USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 879 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 20 THR OG1 : rot 40:sc= 0.145 USER MOD Set 1.2: A 25 TYR OH : rot 143:sc= 0.0908 USER MOD Set 1.3: A 104 LYS NZ :NH3+ -127:sc= 0.00864 (180deg=0) USER MOD Set 2.1: A 84 GLN : amide:sc= 1.89 K(o=2.8,f=-6.4!) USER MOD Set 2.2: A 87 LYS NZ :NH3+ -174:sc= 0.907 (180deg=0) USER MOD Set 3.1: A 65 ASN : amide:sc= 0.603 K(o=1.1,f=-0.23) USER MOD Set 3.2: A 81 GLN : amide:sc= 0.513 K(o=1.1,f=-0.66) USER MOD Set 4.1: A 31 GLN : amide:sc= 0.674 X(o=1.4,f=1.1) USER MOD Set 4.2: A 79 GLN : amide:sc= 0.759 X(o=1.4,f=1.1) USER MOD Set 5.1: A 27 HIS : no HD1:sc= 0.626 K(o=1.3,f=-4!) USER MOD Set 5.2: A 106 HIS : no HD1:sc= 0.673 K(o=1.3,f=-4.5!) USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.0859) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.02 (180deg=-0.0347) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0.09 K(o=0.09,f=-1.8) USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 1.67 (180deg=1.64) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -42:sc= 0.183 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00932 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0253 X(o=-0.025,f=-0.025) USER MOD Single : A 32 GLN : amide:sc= 0.237 K(o=0.24,f=-1.1) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -110:sc= 0.391 USER MOD Single : A 40 THR OG1 : rot 73:sc= 2.03 USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.000367 USER MOD Single : A 43 GLN : amide:sc= 2.03 K(o=2,f=-5!) USER MOD Single : A 49 TYR OH : rot -39:sc= 0.0253 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 0.429 (180deg=0.42) USER MOD Single : A 60 LYS NZ :NH3+ 174:sc= 0.72 (180deg=0.699) USER MOD Single : A 64 CYS SG : rot 46:sc= 0.131 USER MOD Single : A 67 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot -170:sc=-0.00172 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 84:sc= 0.598 USER MOD Single : A 95 GLN : amide:sc= 0.629 K(o=0.63,f=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 100 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00188) USER MOD Single : A 101 LYS NZ :NH3+ 155:sc= 1.02 (180deg=0.6) USER MOD Single : A 102 ASN : amide:sc= 0.579 K(o=0.58,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.575 36.736 -33.045 1.00 0.00 N ATOM 2 CA MET A 1 28.146 36.975 -32.639 1.00 0.00 C ATOM 3 C MET A 1 27.506 35.751 -31.942 1.00 0.00 C ATOM 4 O MET A 1 27.952 34.619 -32.145 1.00 0.00 O ATOM 5 CB MET A 1 27.271 37.405 -33.835 1.00 0.00 C ATOM 6 CG MET A 1 27.680 38.763 -34.430 1.00 0.00 C ATOM 7 SD MET A 1 26.622 39.357 -35.778 1.00 0.00 S ATOM 8 CE MET A 1 25.130 39.797 -34.849 1.00 0.00 C ATOM 0 H1 MET A 1 30.198 37.381 -32.518 1.00 0.00 H new ATOM 0 H2 MET A 1 29.836 35.752 -32.833 1.00 0.00 H new ATOM 0 H3 MET A 1 29.680 36.909 -34.065 1.00 0.00 H new ATOM 0 HA MET