USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 781 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 52 THR OG1 : rot -36:sc= 1.72 USER MOD Set 1.2: A 54 LYS NZ :NH3+ -134:sc= 0.839! (180deg=-0.805!) USER MOD Set 2.1: A 16 HIS :FLIP no HD1:sc= -11! C(o=-11!,f=-10!) USER MOD Set 2.2: A 38 THR OG1 : rot 92:sc= 0.928 USER MOD Set 3.1: A 1 SER OG : rot 180:sc= 0.0677 USER MOD Set 3.2: A 2 ASN : amide:sc= 0.21 K(o=0.99,f=-21!) USER MOD Set 3.3: A 22 LYS NZ :NH3+ -147:sc= 0.711 (180deg=0.0365) USER MOD Single : A 1 SER N :NH3+ -125:sc= 0.105 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.624 USER MOD Single : A 5 ASN : amide:sc= -1.13 X(o=-1.1,f=-0.87) USER MOD Single : A 14 ASN : amide:sc= -5.39! C(o=-5.4!,f=-8.9!) USER MOD Single : A 20 THR OG1 : rot -160:sc= -0.0309 USER MOD Single : A 23 GLN : amide:sc= 0.785 K(o=0.79,f=-6.6!) USER MOD Single : A 26 GLN : amide:sc= -3.13 K(o=-3.1,f=-8.7!) USER MOD Single : A 30 LYS NZ :NH3+ -145:sc= -1.8 (180deg=-4.35!) USER MOD Single : A 33 ASN : amide:sc= -2.8! C(o=-2.8!,f=-4.6!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 137:sc= 1.74 (180deg=-1.08) USER MOD Single : A 41 ASN : amide:sc= -0.767! C(o=-0.77!,f=-5.1!) USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 0.384 (180deg=0.331) USER MOD Single : A 56 HIS :FLIP no HE2:sc= -8.71! C(o=-12!,f=-8.7!) USER MOD Single : A 59 LYS NZ :NH3+ -125:sc= -1.41! (180deg=-7.24!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -5.04! C(o=-5!,f=-6.1!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 159:sc= 0.747 (180deg=-0.303) USER MOD Single : A 80 SER OG : rot 180:sc= 0.146 USER MOD Single : A 81 LYS NZ :NH3+ 172:sc= -4.31! (180deg=-4.6!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 18.210 0.623 -12.263 1.00 0.00 N ATOM 2 CA SER A 1 18.323 0.713 -10.773 1.00 0.00 C ATOM 3 C SER A 1 17.815 -0.584 -10.130 1.00 0.00 C ATOM 4 O SER A 1 17.599 -1.571 -10.807 1.00 0.00 O ATOM 5 CB SER A 1 17.439 1.898 -10.366 1.00 0.00 C ATOM 6 OG SER A 1 17.747 2.275 -9.027 1.00 0.00 O ATOM 0 H1 SER A 1 19.138 0.811 -12.694 1.00 0.00 H new ATOM 0 H2 SER A 1 17.892 -0.330 -12.530 1.00 0.00 H new ATOM 0 H3 SER A 1 17.522 1.325 -12.602 1.00 0.00 H new ATOM 0 HA SER A 1 19.354 0.852 -10.447 1.00 0.00 H new ATOM 0 HB2 SER A 1 17.604 2.738 -11.040 1.00 0.00 H new ATOM 0 HB3 SER A 1 16.386 1.626 -10.447 1.00 0.00 H new ATOM 0 HG SER A 1 17.185 3.033 -8.763 1.00 0.00 H new ATOM 14 N ASN A 2 17.619 -0.588 -8.835 1.00 0.00 N ATOM 15 CA ASN A 2 17.121 -1.821 -8.152 1.00 0.00 C ATOM 16 C ASN A 2 15.743 -1.561 -7.530 1.00 0.00 C ATOM 17 O ASN A 2 15.448 -0.467 -7.079 1.00 0.00 O ATOM 18 CB ASN A 2 18.170 -2.149 -7.075 1.00 0.00 C ATOM 19 CG ASN A 2 18.210 -1.063 -5.988 1.00 0.00 C ATOM 20 OD1 ASN A 2 17.818 0.070 -6.213 1.00 0.00 O ATOM 21 ND2 ASN A 2 18.676 -1.359 -4.808 1.00 0.00 N ATOM 0 H ASN A 2 17.783 0.210 -8.221 1.00 0.00 H new ATOM 0 HA ASN A 2 16.997 -2.654 -8.844 1.00 0.00 H new ATOM 0 HB2 ASN A 2 17.940 -3.113 -6.621 1.00 0.00 H new ATOM 0 HB3 ASN A 2 19.153 -2.241 -7.537 1.00 0.00 H new ATOM 0 HD21 ASN A 2 18.711 -0.646 -4.080 1.00 0.00 H new ATOM 0 HD22 ASN A 2 19.006 -2.304 -4.612 1.00 0.00 H new ATOM 28 N THR A 3 14.886 -2.549 -7.514 1.00 0.00 N ATOM 29 CA THR A 3 13.520 -2.353 -6.933 1.00 0.00 C ATOM 30 C THR A 3 12.966 -3.698 -6.436 1.00 0.00 C ATOM 31 O THR A 3 13.407 -4.751 -6.855 1.00 0.00 O ATOM 32 CB THR A 3 12.664 -1.796 -8.085 1.00 0.00 C ATOM 33 OG1 THR A 3 13.418 -0.853 -8.843 1.00 0.00 O ATOM 34 CG2 THR A 3 11.424 -1.100 -7.520 1.00 0.00 C ATOM 0 H THR A 3 15.071 -3.484 -7.878 1.00 0.00 H new ATOM 0 HA THR A 3 13.524 -1.676 -6.079 1.00 0.00 H new ATOM 0 HB THR A 3 12.363 -2.623 -8.727 1.00 0.00 H new ATOM 0 HG1 THR A 3 12.866 -0.505 -9.574 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.822 -0.708 -8.340 1.00 0.00 H new ATOM 0 HG22 THR A 3 10.835 -1.816 -6.947 1.00 0.00 H new ATOM 0 HG23 THR A 3 11.731 -0.280 -6.871 1.00 0.00 H new ATOM 42 N ARG A 4 12.008 -3.670 -5.544 1.00 0.00 N ATOM 43 CA ARG A 4 11.433 -4.948 -5.018 1.00 0.00 C ATOM 44 C ARG A 4 10.140 -5.286 -5.767 1.00 0.00 C ATOM 45 O ARG A 4 9.240 -4.474 -5.849 1.00 0.00 O ATOM 46 CB ARG A 4 11.154 -4.681 -3.534 1.00 0.00 C ATOM 47 CG ARG A 4 12.315 -5.212 -2.685 1.00 0.00 C ATOM 48 CD ARG A 4 13.589 -4.406 -2.976 1.00 0.00 C ATOM 49 NE ARG A 4 13.860 -3.624 -1.733 1.00 0.00 N ATOM 50 CZ ARG A 4 14.557 -2.522 -1.794 1.00 0.00 C ATOM 51 NH1 ARG A 4 15.864 -2.580 -1.787 1.00 0.00 N ATOM 52 NH2 ARG A 4 13.950 -1.368 -1.870 1.00 0.00 N ATOM 0 H ARG A 4 11.599 -2.819 -5.157 1.00 0.00 H new ATOM 0 HA ARG A 4 12.106 -5.795 -5.152 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.027 -3.612 -3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 4 10.223 -5.164 -3.237 1.00 0.00 H new ATOM 0 HG2 ARG A 4 12.064 -5.142 -1.627 1.00 0.00 H new ATOM 0 HG3 ARG A 4 12.484 -6.266 -2.904 1.00 0.00 H new ATOM 0 HD2 ARG A 4 14.424 -5.065 -3.215 1.00 0.00 H new ATOM 0 HD3 ARG A 4 13.449 -3.746 -3.832 1.00 0.00 H new ATOM 0 HE ARG A 4 13.500 -3.951 -0.836 1.00 0.00 H new ATOM 0 HH11 ARG A 4 16.334 -3.484 -1.734 1.00 0.00 H new ATOM 0 HH12 ARG A 4 16.413 -1.722 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 4 12.931 -1.328 -1.882 1.00 0.00 H new ATOM 0 HH22 ARG A 4 14.495 -0.507 -1.918 1.00 0.00 H new ATOM 66 N ASN A 5 10.051 -6.472 -6.321 1.00 0.00 N ATOM 67 CA ASN A 5 8.823 -6.874 -7.086 1.00 0.00 C ATOM 68 C ASN A 5 7.690 -7.265 -6.132 1.00 0.00 C ATOM 69 O ASN A 5 7.828 -8.178 -5.344 1.00 0.00 O ATOM 70 CB ASN A 5 9.255 -8.089 -7.917 1.00 0.00 C ATOM 71 CG ASN A 5 8.465 -8.144 -9.230 1.00 0.00 C ATOM 72 OD1 ASN A 5 9.043 -8.236 -10.292 1.00 0.00 O ATOM 73 ND2 ASN A 5 7.160 -8.104 -9.209 1.00 0.00 N ATOM 0 H ASN A 5 10.780 -7.184 -6.277 1.00 0.00 H new ATOM 0 HA ASN A 5 8.447 -6.059 -7.704 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.323 -8.032 -8.129 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.092 -9.004 -7.348 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.634 -8.150 -10.082 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.666 -8.027 -8.320 1.00 0.00 H new ATOM 80 N PHE A 6 6.566 -6.599 -6.215 1.00 0.00 N ATOM 81 CA PHE A 6 5.421 -6.943 -5.322 1.00 0.00 C ATOM 82 C PHE A 6 4.290 -7.600 -6.125 1.00 0.00 C ATOM 83 O PHE A 6 4.302 -7.608 -7.345 1.00 0.00 O ATOM 84 CB PHE A 6 4.979 -5.615 -4.710 1.00 0.00 C ATOM 85 CG PHE A 6 5.894 -5.282 -3.553 1.00 0.00 C ATOM 86 CD1 PHE A 6 5.584 -5.726 -2.260 1.00 0.00 C ATOM 87 CD2 PHE A 6 7.059 -4.538 -3.774 1.00 0.00 C ATOM 88 CE1 PHE A 6 6.438 -5.425 -1.193 1.00 0.00 C ATOM 89 CE2 PHE A 6 7.911 -4.237 -2.707 1.00 0.00 C ATOM 90 CZ PHE A 6 7.601 -4.679 -1.416 1.00 0.00 C ATOM 0 H PHE A 6 6.393 -5.831 -6.864 1.00 0.00 H new ATOM 0 HA PHE A 6 5.698 -7.662 -4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.015 -4.824 -5.459 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.947 -5.683 -4.367 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.686 -6.300 -2.087 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.300 -4.196 -4.770 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.200 -5.768 -0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.809 -3.663 -2.879 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.259 -4.445 -0.592 1.00 0.00 H new ATOM 100 N VAL A 7 3.332 -8.182 -5.445 1.00 0.00 N ATOM 101 CA VAL A 7 2.210 -8.884 -6.157 1.00 0.00 C ATOM 102 C VAL A 7 0.849 -8.624 -5.474 1.00 0.00 C ATOM 103 O VAL A 7 0.712 -8.780 -4.273 1.00 0.00 O ATOM 104 CB VAL A 7 2.574 -10.376 -6.055 1.00 0.00 C ATOM 105 CG1 VAL A 7 3.851 -10.656 -6.851 1.00 0.00 C ATOM 106 CG2 VAL A 7 2.813 -10.758 -4.585 1.00 0.00 C ATOM 0 H VAL A 7 3.276 -8.203 -4.427 1.00 0.00 H new ATOM 0 HA VAL A 7 2.103 -8.535 -7.184 1.00 0.00 H new ATOM 0 HB VAL A 7 1.750 -10.964 -6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.103 -11.714 -6.774 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.692 -10.396 -7.897 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.669 -10.058 -6.449 1.00 0.00 H new ATOM 0 HG21 VAL A 7 3.070 -11.815 -4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.631 -10.161 -4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.908 -10.569 -4.008 1.00 0.00 H new ATOM 116 N LEU A 8 -0.157 -8.225 -6.229 1.00 0.00 N ATOM 117 CA LEU A 8 -1.504 -7.961 -5.611 1.00 0.00 C ATOM 118 C LEU A 8 -2.620 -7.871 -6.683 1.00 0.00 C ATOM 119 O LEU A 8 -2.358 -7.611 -7.846 1.00 0.00 O ATOM 120 CB LEU A 8 -1.347 -6.621 -4.866 1.00 0.00 C ATOM 121 CG LEU A 8 -0.651 -5.581 -5.763 1.00 0.00 C ATOM 122 CD1 LEU A 8 -1.169 -4.182 -5.426 1.00 0.00 C ATOM 123 CD2 LEU A 8 0.864 -5.617 -5.533 1.00 0.00 C ATOM 0 H LEU A 8 -0.104 -8.072 -7.236 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.802 -8.771 -4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.326 -6.250 -4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.767 -6.771 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.867 -5.817 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.675 -3.448 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.245 -4.142 -5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.957 -3.957 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.347 -4.878 -6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.079 -5.390 -4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.245 -6.609 -5.774 1.00 0.00 H new ATOM 135 N ARG A 9 -3.874 -8.058 -6.288 1.00 0.00 N ATOM 136 CA ARG A 9 -5.009 -7.951 -7.279 1.00 0.00 C ATOM 137 C ARG A 9 -6.257 -7.236 -6.689 1.00 0.00 C ATOM 138 O ARG A 9 -6.895 -7.721 -5.788 1.00 0.00 O ATOM 139 CB ARG A 9 -5.363 -9.382 -7.676 1.00 0.00 C ATOM 140 CG ARG A 9 -6.175 -9.341 -8.978 1.00 0.00 C ATOM 141 CD ARG A 9 -7.325 -10.350 -8.913 1.00 0.00 C ATOM 142 NE ARG A 9 -6.737 -11.650 -9.354 1.00 0.00 N ATOM 143 CZ ARG A 9 -6.240 -11.775 -10.557 1.00 0.00 C ATOM 144 NH1 ARG A 9 -7.030 -12.059 -11.559 1.00 0.00 N ATOM 145 NH2 ARG A 9 -4.958 -11.614 -10.753 1.00 0.00 N ATOM 0 H ARG A 9 -4.154 -8.278 -5.332 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.697 -7.348 -8.132 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.457 -9.972 -7.813 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.939 -9.863 -6.885 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.570 -8.338 -9.138 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.529 -9.568 -9.826 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.727 -10.423 -7.902 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.148 -10.050 -9.562 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.723 -12.444 -8.714 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.030 -12.182 -11.401 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.646 -12.157 -12.499 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.346 -11.391 -9.968 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.569 -11.711 -11.691 1.00 0.00 H new ATOM 159 N ASP A 10 -6.578 -6.088 -7.235 1.00 0.00 N ATOM 160 CA ASP A 10 -7.743 -5.235 -6.830 1.00 0.00 C ATOM 161 C ASP A 10 -9.051 -5.831 -7.293 1.00 0.00 C ATOM 162 O ASP A 10 -9.185 -7.034 -7.404 1.00 0.00 O ATOM 163 CB ASP A 10 -7.546 -3.936 -7.594 1.00 0.00 C ATOM 164 CG ASP A 10 -7.832 -2.749 -6.698 1.00 0.00 C ATOM 165 OD1 ASP A 10 -7.249 -2.672 -5.637 1.00 0.00 O ATOM 166 OD2 ASP A 10 -8.596 -1.910 -7.116 1.00 0.00 O ATOM 0 H ASP A 10 -6.039 -5.681 -8.000 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.783 -5.126 -5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.524 -3.879 -7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.206 -3.913 -8.461 1.00 0.00 H new ATOM 171 N GLU A 11 -10.046 -4.985 -7.499 1.00 0.00 N ATOM 172 CA GLU A 11 -11.384 -5.488 -7.904 1.00 0.00 C ATOM 173 C GLU A 11 -11.939 -6.147 -6.668 1.00 0.00 C ATOM 174 O GLU A 11 -12.382 -7.279 -6.652 1.00 0.00 O ATOM 175 CB GLU A 11 -11.176 -6.488 -9.062 1.00 0.00 C ATOM 176 CG GLU A 11 -10.334 -5.844 -10.179 1.00 0.00 C ATOM 177 CD GLU A 11 -8.955 -6.518 -10.268 1.00 0.00 C ATOM 178 OE1 GLU A 11 -8.910 -7.733 -10.390 1.00 0.00 O ATOM 179 OE2 GLU A 11 -7.962 -5.802 -10.232 1.00 0.00 O ATOM 0 H GLU A 11 -9.976 -3.972 -7.401 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.071 -4.719 -8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.678 -7.384 -8.693 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.142 -6.801 -9.459 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.853 -5.936 -11.133 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.213 -4.779 -9.983 1.00 0.00 H new ATOM 186 N ASP A 12 -11.874 -5.371 -5.612 1.00 0.00 N ATOM 187 CA ASP A 12 -12.340 -5.762 -4.284 1.00 0.00 C ATOM 188 C ASP A 12 -11.628 -7.003 -3.755 1.00 0.00 C ATOM 189 O ASP A 12 -12.010 -7.538 -2.734 1.00 0.00 O ATOM 190 CB ASP A 12 -13.785 -6.106 -4.492 1.00 0.00 C ATOM 191 CG ASP A 12 -14.626 -4.857 -4.799 1.00 0.00 C ATOM 192 OD1 ASP A 12 -14.248 -3.776 -4.372 1.00 0.00 O ATOM 193 OD2 ASP A 12 -15.646 -5.006 -5.453 1.00 0.00 O ATOM 0 H ASP A 12 -11.489 -4.427 -5.643 1.00 0.00 H new ATOM 0 HA ASP A 12 -12.157 -4.965 -3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.876 -6.817 -5.313 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.175 -6.597 -3.600 1.00 0.00 H new ATOM 198 N GLY A 13 -10.626 -7.505 -4.428 1.00 0.00 N ATOM 199 CA GLY A 13 -9.974 -8.728 -3.896 1.00 0.00 C ATOM 200 C GLY A 13 -8.823 -8.341 -2.983 1.00 0.00 C ATOM 201 O GLY A 13 -8.917 -8.397 -1.773 1.00 0.00 O ATOM 0 H GLY A 13 -10.243 -7.132 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.699 -9.329 -3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.607 -9.343 -4.718 1.00 0.00 H new ATOM 205 N ASN A 14 -7.733 -7.958 -3.571 1.00 0.00 N ATOM 206 CA ASN A 14 -6.542 -7.556 -2.771 1.00 0.00 C ATOM 207 C ASN A 14 -6.169 -6.075 -3.012 1.00 0.00 C ATOM 208 O ASN A 14 -6.511 -5.193 -2.257 1.00 0.00 O ATOM 209 CB ASN A 14 -5.436 -8.484 -3.282 1.00 0.00 C ATOM 210 CG ASN A 14 -5.551 -9.858 -2.626 1.00 0.00 C ATOM 211 OD1 ASN A 14 -6.618 -10.293 -2.257 1.00 0.00 O ATOM 212 ND2 ASN A 14 -4.486 -10.578 -2.484 1.00 0.00 N ATOM 0 H ASN A 14 -7.610 -7.904 -4.582 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.714 -7.642 -1.698 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.507 -8.584 -4.365 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.460 -8.051 -3.065 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.550 -11.505 -2.064 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.583 -10.219 -2.792 1.00 0.00 H new ATOM 219 N GLU A 15 -5.462 -5.848 -4.096 1.00 0.00 N ATOM 220 CA GLU A 15 -4.991 -4.490 -4.530 1.00 0.00 C ATOM 221 C GLU A 15 -4.445 -4.686 -5.937 1.00 0.00 C ATOM 222 O GLU A 15 -3.678 -5.591 -6.139 1.00 0.00 O ATOM 223 CB GLU A 15 -3.831 -4.116 -3.583 1.00 0.00 C ATOM 224 CG GLU A 15 -4.288 -3.230 -2.418 1.00 0.00 C ATOM 225 CD GLU A 15 -3.131 -3.093 -1.408 1.00 0.00 C ATOM 226 OE1 GLU A 15 -2.957 -3.996 -0.603 1.00 0.00 O ATOM 227 OE2 GLU A 15 -2.428 -2.091 -1.463 1.00 0.00 O ATOM 0 H GLU A 15 -5.177 -6.593 -4.732 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.764 -3.722 -4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.380 -5.027 -3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.057 -3.597 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.585 -2.248 -2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.161 -3.666 -1.933 1.00 0.00 H new ATOM 234 N HIS A 16 -4.805 -3.922 -6.930 1.00 0.00 N ATOM 235 CA HIS A 16 -4.207 -4.278 -8.264 1.00 0.00 C ATOM 236 C HIS A 16 -2.823 -3.744 -8.421 1.00 0.00 C ATOM 237 O HIS A 16 -2.553 -2.570 -8.329 1.00 0.00 O ATOM 238 CB HIS A 16 -5.104 -3.897 -9.448 1.00 0.00 C ATOM 239 CG HIS A 16 -5.608 -2.466 -9.468 1.00 0.00 C ATOM 240 ND1 HIS A 16 -6.012 -1.561 -8.495 1.00 0.00 N flip ATOM 241 CD2 HIS A 16 -5.799 -1.808 -10.692 1.00 0.00 C flip ATOM 242 CE1 HIS A 16 -6.428 -0.408 -9.136 1.00 0.00 C flip ATOM 243 NE2 HIS A 16 -6.292 -0.586 -10.434 1.00 0.00 N flip ATOM 0 H HIS A 16 -5.438 -3.123 -6.896 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.137 -5.366 -8.276 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.552 -4.080 -10.370 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.966 -4.565 -9.455 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.587 -2.213 -11.670 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -6.800 0.484 -8.655 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -6.528 0.107 -11.144 1.00 0.00 H new ATOM 252 N GLY A 17 -1.935 -4.644 -8.646 1.00 0.00 N ATOM 253 CA GLY A 17 -0.526 -4.246 -8.814 1.00 0.00 C ATOM 254 C GLY A 17 0.365 -5.433 -9.147 1.00 0.00 C ATOM 255 O GLY A 17 0.487 -6.376 -8.388 1.00 0.00 O ATOM 0 H GLY A 17 -2.120 -5.644 -8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.451 -3.503 -9.608 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.171 -3.772 -7.899 1.00 0.00 H new ATOM 259 N VAL A 18 1.046 -5.354 -10.242 1.00 0.00 N ATOM 260 CA VAL A 18 2.008 -6.423 -10.607 1.00 0.00 C ATOM 261 C VAL A 18 3.260 -5.723 -11.133 1.00 0.00 C ATOM 262 O VAL A 18 3.414 -5.475 -12.313 1.00 0.00 O ATOM 263 CB VAL A 18 1.383 -7.253 -11.715 1.00 0.00 C ATOM 264 CG1 VAL A 18 1.266 -8.708 -11.262 1.00 0.00 C ATOM 265 CG2 VAL A 18 -0.008 -6.729 -12.106 1.00 0.00 C ATOM 0 H VAL A 18 0.980 -4.587 -10.911 1.00 0.00 H new ATOM 0 HA VAL A 18 2.253 -7.068 -9.763 1.00 0.00 H new ATOM 0 HB VAL A 18 2.029 -7.180 -12.590 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.817 -9.302 -12.058 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.257 -9.098 -11.033 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.640 -8.763 -10.372 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.420 -7.350 -12.901 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.667 -6.765 -11.239 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.076 -5.700 -12.456 1.00 0.00 H new ATOM 275 N PHE A 19 4.124 -5.377 -10.239 1.00 0.00 N ATOM 276 CA PHE A 19 5.385 -4.642 -10.600 1.00 0.00 C ATOM 277 C PHE A 19 6.267 -4.467 -9.354 1.00 0.00 C ATOM 278 O PHE A 19 5.987 -5.021 -8.308 1.00 0.00 O ATOM 279 CB PHE A 19 4.986 -3.257 -11.183 1.00 0.00 C ATOM 280 CG PHE A 19 3.600 -2.800 -10.747 1.00 0.00 C ATOM 281 CD1 PHE A 19 3.117 -3.086 -9.464 1.00 0.00 C ATOM 282 CD2 PHE A 19 2.805 -2.069 -11.642 1.00 0.00 C ATOM 283 CE1 PHE A 19 1.847 -2.649 -9.081 1.00 0.00 C ATOM 284 CE2 PHE A 19 1.534 -1.628 -11.253 1.00 0.00 C ATOM 285 CZ PHE A 19 1.056 -1.919 -9.972 1.00 0.00 C ATOM 0 H PHE A 19 4.021 -5.571 -9.243 1.00 0.00 H new ATOM 0 HA PHE A 19 5.955 -5.206 -11.339 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.721 -2.514 -10.873 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.020 -3.304 -12.271 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.727 -3.645 -8.770 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.174 -1.846 -12.632 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.475 -2.876 -8.093 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.924 -1.063 -11.942 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.076 -1.580 -9.671 1.00 0.00 H new ATOM 295 N THR A 20 7.336 -3.707 -9.456 1.00 0.00 N ATOM 296 CA THR A 20 8.236 -3.512 -8.271 1.00 0.00 C ATOM 297 C THR A 20 8.119 -2.085 -7.687 1.00 0.00 C ATOM 298 O THR A 20 7.795 -1.139 -8.380 1.00 0.00 O ATOM 299 CB THR A 20 9.663 -3.761 -8.795 1.00 0.00 C ATOM 300 OG1 THR A 20 10.032 -2.730 -9.707 1.00 0.00 O ATOM 301 CG2 THR A 20 9.741 -5.122 -9.501 1.00 0.00 C ATOM 0 H THR A 20 7.622 -3.217 -10.303 1.00 0.00 H new ATOM 0 HA THR A 20 7.966 -4.191 -7.462 1.00 0.00 H new ATOM 0 HB THR A 20 10.350 -3.759 -7.949 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.774 -3.039 -10.267 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.755 -5.285 -9.866 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.477 -5.912 -8.798 1.00 0.00 H new ATOM 0 HG23 THR A 20 9.046 -5.137 -10.341 1.00 0.00 H new ATOM 309 N GLY A 21 8.405 -1.934 -6.411 1.00 0.00 N ATOM 310 CA GLY A 21 8.347 -0.581 -5.751 1.00 0.00 C ATOM 311 C GLY A 21 9.589 -0.424 -4.872 1.00 0.00 C ATOM 312 O GLY A 21 9.918 -1.308 -4.104 1.00 0.00 O ATOM 0 H GLY A 21 8.679 -2.697 -5.792 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.311 0.207 -6.503 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.442 -0.490 -5.150 1.00 0.00 H new ATOM 316 N LYS A 22 10.288 0.683 -4.973 1.00 0.00 N ATOM 317 CA LYS A 22 11.512 0.873 -4.126 1.00 0.00 C ATOM 318 C LYS A 22 11.133 0.715 -2.648 1.00 0.00 C ATOM 319 O LYS A 22 11.734 -0.056 -1.919 1.00 0.00 O ATOM 320 CB LYS A 22 12.003 2.298 -4.420 1.00 0.00 C ATOM 321 CG LYS A 22 13.536 2.318 -4.469 1.00 0.00 C ATOM 322 CD LYS A 22 14.024 1.593 -5.730 1.00 0.00 C ATOM 323 CE LYS A 22 15.220 2.343 -6.336 1.00 0.00 C ATOM 324 NZ LYS A 22 16.407 1.929 -5.527 1.00 0.00 N ATOM 0 H LYS A 22 10.067 1.457 -5.599 1.00 0.00 H new ATOM 0 HA LYS A 22 12.290 0.142 -4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.595 2.645 -5.369 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.645 2.982 -3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 22 13.896 3.347 -4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.944 1.836 -3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.312 0.571 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.216 1.530 -6.459 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.353 2.085 -7.387 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.071 3.422 -6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.079 2.721 -5.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.099 1.662 -4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.870 1.116 -5.981 1.00 0.00 H new ATOM 338 N GLN A 23 10.116 1.414 -2.217 1.00 0.00 N ATOM 339 CA GLN A 23 9.647 1.293 -0.806 1.00 0.00 C ATOM 340 C GLN A 23 8.147 0.979 -0.837 1.00 0.00 C ATOM 341 O GLN A 23 7.389 1.695 -1.461 1.00 0.00 O ATOM 342 CB GLN A 23 9.915 2.657 -0.158 1.00 0.00 C ATOM 343 CG GLN A 23 11.427 2.875 -0.008 1.00 0.00 C ATOM 344 CD GLN A 23 11.912 2.323 1.338 1.00 0.00 C ATOM 345 OE1 GLN A 23 11.203 2.372 2.327 1.00 0.00 O ATOM 346 NE2 GLN A 23 13.102 1.803 1.423 1.00 0.00 N ATOM 0 H GLN A 23 9.585 2.071 -2.789 1.00 0.00 H new ATOM 0 HA GLN A 23 10.151 0.505 -0.246 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.483 3.450 -0.768 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.433 2.707 0.818 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.955 2.381 -0.823 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.657 3.938 -0.077 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.700 1.760 0.598 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.437 1.439 2.315 1.00 0.00 H new ATOM 355 N PRO A 24 7.765 -0.097 -0.196 1.00 0.00 N ATOM 356 CA PRO A 24 6.337 -0.515 -0.200 1.00 0.00 C ATOM 357 C PRO A 24 5.447 0.465 0.575 1.00 0.00 C ATOM 358 O PRO A 24 4.241 0.483 0.389 1.00 0.00 O ATOM 359 CB PRO A 24 6.364 -1.887 0.470 1.00 0.00 C ATOM 360 CG PRO A 24 7.601 -1.879 1.309 1.00 0.00 C ATOM 361 CD PRO A 24 8.602 -1.014 0.590 1.00 0.00 C ATOM 0 HA PRO A 24 5.915 -0.538 -1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.474 -2.047 1.079 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.393 -2.688 -0.269 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.392 -1.485 2.304 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.986 -2.890 1.441 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.241 -0.474 1.289 