 TYR A 110 14.791 14.511 4.446 1.00 0.00 C ATOM 1692 CZ TYR A 110 13.497 14.366 4.899 1.00 0.00 C ATOM 1693 OH TYR A 110 12.627 15.431 4.841 1.00 0.00 O ATOM 1694 OXT TYR A 110 15.861 11.423 8.481 1.00 0.00 O ATOM 0 H TYR A 110 17.644 8.952 6.415 1.00 0.00 H new ATOM 0 HA TYR A 110 17.431 11.885 6.641 1.00 0.00 H new ATOM 0 HB2 TYR A 110 16.939 11.136 4.280 1.00 0.00 H new ATOM 0 HB3 TYR A 110 15.655 10.122 4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 110 13.608 11.148 5.868 1.00 0.00 H new ATOM 0 HD2 TYR A 110 16.674 13.557 4.151 1.00 0.00 H new ATOM 0 HE1 TYR A 110 12.055 13.050 5.766 1.00 0.00 H new ATOM 0 HE2 TYR A 110 15.123 15.457 4.045 1.00 0.00 H new ATOM 0 HH TYR A 110 13.085 16.207 4.455 1.00 0.00 H new TER 1704 TYR A 110