A 1 28.184 37.791 -31.917 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.330 36.643 -34.612 1.00 0.00 H new ATOM 0 HB3 MET A 1 26.230 37.455 -33.516 1.00 0.00 H new ATOM 0 HG2 MET A 1 27.680 39.507 -33.633 1.00 0.00 H new ATOM 0 HG3 MET A 1 28.704 38.689 -34.797 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.445 40.343 -35.498 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.644 38.890 -34.490 1.00 0.00 H new ATOM 0 HE3 MET A 1 25.402 40.424 -34.000 1.00 0.00 H new ATOM 20 N SER A 2 26.478 35.965 -31.121 1.00 0.00 N ATOM 21 CA SER A 2 25.747 34.899 -30.414 1.00 0.00 C ATOM 22 C SER A 2 24.943 33.989 -31.366 1.00 0.00 C ATOM 23 O SER A 2 24.479 34.426 -32.424 1.00 0.00 O ATOM 24 CB SER A 2 24.800 35.514 -29.371 1.00 0.00 C ATOM 25 OG SER A 2 25.502 36.369 -28.474 1.00 0.00 O ATOM 0 H SER A 2 26.119 36.899 -30.921 1.00 0.00 H new ATOM 0 HA SER A 2 26.496 34.275 -29.925 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.016 36.079 -29.876 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.309 34.719 -28.810 1.00 0.00 H new ATOM 0 HG SER A 2 24.874 36.747 -27.823 1.00 0.00 H new ATOM 31 N ILE A 3 24.741 32.722 -30.980 1.00 0.00 N ATOM 32 CA ILE A 3 24.030 31.690 -31.762 1.00 0.00 C ATOM 33 C ILE A 3 23.560 30.545 -30.846 1.00 0.00 C ATOM 34 O ILE A 3 24.180 30.277 -29.812 1.00 0.00 O ATOM 35 CB ILE A 3 24.917 31.202 -32.944 1.00 0.00 C ATOM 36 CG1 ILE A 3 24.199 30.276 -33.953 1.00 0.00 C ATOM 37 CG2 ILE A 3 26.198 30.496 -32.459 1.00 0.00 C ATOM 38 CD1 ILE A 3 22.973 30.911 -34.621 1.00 0.00 C ATOM 0 H ILE A 3 25.078 32.371 -30.084 1.00 0.00 H new ATOM 0 HA ILE A 3 23.131 32.122 -32.202 1.00 0.00 H new ATOM 0 HB ILE A 3 25.169 32.124 -33.467 1.00 0.00 H new ATOM 0 HG12 ILE A 3 24.908 29.979 -34.726 1.00 0.00 H new ATOM 0 HG13 ILE A 3 23.889 29.366 -33.439 1.00 0.00 H new ATOM 0 HG21 ILE A 3 26.784 30.174 -33.320 1.00 0.00 H new ATOM 0 HG22 ILE A 3 26.788 31.186 -31.856 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.929 29.628 -31.857 1.00 0.00 H new ATOM 0 HD11 ILE A 3 22.526 30.198 -35.314 1.00 0.00 H new ATOM 0 HD12 ILE A 3 22.243 31.182 -33.859 1.00 0.00 H new ATOM 0 HD13 ILE A 3 23.278 31.805 -35.166 1.00 0.00 H new ATOM 50 N GLU A 4 22.467 29.871 -31.216 1.00 0.00 N ATOM 51 CA GLU A 4 21.855 28.752 -30.488 1.00 0.00 C ATOM 52 C GLU A 4 20.943 27.952 -31.440 1.00 0.00 C ATOM 53 O GLU A 4 20.447 28.491 -32.433 1.00 0.00 O ATOM 54 CB GLU A 4 21.087 29.284 -29.258 1.00 0.00 C ATOM 55 CG GLU A 4 20.522 28.214 -28.311 1.00 0.00 C ATOM 56 CD GLU A 4 21.617 27.298 -27.743 1.00 0.00 C ATOM 57 OE1 GLU A 4 21.963 26.295 -28.411 1.00 0.00 O ATOM 58 OE2 GLU A 4 22.123 27.566 -26.628 1.00 0.00 O ATOM 0 H GLU A 4 21.960 30.100 -32.071 1.00 0.00 H new ATOM 0 HA GLU A 4 22.628 28.076 -30.123 1.00 0.00 H new ATOM 0 HB2 GLU A 4 21.754 29.931 -28.688 1.00 0.00 H new ATOM 0 HB3 GLU A 4 20.262 