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.258 -1.606 -0.049 1.00 0.00 H new ATOM 369 N ARG A 25 6.015 1.270 1.441 1.00 0.00 N ATOM 370 CA ARG A 25 5.181 2.232 2.217 1.00 0.00 C ATOM 371 C ARG A 25 4.905 3.500 1.394 1.00 0.00 C ATOM 372 O ARG A 25 3.784 3.756 0.998 1.00 0.00 O ATOM 373 CB ARG A 25 6.013 2.563 3.463 1.00 0.00 C ATOM 374 CG ARG A 25 5.882 1.435 4.494 1.00 0.00 C ATOM 375 CD ARG A 25 5.765 2.039 5.899 1.00 0.00 C ATOM 376 NE ARG A 25 6.257 0.985 6.839 1.00 0.00 N ATOM 377 CZ ARG A 25 5.818 0.948 8.074 1.00 0.00 C ATOM 378 NH1 ARG A 25 5.550 2.061 8.713 1.00 0.00 N ATOM 379 NH2 ARG A 25 5.655 -0.204 8.669 1.00 0.00 N ATOM 0 H ARG A 25 7.015 1.300 1.641 1.00 0.00 H new ATOM 0 HA ARG A 25 4.208 1.814 2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.059 2.696 3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.676 3.504 3.896 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.005 0.826 4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.749 0.776 4.441 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.361 2.948 5.985 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.734 2.312 6.123 1.00 0.00 H new ATOM 0 HE ARG A 25 6.935 0.294 6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.683 2.960 8.249 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.209 2.028 9.674 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.869 -1.069 8.173 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.314 -0.238 9.630 1.00 0.00 H new ATOM 393 N GLN A 26 5.912 4.297 1.131 1.00 0.00 N ATOM 394 CA GLN A 26 5.698 5.551 0.348 1.00 0.00 C ATOM 395 C GLN A 26 5.115 5.273 -1.037 1.00 0.00 C ATOM 396 O GLN A 26 4.290 6.028 -1.512 1.00 0.00 O ATOM 397 CB GLN A 26 7.083 6.198 0.263 1.00 0.00 C ATOM 398 CG GLN A 26 7.923 5.546 -0.839 1.00 0.00 C ATOM 399 CD GLN A 26 9.327 6.148 -0.818 1.00 0.00 C ATOM 400 OE1 GLN A 26 10.247 5.558 -0.296 1.00 0.00 O ATOM 401 NE2 GLN A 26 9.533 7.310 -1.366 1.00 0.00 N ATOM 0 H GLN A 26 6.874 4.132 1.426 1.00 0.00 H new ATOM 0 HA GLN A 26 4.970 6.206 0.826 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.979 7.265 0.064 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.594 6.101 1.221 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.974 4.468 -0.686 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.459 5.708 -1.812 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.761 7.810 -1.807 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.467 7.721 -1.355 1.00 0.00 H new ATOM 410 N ALA A 27 5.514 4.218 -1.697 1.00 0.00 N ATOM 411 CA ALA A 27 4.939 3.955 -3.031 1.00 0.00 C ATOM 412 C ALA A 27 3.463 3.536 -2.886 1.00 0.00 C ATOM 413 O ALA A 27 2.684 3.683 -3.803 1.00 0.00 O ATOM 414 CB ALA A 27 5.806 2.836 -3.591 1.00 0.00 C ATOM 0 H ALA A 27 6.203 3.541 -1.369 1.00 0.00 H new ATOM 0 HA ALA A 27 4.938 4.823 -3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.455 2.568 -4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.841 3.172 -3.649 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.743 1.966 -2.938 1.00 0.00 H new ATOM 420 N ALA A 28 3.070 3.033 -1.732 1.00 0.00 N ATOM 421 CA ALA A 28 1.643 2.620 -1.535 1.00 0.00 C ATOM 422 C ALA A 28 0.682 3.787 -1.755 1.00 0.00 C ATOM 423 O ALA A 28 -0.210 3.708 -2.581 1.00 0.00 O ATOM 424 CB ALA A 28 1.544 2.141 -0.085 1.00 0.00 C ATOM 0 H ALA A 28 3.676 2.893 -0.924 1.00 0.00 H new ATOM 0 HA ALA A 28 1.368 1.846 -2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.522 1.824 0.124 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.223 1.302 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.816 2.955 0.587 1.00 0.00 H new ATOM 430 N LEU A 29 0.830 4.859 -1.012 1.00 0.00 N ATOM 431 CA LEU A 29 -0.116 6.002 -1.191 1.00 0.00 C ATOM 432 C LEU A 29 -0.118 6.481 -2.647 1.00 0.00 C ATOM 433 O LEU A 29 -1.161 6.629 -3.244 1.00 0.00 O ATOM 434 CB LEU A 29 0.323 7.107 -0.213 1.00 0.00 C ATOM 435 CG LEU A 29 1.758 7.554 -0.464 1.00 0.00 C ATOM 436 CD1 LEU A 29 1.734 8.845 -1.280 1.00 0.00 C ATOM 437 CD2 LEU A 29 2.444 7.818 0.878 1.00 0.00 C ATOM 0 H LEU A 29 1.551 4.990 -0.303 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.142 5.705 -0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.345 7.963 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.230 6.743 0.810 1.00 0.00 H new ATOM 0 HG LEU A 29 2.302 6.780 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.755 9.176 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.231 8.666 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.198 9.616 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.471 8.138 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.906 8.600 1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.444 6.904 1.472 1.00 0.00 H new ATOM 449 N LYS A 30 1.022 6.732 -3.230 1.00 0.00 N ATOM 450 CA LYS A 30 1.013 7.205 -4.658 1.00 0.00 C ATOM 451 C LYS A 30 0.581 6.101 -5.656 1.00 0.00 C ATOM 452 O LYS A 30 -0.085 6.377 -6.647 1.00 0.00 O ATOM 453 CB LYS A 30 2.445 7.641 -4.954 1.00 0.00 C ATOM 454 CG LYS A 30 2.414 9.070 -5.488 1.00 0.00 C ATOM 455 CD LYS A 30 2.796 10.037 -4.373 1.00 0.00 C ATOM 456 CE LYS A 30 4.296 9.930 -4.114 1.00 0.00 C ATOM 457 NZ LYS A 30 4.914 10.944 -5.021 1.00 0.00 N ATOM 0 H LYS A 30 1.942 6.636 -2.799 1.00 0.00 H new ATOM 0 HA LYS A 30 0.289 8.011 -4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.052 7.587 -4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.901 6.973 -5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.105 9.172 -6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.419 9.307 -5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.534 11.057 -4.654 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.240 9.803 -3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.533 10.137 -3.070 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.664 8.928 -4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.828 10.589 -5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.282 11.118 -5.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.062 11.832 -4.500 1.00 0.00 H new ATOM 471 N ALA A 31 0.977 4.872 -5.437 1.00 0.00 N ATOM 472 CA ALA A 31 0.620 3.780 -6.403 1.00 0.00 C ATOM 473 C ALA A 31 -0.889 3.574 -6.513 1.00 0.00 C ATOM 474 O ALA A 31 -1.420 3.443 -7.605 1.00 0.00 O ATOM 475 CB ALA A 31 1.292 2.515 -5.867 1.00 0.00 C ATOM 0 H ALA A 31 1.531 4.575 -4.634 1.00 0.00 H new ATOM 0 HA ALA A 31 0.959 4.035 -7.407 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.070 1.677 -6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.370 2.667 -5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.915 2.298 -4.868 1.00 0.00 H new ATOM 481 N ALA A 32 -1.593 3.539 -5.410 1.00 0.00 N ATOM 482 CA ALA A 32 -3.072 3.337 -5.508 1.00 0.00 C ATOM 483 C ALA A 32 -3.690 4.489 -6.264 1.00 0.00 C ATOM 484 O ALA A 32 -4.631 4.298 -7.007 1.00 0.00 O ATOM 485 CB ALA A 32 -3.605 3.298 -4.089 1.00 0.00 C ATOM 0 H ALA A 32 -1.220 3.639 -4.466 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.313 2.415 -6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.685 3.152 -4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.138 2.476 -3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.376 4.239 -3.588 1.00 0.00 H new ATOM 491 N ASN A 33 -3.144 5.676 -6.097 1.00 0.00 N ATOM 492 CA ASN A 33 -3.680 6.871 -6.821 1.00 0.00 C ATOM 493 C ASN A 33 -4.022 6.467 -8.245 1.00 0.00 C ATOM 494 O ASN A 33 -5.099 6.751 -8.744 1.00 0.00 O ATOM 495 CB ASN A 33 -2.546 7.910 -6.807 1.00 0.00 C ATOM 496 CG ASN A 33 -3.127 9.323 -6.675 1.00 0.00 C ATOM 497 OD1 ASN A 33 -2.932 9.984 -5.674 1.00 0.00 O ATOM 498 ND2 ASN A 33 -3.830 9.824 -7.653 1.00 0.00 N ATOM 0 H ASN A 33 -2.348 5.865 -5.488 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.582 7.274 -6.360 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.868 7.708 -5.978 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.961 7.833 -7.723 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.213 10.766 -7.575 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.997 9.274 -8.495 1.00 0.00 H new ATOM 505 N ARG A 34 -3.114 5.791 -8.898 1.00 0.00 N ATOM 506 CA ARG A 34 -3.400 5.346 -10.284 1.00 0.00 C ATOM 507 C ARG A 34 -3.897 3.881 -10.334 1.00 0.00 C ATOM 508 O ARG A 34 -5.039 3.622 -10.663 1.00 0.00 O ATOM 509 CB ARG A 34 -2.068 5.503 -11.034 1.00 0.00 C ATOM 510 CG ARG A 34 -2.199 4.954 -12.461 1.00 0.00 C ATOM 511 CD ARG A 34 -3.063 5.898 -13.307 1.00 0.00 C ATOM 512 NE ARG A 34 -2.111 6.893 -13.885 1.00 0.00 N ATOM 513 CZ ARG A 34 -2.392 8.167 -13.842 1.00 0.00 C ATOM 514 NH1 ARG A 34 -2.119 8.858 -12.768 1.00 0.00 N ATOM 515 NH2 ARG A 34 -2.942 8.743 -14.877 1.00 0.00 N ATOM 0 H ARG A 34 -2.198 5.532 -8.533 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.200 5.936 -10.732 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.781 6.554 -11.065 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.278 4.972 -10.503 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.212 4.849 -12.911 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.646 3.960 -12.438 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.587 5.353 -14.092 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.822 6.388 -12.698 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.241 6.577 -14.313 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.687 8.402 -11.964 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.338 9.854 -12.733 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.150 8.198 -15.714 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.164 9.738 -14.849 1.00 0.00 H new ATOM 529 N GLY A 35 -3.020 2.927 -10.105 1.00 0.00 N ATOM 530 CA GLY A 35 -3.410 1.484 -10.240 1.00 0.00 C ATOM 531 C GLY A 35 -3.404 0.626 -8.962 1.00 0.00 C ATOM 532 O GLY A 35 -3.683 -0.538 -9.072 1.00 0.00 O ATOM 0 H GLY A 35 -2.051 3.087 -9.830 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.412 1.444 -10.668 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.737 1.019 -10.961 1.00 0.00 H new ATOM 536 N SER A 36 -3.057 1.088 -7.791 1.00 0.00 N ATOM 537 CA SER A 36 -3.032 0.113 -6.633 1.00 0.00 C ATOM 538 C SER A 36 -4.408 -0.008 -5.994 1.00 0.00 C ATOM 539 O SER A 36 -4.601 -0.738 -5.041 1.00 0.00 O ATOM 540 CB SER A 36 -1.993 0.619 -5.629 1.00 0.00 C ATOM 541 OG SER A 36 -1.307 -0.496 -5.061 1.00 0.00 O ATOM 0 H SER A 36 -2.798 2.051 -7.578 1.00 0.00 H new ATOM 0 HA SER A 36 -2.762 -0.885 -6.979 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.285 1.283 -6.124 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.480 1.199 -4.845 1.00 0.00 H new ATOM 0 HG SER A 36 -0.639 -0.177 -4.418 1.00 0.00 H new ATOM 547 N GLY A 37 -5.356 0.732 -6.484 1.00 0.00 N ATOM 548 CA GLY A 37 -6.704 0.698 -5.886 1.00 0.00 C ATOM 549 C GLY A 37 -7.716 1.285 -6.867 1.00 0.00 C ATOM 550 O GLY A 37 -7.594 2.427 -7.260 1.00 0.00 O ATOM 0 H GLY A 37 -5.250 1.362 -7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.977 -0.328 -5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.714 1.265 -4.955 1.00 0.00 H new ATOM 554 N THR A 38 -8.707 0.536 -7.296 1.00 0.00 N ATOM 555 CA THR A 38 -9.673 1.119 -8.259 1.00 0.00 C ATOM 556 C THR A 38 -10.701 1.961 -7.509 1.00 0.00 C ATOM 557 O THR A 38 -11.436 2.732 -8.098 1.00 0.00 O ATOM 558 CB THR A 38 -10.323 -0.078 -8.966 1.00 0.00 C ATOM 559 OG1 THR A 38 -9.303 -0.981 -9.382 1.00 0.00 O ATOM 560 CG2 THR A 38 -11.107 0.404 -10.190 1.00 0.00 C ATOM 0 H THR A 38 -8.880 -0.432 -7.023 1.00 0.00 H new ATOM 0 HA THR A 38 -9.198 1.781 -8.983 1.00 0.00 H new ATOM 0 HB THR A 38 -11.006 -0.579 -8.280 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.157 -1.653 -8.684 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.566 -0.450 -10.688 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.884 1.100 -9.874 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.430 0.906 -10.881 1.00 0.00 H new ATOM 568 N LYS A 39 -10.767 1.789 -6.210 1.00 0.00 N ATOM 569 CA LYS A 39 -11.740 2.529 -5.352 1.00 0.00 C ATOM 570 C LYS A 39 -13.126 1.956 -5.605 1.00 0.00 C ATOM 571 O LYS A 39 -13.752 1.410 -4.719 1.00 0.00 O ATOM 572 CB LYS A 39 -11.676 4.012 -5.728 1.00 0.00 C ATOM 573 CG LYS A 39 -12.498 4.827 -4.716 1.00 0.00 C ATOM 574 CD LYS A 39 -13.274 5.930 -5.442 1.00 0.00 C ATOM 575 CE LYS A 39 -14.444 6.406 -4.568 1.00 0.00 C ATOM 576 NZ LYS A 39 -13.830 7.104 -3.395 1.00 0.00 N ATOM 0 H LYS A 39 -10.166 1.145 -5.696 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.506 2.426 -4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -10.641 4.354 -5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.066 4.161 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.190 4.173 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -11.838 5.267 -3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.612 6.766 -5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.649 5.557 -6.395 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.097 7.079 -5.124 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.056 5.564 -4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.357 7.978 -3.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.866 6.481 -2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.840 7.338 -3.610 1.00 0.00 H new ATOM 590 N ALA A 40 -13.575 2.013 -6.830 1.00 0.00 N ATOM 591 CA ALA A 40 -14.880 1.389 -7.157 1.00 0.00 C ATOM 592 C ALA A 40 -14.713 -0.126 -6.981 1.00 0.00 C ATOM 593 O ALA A 40 -15.675 -0.859 -6.857 1.00 0.00 O ATOM 594 CB ALA A 40 -15.156 1.746 -8.621 1.00 0.00 C ATOM 0 H ALA A 40 -13.096 2.462 -7.610 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.702 1.728 -6.526 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.109 1.314 -8.927 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -15.197 2.830 -8.730 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.359 1.348 -9.249 1.00 0.00 H new ATOM 600 N ASN A 41 -13.474 -0.595 -6.963 1.00 0.00 N ATOM 601 CA ASN A 41 -13.211 -2.049 -6.780 1.00 0.00 C ATOM 602 C ASN A 41 -11.774 -2.288 -6.280 1.00 0.00 C ATOM 603 O ASN A 41 -10.977 -2.839 -6.996 1.00 0.00 O ATOM 604 CB ASN A 41 -13.319 -2.582 -8.204 1.00 0.00 C ATOM 605 CG ASN A 41 -14.387 -3.676 -8.287 1.00 0.00 C ATOM 606 OD1 ASN A 41 -14.124 -4.762 -8.760 1.00 0.00 O ATOM 607 ND2 ASN A 41 -15.596 -3.428 -7.857 1.00 0.00 N ATOM 0 H ASN A 41 -12.639 -0.019 -7.069 1.00 0.00 H new ATOM 0 HA ASN A 41 -13.885 -2.513 -6.060 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -13.569 -1.769 -8.885 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.356 -2.980 -8.524 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -16.317 -4.147 -7.919 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -15.819 -2.516 -7.459 1.00 0.00 H new ATOM 614 N PRO A 42 -11.483 -1.883 -5.074 1.00 0.00 N ATOM 615 CA PRO A 42 -10.144 -2.076 -4.472 1.00 0.00 C ATOM 616 C PRO A 42 -10.232 -2.944 -3.198 1.00 0.00 C ATOM 617 O PRO A 42 -11.299 -3.392 -2.838 1.00 0.00 O ATOM 618 CB PRO A 42 -9.877 -0.667 -4.031 1.00 0.00 C ATOM 619 CG PRO A 42 -11.268 -0.095 -3.740 1.00 0.00 C ATOM 620 CD PRO A 42 -12.291 -1.129 -4.163 1.00 0.00 C ATOM 0 HA PRO A 42 -9.417 -2.547 -5.133 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.242 -0.640 -3.145 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.366 -0.097 -4.807 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.373 0.134 -2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.419 0.837 -4.284 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.655 -1.728 -3.328 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.164 -0.686 -4.642 1.00 0.00 H new ATOM 628 N ASP A 43 -9.148 -3.131 -2.459 1.00 0.00 N ATOM 629 CA ASP A 43 -9.294 -3.925 -1.179 1.00 0.00 C ATOM 630 C ASP A 43 -8.074 -3.800 -0.251 1.00 0.00 C ATOM 631 O ASP A 43 -7.168 -3.019 -0.482 1.00 0.00 O ATOM 632 CB ASP A 43 -9.528 -5.385 -1.586 1.00 0.00 C ATOM 633 CG ASP A 43 -10.335 -6.086 -0.476 1.00 0.00 C ATOM 634 OD1 ASP A 43 -9.713 -6.624 0.427 1.00 0.00 O ATOM 635 OD2 ASP A 43 -11.554 -6.040 -0.523 1.00 0.00 O ATOM 0 H ASP A 43 -8.212 -2.787 -2.672 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.131 -3.532 -0.602 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.068 -5.431 -2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.575 -5.892 -1.738 1.00 0.00 H new ATOM 640 N ILE A 44 -8.073 -4.580 0.810 1.00 0.00 N ATOM 641 CA ILE A 44 -6.955 -4.573 1.800 1.00 0.00 C ATOM 642 C ILE A 44 -6.431 -6.000 1.975 1.00 0.00 C ATOM 643 O ILE A 44 -7.175 -6.903 2.312 1.00 0.00 O ATOM 644 CB ILE A 44 -7.557 -4.067 3.131 1.00 0.00 C ATOM 645 CG1 ILE A 44 -6.780 -4.659 4.324 1.00 0.00 C ATOM 646 CG2 ILE A 44 -9.027 -4.491 3.256 1.00 0.00 C ATOM 647 CD1 ILE A 44 -5.279 -4.411 4.166 1.00 0.00 C ATOM 0 H ILE A 44 -8.822 -5.236 1.031 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.129 -3.940 1.476 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.486 -2.979 3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.132 -4.210 5.253 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.972 -5.730 4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.432 -4.125 4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.599 -4.071 2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.096 -5.579 3.229 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.748 -4.836 5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.927 -4.881 3.248 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.090 -3.338 4.120 1.00 0.00 H new ATOM 659 N ILE A 45 -5.160 -6.207 1.769 1.00 0.00 N ATOM 660 CA ILE A 45 -4.582 -7.577 1.937 1.00 0.00 C ATOM 661 C ILE A 45 -3.083 -7.491 2.199 1.00 0.00 C ATOM 662 O ILE A 45 -2.506 -6.417 2.276 1.00 0.00 O ATOM 663 CB ILE A 45 -4.807 -8.300 0.604 1.00 0.00 C ATOM 664 CG1 ILE A 45 -4.223 -7.452 -0.535 1.00 0.00 C ATOM 665 CG2 ILE A 45 -6.300 -8.536 0.373 1.00 0.00 C ATOM 666 CD1 ILE A 45 -2.947 -8.112 -1.065 1.00 0.00 C ATOM 0 H ILE A 45 -4.493 -5.487 1.491 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.048 -8.095 2.775 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.307 -9.268 0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.953 -7.352 -1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.003 -6.446 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -6.444 -9.050 -0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.701 -9.148 1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.820 -7.579 0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.534 -7.509 -1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.216 -8.189 -0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.181 -9.109 -1.439 1.00 0.00 H new ATOM 678 N ARG A 46 -2.447 -8.629 2.292 1.00 0.00 N ATOM 679 CA ARG A 46 -0.977 -8.656 2.494 1.00 0.00 C ATOM 680 C ARG A 46 -0.305 -8.559 1.120 1.00 0.00 C ATOM 681 O ARG A 46 -0.107 -9.554 0.441 1.00 0.00 O ATOM 682 CB ARG A 46 -0.686 -10.013 3.146 1.00 0.00 C ATOM 683 CG ARG A 46 -1.061 -9.968 4.629 1.00 0.00 C ATOM 684 CD ARG A 46 -1.257 -11.397 5.156 1.00 0.00 C ATOM 685 NE ARG A 46 -1.156 -11.294 6.645 1.00 0.00 N ATOM 686 CZ ARG A 46 -1.826 -10.375 7.288 1.00 0.00 C ATOM 687 NH1 ARG A 46 -3.101 -10.532 7.508 1.00 0.00 N ATOM 688 NH2 ARG A 46 -1.213 -9.301 7.708 1.00 0.00 N ATOM 0 H ARG A 46 -2.891 -9.546 2.236 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.608 -7.838 3.113 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.251 -10.797 2.642 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.370 -10.260 3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.279 -9.465 5.197 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.976 -9.391 4.766 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.226 -11.796 4.856 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.498 -12.070 4.757 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.562 -11.944 7.160 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.576 -11.372 7.178 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.624 -9.815 8.010 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.215 -9.182 7.534 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.732 -8.581 8.210 1.00 0.00 H new ATOM 702 N LEU A 47 0.050 -7.372 0.709 1.00 0.00 N ATOM 703 CA LEU A 47 0.712 -7.193 -0.617 1.00 0.00 C ATOM 704 C LEU A 47 2.142 -7.706 -0.501 1.00 0.00 C ATOM 705 O LEU A 47 3.031 -7.008 -0.053 1.00 0.00 O ATOM 706 CB LEU A 47 0.690 -5.680 -0.850 1.00 0.00 C ATOM 707 CG LEU A 47 0.868 -5.361 -2.332 1.00 0.00 C ATOM 708 CD1 LEU A 47 0.214 -4.014 -2.633 1.00 0.00 C ATOM 709 CD2 LEU A 47 2.359 -5.284 -2.661 1.00 0.00 C ATOM 0 H LEU A 47 -0.091 -6.512 1.238 1.00 0.00 H new ATOM 0 HA LEU A 47 0.228 -7.728 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.253 -5.266 -0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.484 -5.206 -0.273 1.00 0.00 H new ATOM 0 HG LEU A 47 0.404 -6.141 -2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.337 -3.778 -3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.848 -4.063 -2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.686 -3.238 -2.031 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.487 -5.056 -3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.824 -4.500 -2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.831 -6.240 -2.436 1.00 0.00 H new ATOM 721 N ARG A 48 2.360 -8.937 -0.859 1.00 0.00 N ATOM 722 CA ARG A 48 3.733 -9.513 -0.716 1.00 0.00 C ATOM 723 C ARG A 48 4.652 -9.124 -1.883 1.00 0.00 C ATOM 724 O ARG A 48 4.274 -8.373 -2.767 1.00 0.00 O ATOM 725 CB ARG A 48 3.564 -11.040 -0.597 1.00 0.00 C ATOM 726 CG ARG A 48 2.708 -11.602 -1.739 1.00 0.00 C ATOM 727 CD ARG A 48 1.744 -12.661 -1.186 1.00 0.00 C ATOM 728 NE ARG A 48 0.820 -11.933 -0.258 1.00 0.00 N ATOM 729 CZ ARG A 48 -0.179 -12.562 0.289 1.00 0.00 C ATOM 730 NH1 ARG A 48 -1.293 -12.713 -0.380 1.00 0.00 N ATOM 731 NH2 ARG A 48 -0.064 -13.028 1.505 1.00 0.00 N ATOM 0 H ARG A 48 1.657 -9.569 -1.242 1.00 0.00 H new ATOM 0 HA ARG A 48 4.222 -9.111 0.171 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.544 -11.517 -0.607 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.101 -11.282 0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.147 -10.798 -2.216 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.348 -12.042 -2.504 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.189 -13.142 -1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.287 -13.446 -0.660 1.00 0.00 H new ATOM 0 HE ARG A 48 0.974 -10.945 -0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.375 -12.339 -1.325 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.080 -13.205 0.044 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.806 -12.898 2.021 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.845 -13.522 1.938 1.00 0.00 H new ATOM 745 N GLU A 49 5.863 -9.636 -1.883 1.00 0.00 N ATOM 746 CA GLU A 49 6.843 -9.321 -2.947 1.00 0.00 C ATOM 747 C GLU A 49 7.535 -10.623 -3.297 1.00 0.00 C ATOM 748 O GLU A 49 7.484 -11.572 -2.531 1.00 0.00 O ATOM 749 CB GLU A 49 7.808 -8.306 -2.293 1.00 0.00 C ATOM 750 CG GLU A 49 9.205 -8.346 -2.937 1.00 0.00 C ATOM 751 CD GLU A 49 10.274 -8.443 -1.848 1.00 0.00 C ATOM 752 OE1 GLU A 49 10.557 -7.427 -1.223 1.00 0.00 O ATOM 753 OE2 GLU A 49 10.795 -9.532 -1.645 1.00 0.00 O ATOM 0 H GLU A 49 6.211 -10.274 -1.167 1.00 0.00 H new ATOM 0 HA GLU A 49 6.422 -8.904 -3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.395 -7.301 -2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.893 -8.520 -1.228 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.281 -9.199 -3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.365 -7.450 -3.538 1.00 0.00 H new ATOM 760 N ARG A 50 8.166 -10.710 -4.422 1.00 0.00 N ATOM 761 CA ARG A 50 8.823 -11.994 -4.738 1.00 0.00 C ATOM 762 C ARG A 50 10.338 -11.892 -4.497 1.00 0.00 C ATOM 763 O ARG A 50 10.914 -10.819 -4.532 1.00 0.00 O ATOM 764 CB ARG A 50 8.500 -12.283 -6.210 1.00 0.00 C ATOM 765 CG ARG A 50 7.405 -13.354 -6.297 1.00 0.00 C ATOM 766 CD ARG A 50 6.994 -13.555 -7.764 1.00 0.00 C ATOM 767 NE ARG A 50 6.683 -15.013 -7.890 1.00 0.00 N ATOM 768 CZ ARG A 50 5.638 -15.404 -8.568 1.00 0.00 C ATOM 769 NH1 ARG A 50 5.732 -15.585 -9.859 1.00 0.00 N ATOM 770 NH2 ARG A 50 4.503 -15.605 -7.954 1.00 0.00 N ATOM 0 H ARG A 50 8.255 -9.971 -5.120 1.00 0.00 H new ATOM 0 HA ARG A 50 8.466 -12.803 -4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.170 -11.370 -6.706 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.396 -12.622 -6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.767 -14.293 -5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.541 -13.053 -5.705 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.127 -12.945 -8.017 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.797 -13.264 -8.441 1.00 0.00 H new ATOM 0 HE ARG A 50 7.289 -15.703 -7.445 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.620 -15.421 -10.334 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.918 -15.890 -10.392 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.435 -15.456 -6.947 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.685 -15.910 -8.481 1.00 0.00 H new ATOM 784 N GLY A 51 10.977 -13.002 -4.231 1.00 0.00 N ATOM 785 CA GLY A 51 12.446 -12.989 -3.954 1.00 0.00 C ATOM 786 C GLY A 51 12.635 -13.226 -2.457 1.00 0.00 C ATOM 787 O GLY A 51 12.938 -14.322 -2.026 1.00 0.00 O ATOM 0 H GLY A 51 10.542 -13.924 -4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.951 -13.763 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.883 -12.035 -4.249 1.00 0.00 H new ATOM 791 N THR A 52 12.404 -12.218 -1.661 1.00 0.00 N ATOM 792 CA THR A 52 12.510 -12.389 -0.182 1.00 0.00 C ATOM 793 C THR A 52 11.094 -12.603 0.360 1.00 0.00 C ATOM 794 O THR A 52 10.164 -12.777 -0.408 1.00 0.00 O ATOM 795 CB THR A 52 13.142 -11.100 0.369 1.00 0.00 C ATOM 796 OG1 THR A 52 12.206 -10.030 0.321 1.00 0.00 O ATOM 797 CG2 THR A 52 14.384 -10.735 -0.449 1.00 0.00 C ATOM 0 H THR A 52 12.146 -11.281 -1.971 1.00 0.00 H new ATOM 0 HA THR A 52 13.123 -13.242 0.110 1.00 0.00 H new ATOM 0 HB THR A 52 13.431 -11.271 1.406 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.652 -10.116 -0.483 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.825 -9.821 -0.052 1.00 0.00 H new ATOM 0 HG22 THR A 52 15.111 -11.545 -0.388 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.101 -10.579 -1.490 1.00 0.00 H new ATOM 805 N LYS A 53 10.892 -12.592 1.650 1.00 0.00 N ATOM 806 CA LYS A 53 9.511 -12.795 2.151 1.00 0.00 C ATOM 807 C LYS A 53 8.954 -11.471 2.640 1.00 0.00 C ATOM 808 O LYS A 53 9.109 -11.100 3.791 1.00 0.00 O ATOM 809 CB LYS A 53 9.648 -13.786 3.293 1.00 0.00 C ATOM 810 CG LYS A 53 8.616 -14.897 3.146 1.00 0.00 C ATOM 811 CD LYS A 53 8.808 -15.914 4.274 1.00 0.00 C ATOM 812 CE LYS A 53 10.214 -16.524 4.179 1.00 0.00 C ATOM 813 NZ LYS A 53 11.040 -15.803 5.196 1.00 0.00 N ATOM 0 H LYS A 53 11.609 -12.454 2.362 1.00 0.00 H new ATOM 0 HA LYS A 53 8.830 -13.166 1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.652 -14.210 3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.512 -13.276 4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.609 -14.481 3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.725 -15.385 2.178 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.675 -15.430 5.241 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.054 -16.698 4.203 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.190 -17.595 4.382 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.628 -16.398 3.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.027 -16.126 5.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.999 -14.780 5.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.670 -16.001 6.148 1.00 0.00 H new ATOM 827 N LYS A 54 8.304 -10.758 1.771 1.00 0.00 N ATOM 828 CA LYS A 54 7.721 -9.453 2.174 1.00 0.00 C ATOM 829 C LYS A 54 6.194 -9.508 2.106 1.00 0.00 C ATOM 830 O LYS A 54 5.616 -10.211 1.299 1.00 0.00 O ATOM 831 CB LYS A 54 8.270 -8.418 1.187 1.00 0.00 C ATOM 832 CG LYS A 54 8.496 -7.092 1.926 1.00 0.00 C ATOM 833 CD LYS A 54 9.922 -6.583 1.690 1.00 0.00 C ATOM 834 CE LYS A 54 10.938 -7.667 2.080 1.00 0.00 C ATOM 835 NZ LYS A 54 11.828 -7.823 0.894 1.00 0.00 N ATOM 0 H LYS A 54 8.150 -11.022 0.798 1.00 0.00 H new ATOM 0 HA LYS A 54 7.985 -9.197 3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.205 -8.771 0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.570 -8.275 0.363 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.777 -6.349 1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.325 -7.230 2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.051 -6.312 0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.097 -5.681 2.277 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.507 -7.373 2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.438 -8.605 2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.960 -8.834 0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.395 -7.357 0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.751 -7.387 1.093 1.00 0.00 H new ATOM 849 N VAL A 55 5.554 -8.756 2.952 1.00 0.00 N ATOM 850 CA VAL A 55 4.069 -8.712 2.991 1.00 0.00 C ATOM 851 C VAL A 55 3.629 -7.312 3.448 1.00 0.00 C ATOM 852 O VAL A 55 3.526 -7.038 4.630 1.00 0.00 O ATOM 853 CB VAL A 55 3.674 -9.781 4.026 1.00 0.00 C ATOM 854 CG1 VAL A 55 2.211 -9.603 4.438 1.00 0.00 C ATOM 855 CG2 VAL A 55 3.862 -11.177 3.426 1.00 0.00 C ATOM 0 H VAL A 55 6.011 -8.154 3.637 1.00 0.00 H new ATOM 0 HA VAL A 55 3.602 -8.903 2.025 1.00 0.00 H new ATOM 0 HB VAL A 55 4.311 -9.669 4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.944 -10.365 5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.074 -8.615 4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.571 -9.702 3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.581 -11.930 4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.233 -11.281 2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.906 -11.315 3.146 1.00 0.00 H new ATOM 865 N HIS A 56 3.356 -6.434 2.519 1.00 0.00 N ATOM 866 CA HIS A 56 2.904 -5.056 2.885 1.00 0.00 C ATOM 867 C HIS A 56 1.430 -5.136 3.224 1.00 0.00 C ATOM 868 O HIS A 56 0.650 -5.615 2.433 1.00 0.00 O ATOM 869 CB HIS A 56 3.194 -4.209 1.615 1.00 0.00 C ATOM 870 CG HIS A 56 2.088 -3.218 1.245 1.00 0.00 C ATOM 871 ND1 HIS A 56 0.725 -3.357 1.009 1.00 0.00 N flip ATOM 872 CD2 HIS A 56 2.383 -1.880 0.920 1.00 0.00 C flip ATOM 873 CE1 HIS A 56 0.236 -2.157 0.541 1.00 0.00 C flip ATOM 874 NE2 HIS A 56 1.238 -1.296 0.502 1.00 0.00 N flip ATOM 0 H HIS A 56 3.427 -6.612 1.517 1.00 0.00 H new ATOM 0 HA HIS A 56 3.403 -4.614 3.748 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.122 -3.658 1.766 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.356 -4.883 0.774 1.00 0.00 H new ATOM 0 HD1 HIS A 56 0.179 -4.205 1.157 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.351 -1.406 0.992 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.786 -1.955 0.256 1.00 0.00 H new ATOM 883 N VAL A 57 1.011 -4.698 4.379 1.00 0.00 N ATOM 884 CA VAL A 57 -0.427 -4.793 4.655 1.00 0.00 C ATOM 885 C VAL A 57 -0.981 -3.381 4.633 1.00 0.00 C ATOM 886 O VAL A 57 -0.751 -2.588 5.519 1.00 0.00 O ATOM 887 CB VAL A 57 -0.569 -5.488 6.015 1.00 0.00 C ATOM 888 CG1 VAL A 57 -1.996 -6.028 6.158 1.00 0.00 C ATOM 889 CG2 VAL A 57 0.403 -6.670 6.095 1.00 0.00 C ATOM 0 H VAL A 57 1.589 -4.293 5.115 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.987 -5.374 3.922 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.351 -4.771 6.807 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.103 -6.523 7.123 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.705 -5.203 6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.196 -6.742 5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.299 -7.161 7.062 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.177 -7.381 5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.425 -6.309 5.979 1.00 0.00 H new ATOM 899 N PHE A 58 -1.693 -3.060 3.602 1.00 0.00 N ATOM 900 CA PHE A 58 -2.274 -1.702 3.491 1.00 0.00 C ATOM 901 C PHE A 58 -3.566 -1.813 2.694 1.00 0.00 C ATOM 902 O PHE A 58 -3.840 -2.813 2.060 1.00 0.00 O ATOM 903 CB PHE A 58 -1.268 -0.838 2.712 1.00 0.00 C ATOM 904 CG PHE A 58 -0.636 0.286 3.546 1.00 0.00 C ATOM 905 CD1 PHE A 58 -1.302 1.521 3.762 1.00 0.00 C ATOM 906 CD2 PHE A 58 0.669 0.121 4.036 1.00 0.00 C ATOM 907 CE1 PHE A 58 -0.664 2.554 4.463 1.00 0.00 C ATOM 908 CE2 PHE A 58 1.304 1.163 4.723 1.00 0.00 C ATOM 909 CZ PHE A 58 0.641 2.376 4.936 1.00 0.00 C ATOM 0 H PHE A 58 -1.901 -3.684 2.823 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.476 -1.264 4.468 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.476 -1.479 2.325 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.772 -0.399 1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.304 1.665 3.385 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.186 -0.815 3.882 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.179 3.487 4.638 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.311 1.029 5.090 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.137 3.176 5.466 1.00 0.00 H new ATOM 919 N LYS A 59 -4.329 -0.785 2.703 1.00 0.00 N ATOM 920 CA LYS A 59 -5.617 -0.769 1.926 1.00 0.00 C ATOM 921 C LYS A 59 -5.540 0.393 0.941 1.00 0.00 C ATOM 922 O LYS A 59 -5.382 1.519 1.354 1.00 0.00 O ATOM 923 CB LYS A 59 -6.732 -0.549 2.958 1.00 0.00 C ATOM 924 CG LYS A 59 -6.443 -1.354 4.234 1.00 0.00 C ATOM 925 CD LYS A 59 -7.705 -1.419 5.106 1.00 0.00 C ATOM 926 CE LYS A 59 -7.315 -1.683 6.571 1.00 0.00 C ATOM 927 NZ LYS A 59 -7.922 -3.001 6.942 1.00 0.00 N ATOM 0 H LYS A 59 -4.131 0.073 3.219 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.802 -1.687 1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.810 0.511 3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.691 -0.852 2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.118 -2.361 3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.629 -0.890 4.791 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.258 -0.483 5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.365 -2.209 4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.231 -1.709 6.685 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.685 -0.889 7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.513 -2.885 7.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.509 -3.346 6.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.166 -3.688 7.138 1.00 0.00 H new ATOM 941 N ALA A 60 -5.608 0.149 -0.351 1.00 0.00 N ATOM 942 CA ALA A 60 -5.460 1.295 -1.307 1.00 0.00 C ATOM 943 C ALA A 60 -6.789 1.688 -1.961 1.00 0.00 C ATOM 944 O ALA A 60 -7.305 0.989 -2.810 1.00 0.00 O ATOM 945 CB ALA A 60 -4.463 0.797 -2.355 1.00 0.00 C ATOM 0 H ALA A 60 -5.755 -0.767 -0.774 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.121 2.195 -0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.296 1.577 -3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.519 0.549 -1.870 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.863 -0.091 -2.845 1.00 0.00 H new ATOM 951 N TRP A 61 -7.337 2.809 -1.562 1.00 0.00 N ATOM 952 CA TRP A 61 -8.654 3.272 -2.142 1.00 0.00 C ATOM 953 C TRP A 61 -8.558 4.713 -2.637 1.00 0.00 C ATOM 954 O TRP A 61 -7.483 5.224 -2.773 1.00 0.00 O ATOM 955 CB TRP A 61 -9.641 3.139 -0.987 1.00 0.00 C ATOM 956 CG TRP A 61 -9.669 1.711 -0.588 1.00 0.00 C ATOM 957 CD1 TRP A 61 -9.604 0.701 -1.455 1.00 0.00 C ATOM 958 CD2 TRP A 61 -9.734 1.122 0.728 1.00 0.00 C ATOM 959 NE1 TRP A 61 -9.650 -0.491 -0.773 1.00 0.00 N ATOM 960 CE2 TRP A 61 -9.744 -0.286 0.591 1.00 0.00 C ATOM 961 CE3 TRP A 61 -9.801 1.670 2.006 1.00 0.00 C ATOM 962 CZ2 TRP A 61 -9.824 -1.124 1.701 1.00 0.00 C ATOM 963 CZ3 TRP A 61 -9.879 0.837 3.134 1.00 0.00 C ATOM 964 CH2 TRP A 61 -9.897 -0.560 2.981 1.00 0.00 C ATOM 0 H TRP A 61 -6.935 3.430 -0.859 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.959 2.687 -3.010 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.337 3.766 -0.149 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -10.634 3.472 -1.290 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.527 0.803 -2.527 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -9.619 -1.409 -1.216 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -9.793 2.743 2.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -9.830 -2.197 1.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -9.925 1.271 4.122 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -9.967 -1.198 3.850 1.00 0.00 H new ATOM 975 N LYS A 62 -9.662 5.373 -2.917 1.00 0.00 N ATOM 976 CA LYS A 62 -9.574 6.796 -3.400 1.00 0.00 C ATOM 977 C LYS A 62 -10.380 7.735 -2.492 1.00 0.00 C ATOM 978 O LYS A 62 -11.525 8.054 -2.772 1.00 0.00 O ATOM 979 CB LYS A 62 -10.145 6.791 -4.818 1.00 0.00 C ATOM 980 CG LYS A 62 -9.183 7.514 -5.762 1.00 0.00 C ATOM 981 CD LYS A 62 -9.946 7.985 -7.004 1.00 0.00 C ATOM 982 CE LYS A 62 -9.398 9.343 -7.459 1.00 0.00 C ATOM 983 NZ LYS A 62 -8.226 9.030 -8.336 1.00 0.00 N ATOM 0 H LYS A 62 -10.606 4.996 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.546 7.158 -3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.299 5.766 -5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.119 7.280 -4.830 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.730 8.366 -5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.371 6.847 -6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.844 7.253 -7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.010 8.067 -6.781 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.155 9.909 -8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.098 9.951 -6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.804 9.916 -8.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.517 8.498 -7.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.541 8.458 -9.145 1.00 0.00 H new ATOM 997 N GLU A 63 -9.746 8.202 -1.436 1.00 0.00 N ATOM 998 CA GLU A 63 -10.377 9.157 -0.457 1.00 0.00 C ATOM 999 C GLU A 63 -9.257 9.870 0.369 1.00 0.00 C ATOM 1000 O GLU A 63 -8.098 9.532 0.275 1.00 0.00 O ATOM 1001 CB GLU A 63 -11.250 8.289 0.450 1.00 0.00 C ATOM 1002 CG GLU A 63 -12.524 7.819 -0.270 1.00 0.00 C ATOM 1003 CD GLU A 63 -12.397 6.342 -0.700 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -11.373 5.729 -0.435 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -13.335 5.853 -1.314 1.00 0.00 O ATOM 0 H GLU A 63 -8.785 7.952 -1.205 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.964 9.933 -0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.679 7.422 0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.523 8.853 1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.384 7.938 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.704 8.443 -1.145 1.00 0.00 H new ATOM 1012 N ILE A 64 -9.572 10.869 1.157 1.00 0.00 N ATOM 1013 CA ILE A 64 -8.483 11.610 1.919 1.00 0.00 C ATOM 1014 C ILE A 64 -7.952 10.894 3.192 1.00 0.00 C ATOM 1015 O ILE A 64 -8.537 11.008 4.254 1.00 0.00 O ATOM 1016 CB ILE A 64 -9.124 12.966 2.296 1.00 0.00 C ATOM 1017 CG1 ILE A 64 -8.165 13.761 3.192 1.00 0.00 C ATOM 1018 CG2 ILE A 64 -10.445 12.750 3.045 1.00 0.00 C ATOM 1019 CD1 ILE A 64 -8.323 15.258 2.916 1.00 0.00 C ATOM 0 H ILE A 64 -10.520 11.210 1.313 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.598 11.690 1.288 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.321 13.520 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.374 13.551 4.241 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.136 13.453 3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.880 13.716 3.301 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -11.137 12.197 2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -10.258 12.183 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.641 15.820 3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.092 15.461 1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -9.349 15.561 3.127 1.00 0.00 H new ATOM 1031 N VAL A 65 -6.825 10.189 3.118 1.00 0.00 N ATOM 1032 CA VAL A 65 -6.277 9.537 4.350 1.00 0.00 C ATOM 1033 C VAL A 65 -5.321 10.495 5.082 1.00 0.00 C ATOM 1034 O VAL A 65 -5.229 11.675 4.785 1.00 0.00 O ATOM 1035 CB VAL A 65 -5.506 8.257 3.936 1.00 0.00 C ATOM 1036 CG1 VAL A 65 -6.393 7.032 4.160 1.00 0.00 C ATOM 1037 CG2 VAL A 65 -5.045 8.306 2.471 1.00 0.00 C ATOM 0 H VAL A 65 -6.279 10.046 2.268 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.099 9.283 5.020 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.612 8.192 4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.851 6.132 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.665 6.967 5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.297 7.122 3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.510 7.388 2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.913 8.404 1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.384 9.161 2.326 1.00 0.00 H new ATOM 1047 N ASP A 66 -4.608 9.955 6.031 1.00 0.00 N ATOM 1048 CA ASP A 66 -3.615 10.721 6.834 1.00 0.00 C ATOM 1049 C ASP A 66 -2.226 10.087 6.629 1.00 0.00 C ATOM 1050 O ASP A 66 -2.090 8.885 6.659 1.00 0.00 O ATOM 1051 CB ASP A 66 -4.078 10.556 8.286 1.00 0.00 C ATOM 1052 CG ASP A 66 -3.055 11.188 9.230 1.00 0.00 C ATOM 1053 OD1 ASP A 66 -2.145 10.490 9.638 1.00 0.00 O ATOM 1054 OD2 ASP A 66 -3.201 12.363 9.529 1.00 0.00 O ATOM 0 H ASP A 66 -4.678 8.972 6.292 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.547 11.772 6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.052 11.026 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.199 9.499 8.521 1.00 0.00 H new ATOM 1059 N ALA A 67 -1.217 10.891 6.389 1.00 0.00 N ATOM 1060 CA ALA A 67 0.173 10.376 6.132 1.00 0.00 C ATOM 1061 C ALA A 67 0.761 9.704 7.354 1.00 0.00 C ATOM 1062 O ALA A 67 1.214 10.396 8.205 1.00 0.00 O ATOM 1063 CB ALA A 67 1.011 11.632 5.874 1.00 0.00 C ATOM 0 H ALA A 67 -1.298 11.907 6.359 1.00 0.00 H new ATOM 0 HA ALA A 67 0.161 9.653 5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.044 11.346 5.677 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.611 12.165 5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.975 12.280 6.750 1.00 0.00 H new ATOM 1069 N PRO A 68 0.762 8.390 7.400 1.00 0.00 N ATOM 1070 CA PRO A 68 1.314 7.683 8.576 1.00 0.00 C ATOM 1071 C PRO A 68 2.827 7.461 8.439 1.00 0.00 C ATOM 1072 O PRO A 68 3.481 8.039 7.589 1.00 0.00 O ATOM 1073 CB PRO A 68 0.568 6.354 8.553 1.00 0.00 C ATOM 1074 CG PRO A 68 0.163 6.133 7.123 1.00 0.00 C ATOM 1075 CD PRO A 68 0.282 7.447 6.387 1.00 0.00 C ATOM 0 HA PRO A 68 1.187 8.239 9.505 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.204 5.543 8.909 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.304 6.385 9.206 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.800 5.380 6.660 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.860 5.760 7.071 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.978 7.373 5.552 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -0.677 7.760 5.975 1.00 0.00 H new ATOM 1083 N LYS A 69 3.385 6.618 9.277 1.00 0.00 N ATOM 1084 CA LYS A 69 4.856 6.338 9.216 1.00 0.00 C ATOM 1085 C LYS A 69 5.196 5.550 7.942 1.00 0.00 C ATOM 1086 O LYS A 69 5.678 4.426 7.990 1.00 0.00 O ATOM 1087 CB LYS A 69 5.163 5.513 10.471 1.00 0.00 C ATOM 1088 CG LYS A 69 5.551 6.452 11.617 1.00 0.00 C ATOM 1089 CD LYS A 69 6.965 6.993 11.382 1.00 0.00 C ATOM 1090 CE LYS A 69 7.988 6.075 12.062 1.00 0.00 C ATOM 1091 NZ LYS A 69 9.248 6.238 11.277 1.00 0.00 N ATOM 0 H LYS A 69 2.882 6.110 10.004 1.00 0.00 H new ATOM 0 HA LYS A 69 5.448 7.252 9.184 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.292 4.920 10.751 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.974 4.813 10.270 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.841 7.277 11.681 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.508 5.920 12.567 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.169 7.053 10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.049 8.005 11.779 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.136 6.355 13.105 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.652 5.038 12.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.992 5.638 11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.081 5.957 10.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.550 7.233 11.307 1.00 0.00 H new ATOM 1105 N ASN A 70 4.945 6.139 6.806 1.00 0.00 N ATOM 1106 CA ASN A 70 5.234 5.461 5.507 1.00 0.00 C ATOM 1107 C ASN A 70 6.531 5.989 4.882 1.00 0.00 C ATOM 1108 O ASN A 70 6.993 5.460 3.897 1.00 0.00 O ATOM 1109 CB ASN A 70 4.041 5.786 4.622 1.00 0.00 C ATOM 1110 CG ASN A 70 3.284 4.492 4.310 1.00 0.00 C ATOM 1111 OD1 ASN A 70 3.347 3.540 5.061 1.00 0.00 O ATOM 1112 ND2 ASN A 70 2.572 4.414 3.231 1.00 0.00 N ATOM 0 H ASN A 70 4.547 7.074 6.720 1.00 0.00 H new ATOM 0 HA ASN A 70 5.374 4.388 5.634 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.383 6.496 5.123 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.375 6.259 3.698 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.067 3.555 3.015 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.517 5.212 2.598 1.00 0.00 H new ATOM 1119 N ARG A 71 7.079 7.047 5.441 1.00 0.00 N ATOM 1120 CA ARG A 71 8.344 7.685 4.925 1.00 0.00 C ATOM 1121 C ARG A 71 8.239 8.108 3.440 1.00 0.00 C ATOM 1122 O ARG A 71 9.161 7.911 2.675 1.00 0.00 O ATOM 1123 CB ARG A 71 9.475 6.654 5.175 1.00 0.00 C ATOM 1124 CG ARG A 71 9.585 5.626 4.033 1.00 0.00 C ATOM 1125 CD ARG A 71 9.206 4.229 4.546 1.00 0.00 C ATOM 1126 NE ARG A 71 10.461 3.429 4.470 1.00 0.00 N ATOM 1127 CZ ARG A 71 11.169 3.229 5.547 1.00 0.00 C ATOM 1128 NH1 ARG A 71 10.778 2.339 6.419 1.00 0.00 N ATOM 1129 NH2 ARG A 71 12.255 3.927 5.753 1.00 0.00 N ATOM 0 H ARG A 71 6.689 7.511 6.261 1.00 0.00 H new ATOM 0 HA ARG A 71 8.548 8.619 5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.425 7.178 5.283 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.289 6.133 6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.928 5.911 3.211 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.601 5.615 3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.829 4.274 5.568 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.419 3.786 3.936 1.00 0.00 H new ATOM 0 HE ARG A 71 10.766 3.039 3.578 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.924 1.806 6.256 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.327 2.177 7.264 1.00 0.00 H new ATOM 0 HH21 ARG A 71 12.548 4.627 5.072 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.809 3.771 6.595 1.00 0.00 H new ATOM 1143 N PRO A 72 7.129 8.713 3.076 1.00 0.00 N ATOM 1144 CA PRO A 72 6.943 9.182 1.690 1.00 0.00 C ATOM 1145 C PRO A 72 7.361 10.655 1.573 1.00 0.00 C ATOM 1146 O PRO A 72 6.612 11.549 1.922 1.00 0.00 O ATOM 1147 CB PRO A 72 5.442 9.026 1.486 1.00 0.00 C ATOM 1148 CG PRO A 72 4.833 9.095 2.862 1.00 0.00 C ATOM 1149 CD PRO A 72 5.945 9.019 3.879 1.00 0.00 C ATOM 0 HA PRO A 72 7.536 8.638 0.954 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.050 9.815 0.845 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.209 8.077 1.002 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.272 10.022 2.982 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.130 8.275 3.007 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.059 9.959 4.419 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.755 8.246 4.623 1.00 0.00 H new ATOM 1157 N ALA A 73 8.550 10.916 1.099 1.00 0.00 N ATOM 1158 CA ALA A 73 9.010 12.336 0.978 1.00 0.00 C ATOM 1159 C ALA A 73 8.432 13.008 -0.274 1.00 0.00 C ATOM 1160 O ALA A 73 8.415 14.220 -0.377 1.00 0.00 O ATOM 1161 CB ALA A 73 10.537 12.260 0.896 1.00 0.00 C ATOM 0 H ALA A 73 9.222 10.213 0.791 1.00 0.00 H new ATOM 0 HA ALA A 73 8.674 12.936 1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.947 13.266 0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 73 10.927 11.789 1.798 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.826 11.671 0.026 1.00 0.00 H new ATOM 1167 N TRP A 74 7.965 12.243 -1.223 1.00 0.00 N ATOM 1168 CA TRP A 74 7.394 12.850 -2.467 1.00 0.00 C ATOM 1169 C TRP A 74 5.954 13.315 -2.199 1.00 0.00 C ATOM 1170 O TRP A 74 5.518 14.342 -2.681 1.00 0.00 O ATOM 1171 CB TRP A 74 7.406 11.734 -3.529 1.00 0.00 C ATOM 1172 CG TRP A 74 8.693 10.955 -3.495 1.00 0.00 C ATOM 1173 CD1 TRP A 74 9.873 11.402 -3.001 1.00 0.00 C ATOM 1174 CD2 TRP A 74 8.941 9.598 -3.972 1.00 0.00 C ATOM 1175 NE1 TRP A 74 10.820 10.405 -3.133 1.00 0.00 N ATOM 1176 CE2 TRP A 74 10.298 9.276 -3.733 1.00 0.00 C ATOM 1177 CE3 TRP A 74 8.129 8.623 -4.582 1.00 0.00 C ATOM 1178 CZ2 TRP A 74 10.830 8.035 -4.085 1.00 0.00 C ATOM 1179 CZ3 TRP A 74 8.662 7.373 -4.939 1.00 0.00 C ATOM 1180 CH2 TRP A 74 10.009 7.080 -4.691 1.00 0.00 C ATOM 0 H TRP A 74 7.953 11.223 -1.194 1.00 0.00 H new ATOM 0 HA TRP A 74 7.968 13.716 -2.798 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.567 11.060 -3.359 1.00 0.00 H new ATOM 0 HB3 TRP A 74 7.269 12.170 -4.519 1.00 0.00 H new ATOM 0 HD1 TRP A 74 10.045 12.379 -2.574 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.788 10.492 -2.824 1.00 0.00 H new ATOM 0 HE3 TRP A 74 7.089 8.838 -4.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 11.869 7.814 -3.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 8.029 6.634 -5.407 1.00 0.00 H new ATOM 0 HH2 TRP A 74 10.413 6.117 -4.968 1.00 0.00 H new ATOM 1191 N MET A 75 5.223 12.551 -1.425 1.00 0.00 N ATOM 1192 CA MET A 75 3.810 12.905 -1.086 1.00 0.00 C ATOM 1193 C MET A 75 3.350 11.997 0.060 1.00 0.00 C ATOM 1194 O MET A 75 3.416 10.794 -0.066 1.00 0.00 O ATOM 1195 CB MET A 75 2.993 12.637 -2.356 1.00 0.00 C ATOM 1196 CG MET A 75 2.040 13.806 -2.611 1.00 0.00 C ATOM 1197 SD MET A 75 0.796 13.315 -3.833 1.00 0.00 S ATOM 1198 CE MET A 75 0.586 14.932 -4.621 1.00 0.00 C ATOM 0 H MET A 75 5.553 11.681 -1.006 1.00 0.00 H new ATOM 0 HA MET A 75 3.694 13.941 -0.769 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.660 12.506 -3.208 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.428 11.711 -2.248 1.00 0.00 H new ATOM 0 HG2 MET A 75 1.555 14.103 -1.681 1.00 0.00 H new ATOM 0 HG3 MET A 75 2.597 14.671 -2.971 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.152 14.855 -5.419 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.245 15.656 -3.881 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.538 15.260 -5.038 1.00 0.00 H new ATOM 1208 N PRO A 76 2.933 12.588 1.148 1.00 0.00 N ATOM 1209 CA PRO A 76 2.501 11.786 2.318 1.00 0.00 C ATOM 1210 C PRO A 76 1.070 11.289 2.190 1.00 0.00 C ATOM 1211 O PRO A 76 0.399 11.539 1.206 1.00 0.00 O ATOM 1212 CB PRO A 76 2.657 12.762 3.479 1.00 0.00 C ATOM 1213 CG PRO A 76 2.548 14.134 2.882 1.00 0.00 C ATOM 1214 CD PRO A 76 2.832 14.029 1.401 1.00 0.00 C ATOM 0 HA PRO A 76 3.086 10.874 2.437 1.00 0.00 H new ATOM 0 HB2 PRO A 76 1.884 12.601 4.231 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.618 12.628 3.976 1.00 0.00 H new ATOM 0 HG2 PRO A 76 1.552 14.543 3.050 1.00 0.00 H new ATOM 0 HG3 PRO A 76 3.256 14.813 3.358 1.00 0.00 H new ATOM 0 HD2 PRO A 76 2.035 14.481 0.811 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.755 14.544 1.136 1.00 0.00 H new ATOM 1222 N GLU A 77 0.590 10.569 3.182 1.00 0.00 N ATOM 1223 CA GLU A 77 -0.804 10.065 3.077 1.00 0.00 C ATOM 1224 C GLU A 77 -1.777 11.041 3.716 1.00 0.00 C ATOM 1225 O GLU A 77 -2.935 10.734 3.882 1.00 0.00 O ATOM 1226 CB GLU A 77 -0.817 8.710 3.783 1.00 0.00 C ATOM 1227 CG GLU A 77 -1.147 7.608 2.784 1.00 0.00 C ATOM 1228 CD GLU A 77 -0.542 6.296 3.273 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -1.016 5.787 4.270 1.00 0.00 O ATOM 1230 OE2 GLU A 77 0.389 5.825 2.645 1.00 0.00 O ATOM 0 H GLU A 77 1.093 10.319 4.033 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.119 9.962 2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.154 8.519 4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.553 8.716 4.587 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.227 7.508 2.677 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.752 7.861 1.800 1.00 0.00 H new ATOM 1237 N LYS A 78 -1.333 12.229 4.049 1.00 0.00 N ATOM 1238 CA LYS A 78 -2.284 13.215 4.659 1.00 0.00 C ATOM 1239 C LYS A 78 -2.854 14.042 3.538 1.00 0.00 C ATOM 1240 O LYS A 78 -2.369 15.119 3.239 1.00 0.00 O ATOM 1241 CB LYS A 78 -1.450 14.086 5.611 1.00 0.00 C ATOM 1242 CG LYS A 78 -2.142 14.171 6.977 1.00 0.00 C ATOM 1243 CD LYS A 78 -3.252 15.229 6.928 1.00 0.00 C ATOM 1244 CE LYS A 78 -4.438 14.782 7.796 1.00 0.00 C ATOM 1245 NZ LYS A 78 -3.898 14.660 9.185 1.00 0.00 N ATOM 0 H LYS A 78 -0.374 12.555 3.929 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.102 12.745 5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.452 13.664 5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.328 15.085 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.562 13.201 7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.416 14.427 7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.870 16.186 7.283 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.579 15.378 5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.250 15.508 7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.842 13.831 7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.681 14.712 9.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.409 13.748 9.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.228 15.435 9.366 1.00 0.00 H new ATOM 1259 N ILE A 79 -3.860 13.534 2.883 1.00 0.00 N ATOM 1260 CA ILE A 79 -4.418 14.312 1.729 1.00 0.00 C ATOM 1261 C ILE A 79 -5.635 13.636 1.107 1.00 0.00 C ATOM 1262 O ILE A 79 -5.823 12.443 1.228 1.00 0.00 O ATOM 1263 CB ILE A 79 -3.246 14.403 0.707 1.00 0.00 C ATOM 1264 CG1 ILE A 79 -3.746 14.343 -0.746 1.00 0.00 C ATOM 1265 CG2 ILE A 79 -2.236 13.253 0.916 1.00 0.00 C ATOM 1266 CD1 ILE A 79 -3.958 15.762 -1.276 1.00 0.00 C ATOM 0 H ILE A 79 -4.313 12.642 3.083 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.772 15.292 2.048 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.762 15.364 0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.023 13.816 -1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.679 13.782 -0.797 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.429 13.341 0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.825 13.309 1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.741 12.296 0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.312 15.717 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.697 16.274 -0.660 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.015 16.308 -1.240 1.00 0.00 H new ATOM 1278 N SER A 80 -6.404 14.393 0.362 1.00 0.00 N ATOM 1279 CA SER A 80 -7.569 13.810 -0.378 1.00 0.00 C ATOM 1280 C SER A 80 -6.953 13.065 -1.550 1.00 0.00 C ATOM 1281 O SER A 80 -6.435 13.677 -2.468 1.00 0.00 O ATOM 1282 CB SER A 80 -8.404 15.006 -0.852 1.00 0.00 C ATOM 1283 OG SER A 80 -7.554 16.136 -1.034 1.00 0.00 O ATOM 0 H SER A 80 -6.274 15.397 0.234 1.00 0.00 H new ATOM 0 HA SER A 80 -8.201 13.138 0.203 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.909 14.763 -1.787 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.179 15.235 -0.121 1.00 0.00 H new ATOM 0 HG SER A 80 -8.087 16.900 -1.339 1.00 0.00 H new ATOM 1289 N LYS A 81 -6.907 11.758 -1.496 1.00 0.00 N ATOM 1290 CA LYS A 81 -6.197 11.016 -2.582 1.00 0.00 C ATOM 1291 C LYS A 81 -6.502 9.529 -2.428 1.00 0.00 C ATOM 1292 O LYS A 81 -7.533 9.195 -1.922 1.00 0.00 O ATOM 1293 CB LYS A 81 -4.719 11.358 -2.332 1.00 0.00 C ATOM 1294 CG LYS A 81 -4.255 10.696 -1.031 1.00 0.00 C ATOM 1295 CD LYS A 81 -2.737 10.530 -1.044 1.00 0.00 C ATOM 1296 CE LYS A 81 -2.323 9.583 0.086 1.00 0.00 C ATOM 1297 NZ LYS A 81 -2.503 8.207 -0.462 1.00 0.00 N ATOM 0 H LYS A 81 -7.321 11.182 -0.763 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.491 11.278 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.109 11.012 -3.166 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.590 12.439 -2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.556 11.303 -0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.735 9.724 -0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -2.411 10.132 -2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.252 11.498 -0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.288 9.755 0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.939 9.736 0.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.112 7.513 0.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -3.516 8.019 -0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.007 8.128 -1.373 1.00 0.00 H new ATOM 1311 N PRO A 82 -5.635 8.661 -2.862 1.00 0.00 N ATOM 1312 CA PRO A 82 -5.933 7.239 -2.677 1.00 0.00 C ATOM 1313 C PRO A 82 -5.718 6.855 -1.200 1.00 0.00 C ATOM 1314 O PRO A 82 -4.665 7.123 -0.637 1.00 0.00 O ATOM 1315 CB PRO A 82 -4.926 6.532 -3.573 1.00 0.00 C ATOM 1316 CG PRO A 82 -3.790 7.491 -3.691 1.00 0.00 C ATOM 1317 CD PRO A 82 -4.358 8.873 -3.548 1.00 0.00 C ATOM 0 HA PRO A 82 -6.961 6.976 -2.926 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.603 5.586 -3.137 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.355 6.304 -4.549 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.044 7.300 -2.920 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.290 7.378 -4.653 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.697 9.519 -2.970 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.500 9.349 -4.518 1.00 0.00 H new ATOM 1325 N PHE A 83 -6.695 6.244 -0.558 1.00 0.00 N ATOM 1326 CA PHE A 83 -6.508 5.853 0.865 1.00 0.00 C ATOM 1327 C PHE A 83 -5.425 4.806 0.968 1.00 0.00 C ATOM 1328 O PHE A 83 -5.122 4.101 0.025 1.00 0.00 O ATOM 1329 CB PHE A 83 -7.800 5.160 1.307 1.00 0.00 C ATOM 1330 CG PHE A 83 -8.787 6.106 1.928 1.00 0.00 C ATOM 1331 CD1 PHE A 83 -8.432 7.423 2.215 1.00 0.00 C ATOM 1332 CD2 PHE A 83 -10.085 5.658 2.204 1.00 0.00 C ATOM 1333 CE1 PHE A 83 -9.361 8.279 2.760 1.00 0.00 C ATOM 1334 CE2 PHE A 83 -11.012 6.529 2.761 1.00 0.00 C ATOM 1335 CZ PHE A 83 -10.635 7.846 3.031 1.00 0.00 C ATOM 0 H PHE A 83 -7.601 6.006 -0.961 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.257 6.731 1.461 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -8.260 4.677 0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -7.558 4.374 2.022 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -7.430 7.771 2.010 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -10.364 4.638 1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -9.085 9.301 2.976 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -12.014 6.191 2.983 1.00 0.00 H new ATOM 0 HZ PHE A 83 -11.353 8.531 3.457 1.00 0.00 H new ATOM 1345 N VAL A 84 -4.892 4.671 2.132 1.00 0.00 N ATOM 1346 CA VAL A 84 -3.867 3.641 2.374 1.00 0.00 C ATOM 1347 C VAL A 84 -3.897 3.293 3.860 1.00 0.00 C ATOM 1348 O VAL A 84 -3.237 3.918 4.667 1.00 0.00 O ATOM 1349 CB VAL A 84 -2.498 4.227 1.980 1.00 0.00 C ATOM 1350 CG1 VAL A 84 -1.747 3.222 1.105 1.00 0.00 C ATOM 1351 CG2 VAL A 84 -2.654 5.528 1.195 1.00 0.00 C ATOM 0 H VAL A 84 -5.127 5.242 2.944 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.050 2.740 1.789 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.946 4.432 2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.778 3.636 0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.600 2.295 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.327 3.018 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.669 5.915 0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.223 5.338 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.181 6.261 1.806 1.00 0.00 H new ATOM 1361 N LYS A 85 -4.648 2.294 4.236 1.00 0.00 N ATOM 1362 CA LYS A 85 -4.676 1.917 5.688 1.00 0.00 C ATOM 1363 C LYS A 85 -3.393 1.142 5.965 1.00 0.00 C ATOM 1364 O LYS A 85 -3.108 0.184 5.298 1.00 0.00 O ATOM 1365 CB LYS A 85 -5.922 1.055 5.900 1.00 0.00 C ATOM 1366 CG LYS A 85 -6.832 1.719 6.941 1.00 0.00 C ATOM 1367 CD LYS A 85 -8.229 1.937 6.344 1.00 0.00 C ATOM 1368 CE LYS A 85 -8.814 3.255 6.870 1.00 0.00 C ATOM 1369 NZ LYS A 85 -10.296 3.060 6.874 1.00 0.00 N ATOM 0 H LYS A 85 -5.233 1.730 3.620 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.724 2.772 6.362 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.457 0.933 4.958 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.635 0.058 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.900 1.093 7.831 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.407 2.673 7.254 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.171 1.962 5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.883 1.106 6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.445 3.477 7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.530 4.093 6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -10.759 3.924 7.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -10.622 2.859 5.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.539 2.262 7.495 1.00 0.00 H new ATOM 1383 N LYS A 86 -2.595 1.602 6.894 1.00 0.00 N ATOM 1384 CA LYS A 86 -1.279 0.969 7.172 1.00 0.00 C ATOM 1385 C LYS A 86 -1.368 -0.206 8.134 1.00 0.00 C ATOM 1386 O LYS A 86 -1.245 -0.084 9.339 1.00 0.00 O ATOM 1387 CB LYS A 86 -0.408 2.089 7.766 1.00 0.00 C ATOM 1388 CG LYS A 86 -1.058 2.656 9.034 1.00 0.00 C ATOM 1389 CD LYS A 86 -1.620 4.048 8.742 1.00 0.00 C ATOM 1390 CE LYS A 86 -2.937 4.246 9.502 1.00 0.00 C ATOM 1391 NZ LYS A 86 -2.621 5.195 10.618 1.00 0.00 N ATOM 0 H LYS A 86 -2.809 2.408 7.482 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.863 0.549 6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.584 1.702 8.000 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.275 2.883 7.031 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.855 1.995 9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.324 2.710 9.838 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.900 4.811 9.039 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.786 4.166 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.709 4.653 8.849 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.313 3.298 9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.480 5.372 11.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.890 4.780 11.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.274 6.092 10.223 1.00 0.00 H new ATOM 1405 N GLU A 87 -1.513 -1.346 7.571 1.00 0.00 N ATOM 1406 CA GLU A 87 -1.540 -2.604 8.376 1.00 0.00 C ATOM 1407 C GLU A 87 -0.083 -3.116 8.537 1.00 0.00 C ATOM 1408 O GLU A 87 0.796 -2.814 7.728 1.00 0.00 O ATOM 1409 CB GLU A 87 -2.419 -3.581 7.591 1.00 0.00 C ATOM 1410 CG GLU A 87 -3.788 -2.945 7.307 1.00 0.00 C ATOM 1411 CD GLU A 87 -4.837 -3.533 8.252 1.00 0.00 C ATOM 1412 OE1 GLU A 87 -4.652 -3.425 9.450 1.00 0.00 O ATOM 1413 OE2 GLU A 87 -5.816 -4.073 7.759 1.00 0.00 O ATOM 0 H GLU A 87 -1.618 -1.481 6.565 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.945 -2.471 9.379 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.932 -3.849 6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.548 -4.503 8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.732 -1.864 7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.076 -3.126 6.271 1.00 0.00 H new ATOM 1420 N ARG A 88 0.183 -3.857 9.591 1.00 0.00 N ATOM 1421 CA ARG A 88 1.588 -4.331 9.877 1.00 0.00 C ATOM 1422 C ARG A 88 2.230 -5.061 8.690 1.00 0.00 C ATOM 1423 O ARG A 88 1.850 -6.153 8.323 1.00 0.00 O ATOM 1424 CB ARG A 88 1.439 -5.290 11.066 1.00 0.00 C ATOM 1425 CG ARG A 88 2.636 -5.136 12.011 1.00 0.00 C ATOM 1426 CD ARG A 88 2.158 -4.602 13.370 1.00 0.00 C ATOM 1427 NE ARG A 88 2.222 -3.113 13.257 1.00 0.00 N ATOM 1428 CZ ARG A 88 1.756 -2.365 14.221 1.00 0.00 C ATOM 1429 NH1 ARG A 88 2.497 -2.119 15.267 1.00 0.00 N ATOM 1430 NH2 ARG A 88 0.552 -1.866 14.132 1.00 0.00 N ATOM 0 H ARG A 88 -0.515 -4.158 10.272 1.00 0.00 H new ATOM 0 HA ARG A 88 2.244 -3.484 10.080 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.513 -5.080 11.601 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.375 -6.318 10.710 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.134 -6.097 12.142 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.368 -4.454 11.578 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.144 -4.936 13.588 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.793 -4.962 14.179 1.00 0.00 H new ATOM 0 HE ARG A 88 2.629 -2.681 12.428 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.437 -2.510 15.330 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.136 -1.535 16.022 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.021 -2.061 13.311 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.185 -1.282 14.883 1.00 0.00 H new ATOM 1444 N ILE A 89 3.224 -4.429 8.105 1.00 0.00 N ATOM 1445 CA ILE A 89 3.950 -5.013 6.930 1.00 0.00 C ATOM 1446 C ILE A 89 5.063 -5.973 7.388 1.00 0.00 C ATOM 1447 O ILE A 89 5.873 -5.639 8.232 1.00 0.00 O ATOM 1448 CB ILE A 89 4.570 -3.797 6.221 1.00 0.00 C ATOM 1449 CG1 ILE A 89 3.466 -2.823 5.789 1.00 0.00 C ATOM 1450 CG2 ILE A 89 5.360 -4.250 4.989 1.00 0.00 C ATOM 1451 CD1 ILE A 89 3.971 -1.384 5.916 1.00 0.00 C ATOM 0 H ILE A 89 3.568 -3.515 8.400 1.00 0.00 H new ATOM 0 HA ILE A 89 3.285 -5.590 6.287 1.00 0.00 H new ATOM 0 HB ILE A 89 5.244 -3.295 6.915 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.171 -3.026 4.760 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.580 -2.964 6.408 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.794 -3.381 4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.156 -4.928 5.296 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.692 -4.764 4.298 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.185 -0.694 5.609 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.244 -1.184 6.952 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.844 -1.247 5.278 1.00 0.00 H new ATOM 1463 N GLU A 90 5.121 -7.148 6.807 1.00 0.00 N ATOM 1464 CA GLU A 90 6.193 -8.129 7.171 1.00 0.00 C ATOM 1465 C GLU A 90 7.281 -8.112 6.087 1.00 0.00 C ATOM 1466 O GLU A 90 7.007 -7.795 4.942 1.00 0.00 O ATOM 1467 CB GLU A 90 5.494 -9.491 7.210 1.00 0.00 C ATOM 1468 CG GLU A 90 5.941 -10.269 8.452 1.00 0.00 C ATOM 1469 CD GLU A 90 6.293 -11.706 8.061 1.00 0.00 C ATOM 1470 OE1 GLU A 90 7.277 -11.884 7.364 1.00 0.00 O ATOM 1471 OE2 GLU A 90 5.570 -12.603 8.461 1.00 0.00 O ATOM 0 H GLU A 90 4.468 -7.471 6.093 1.00 0.00 H new ATOM 0 HA GLU A 90 6.671 -7.899 8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.413 -9.355 7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.732 -10.058 6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.805 -9.783 8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.147 -10.269 9.198 1.00 0.00 H new ATOM 1478 N LYS A 91 8.512 -8.431 6.415 1.00 0.00 N ATOM 1479 CA LYS A 91 9.575 -8.402 5.356 1.00 0.00 C ATOM 1480 C LYS A 91 10.845 -9.164 5.769 1.00 0.00 C ATOM 1481 O LYS A 91 11.728 -8.608 6.401 1.00 0.00 O ATOM 1482 CB LYS A 91 9.893 -6.911 5.142 1.00 0.00 C ATOM 1483 CG LYS A 91 9.923 -6.170 6.488 1.00 0.00 C ATOM 1484 CD LYS A 91 11.090 -5.177 6.506 1.00 0.00 C ATOM 1485 CE LYS A 91 12.080 -5.572 7.608 1.00 0.00 C ATOM 1486 NZ LYS A 91 13.263 -4.683 7.412 1.00 0.00 N ATOM 0 H LYS A 91 8.823 -8.704 7.347 1.00 0.00 H new ATOM 0 HA LYS A 91 9.223 -8.894 4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.855 -6.806 4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 91 9.143 -6.463 4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.982 -5.643 6.645 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.028 -6.884 7.305 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.591 -5.170 5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.719 -4.167 6.680 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.643 -5.433 8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.360 -6.622 7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.982 -4.898 8.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.663 -4.841 6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.969 -3.689 7.502 1.00 0.00 H new ATOM 1500 N LEU A 92 10.965 -10.416 5.380 1.00 0.00 N ATOM 1501 CA LEU A 92 12.215 -11.184 5.722 1.00 0.00 C ATOM 1502 C LEU A 92 12.295 -12.529 4.992 1.00 0.00 C ATOM 1503 O LEU A 92 11.424 -13.372 5.111 1.00 0.00 O ATOM 1504 CB LEU A 92 12.192 -11.389 7.243 1.00 0.00 C ATOM 1505 CG LEU A 92 10.938 -12.169 7.649 1.00 0.00 C ATOM 1506 CD1 LEU A 92 11.338 -13.549 8.173 1.00 0.00 C ATOM 1507 CD2 LEU A 92 10.194 -11.408 8.748 1.00 0.00 C ATOM 0 H LEU A 92 10.265 -10.934 4.849 1.00 0.00 H new ATOM 0 HA LEU A 92 13.096 -10.627 5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 92 13.084 -11.930 7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.209 -10.423 7.748 1.00 0.00 H new ATOM 0 HG LEU A 92 10.290 -12.283 6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 92 10.444 -14.102 8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.867 -14.096 7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.989 -13.434 9.040 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.302 -11.964 9.036 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.845 -11.292 9.615 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.905 -10.425 8.378 1.00 0.00 H new ATOM 1519 N GLU A 93 13.363 -12.743 4.266 1.00 0.00 N ATOM 1520 CA GLU A 93 13.549 -14.036 3.538 1.00 0.00 C ATOM 1521 C GLU A 93 14.076 -15.105 4.503 1.00 0.00 C ATOM 1522 O GLU A 93 15.121 -14.884 5.093 1.00 0.00 O ATOM 1523 CB GLU A 93 14.586 -13.740 2.449 1.00 0.00 C ATOM 1524 CG GLU A 93 14.568 -14.856 1.402 1.00 0.00 C ATOM 1525 CD GLU A 93 15.821 -14.758 0.531 1.00 0.00 C ATOM 1526 OE1 GLU A 93 15.873 -13.862 -0.297 1.00 0.00 O ATOM 1527 OE2 GLU A 93 16.708 -15.575 0.708 1.00 0.00 O ATOM 1528 OXT GLU A 93 13.415 -16.122 4.644 1.00 0.00 O ATOM 0 H GLU A 93 14.121 -12.071 4.145 1.00 0.00 H new ATOM 0 HA GLU A 93 12.617 -14.411 3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.368 -12.782 1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 93 15.579 -13.659 2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.528 -15.829 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.675 -14.774 0.783 1.00 0.00 H new TER 1535 GLU A 93