29.905 -29.608 1.00 0.00 H new ATOM 0 HG2 GLU A 4 19.997 28.701 -27.489 1.00 0.00 H new ATOM 0 HG3 GLU A 4 19.788 27.611 -28.845 1.00 0.00 H new ATOM 65 N ASN A 5 20.722 26.667 -31.143 1.00 0.00 N ATOM 66 CA ASN A 5 19.912 25.740 -31.949 1.00 0.00 C ATOM 67 C ASN A 5 19.350 24.582 -31.093 1.00 0.00 C ATOM 68 O ASN A 5 19.926 24.236 -30.058 1.00 0.00 O ATOM 69 CB ASN A 5 20.765 25.219 -33.125 1.00 0.00 C ATOM 70 CG ASN A 5 19.970 24.436 -34.171 1.00 0.00 C ATOM 71 OD1 ASN A 5 18.766 24.604 -34.337 1.00 0.00 O ATOM 72 ND2 ASN A 5 20.620 23.553 -34.908 1.00 0.00 N ATOM 0 H ASN A 5 21.113 26.227 -30.310 1.00 0.00 H new ATOM 0 HA ASN A 5 19.048 26.273 -32.346 1.00 0.00 H new ATOM 0 HB2 ASN A 5 21.251 26.065 -33.611 1.00 0.00 H new ATOM 0 HB3 ASN A 5 21.556 24.580 -32.732 1.00 0.00 H new ATOM 0 HD21 ASN A 5 20.121 23.012 -35.614 1.00 0.00 H new ATOM 0 HD22 ASN A 5 21.621 23.412 -34.771 1.00 0.00 H new ATOM 79 N LEU A 6 18.240 23.971 -31.524 1.00 0.00 N ATOM 80 CA LEU A 6 17.544 22.881 -30.823 1.00 0.00 C ATOM 81 C LEU A 6 18.480 21.688 -30.552 1.00 0.00 C ATOM 82 O LEU A 6 19.230 21.257 -31.431 1.00 0.00 O ATOM 83 CB LEU A 6 16.287 22.515 -31.642 1.00 0.00 C ATOM 84 CG LEU A 6 15.325 21.503 -30.976 1.00 0.00 C ATOM 85 CD1 LEU A 6 13.889 21.752 -31.466 1.00 0.00 C ATOM 86 CD2 LEU A 6 15.683 20.038 -31.286 1.00 0.00 C ATOM 0 H LEU A 6 17.785 24.229 -32.400 1.00 0.00 H new ATOM 0 HA LEU A 6 17.226 23.204 -29.832 1.00 0.00 H new ATOM 0 HB2 LEU A 6 15.734 23.430 -31.853 1.00 0.00 H new ATOM 0 HB3 LEU A 6 16.606 22.108 -32.601 1.00 0.00 H new ATOM 0 HG LEU A 6 15.415 21.656 -29.901 1.00 0.00 H new ATOM 0 HD11 LEU A 6 13.215 21.037 -30.995 1.00 0.00 H new ATOM 0 HD12 LEU A 6 13.585 22.765 -31.203 1.00 0.00 H new ATOM 0 HD13 LEU A 6 13.848 21.630 -32.548 1.00 0.00 H new ATOM 0 HD21 LEU A 6 14.972 19.377 -30.791 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.642 19.873 -32.363 1.00 0.00 H new ATOM 0 HD23 LEU A 6 16.689 19.825 -30.924 1.00 0.00 H new ATOM 98 N LYS A 7 18.416 21.153 -29.328 1.00 0.00 N ATOM 99 CA LYS A 7 19.259 20.053 -28.828 1.00 0.00 C ATOM 100 C LYS A 7 18.628 19.332 -27.616 1.00 0.00 C ATOM 101 O LYS A 7 17.816 19.907 -26.888 1.00 0.00 O ATOM 102 CB LYS A 7 20.683 20.571 -28.516 1.00 0.00 C ATOM 103 CG LYS A 7 20.724 21.724 -27.493 1.00 0.00 C ATOM 104 CD LYS A 7 22.149 22.160 -27.112 1.00 0.00 C ATOM 105 CE LYS A 7 23.059 22.529 -28.294 1.00 0.00 C ATOM 106 NZ LYS A 7 22.550 23.685 -29.072 1.00 0.00 N ATOM 0 H LYS A 7 17.751 21.485 -28.629 1.00 0.00 H new ATOM 0 HA LYS A 7 19.332 19.304 -29.616 1.00 0.00 H new ATOM 0 HB2 LYS A 7 21.284 19.744 -28.139 1.00 0.00 H new ATOM 0 HB3 LYS A 7 21.147 20.906 -29.443 1.00 0.00 H new ATOM 0 HG2 LYS A 7 20.188 22.581 -27.902 1.00 0.00 H new ATOM 0 HG3 LYS A 7 20.194 21.417 -26.591 1.00 0.00 H new ATOM 0 HD2 LYS A 7 22.082 23.019 -26.444 1.00 0.00 H new ATOM 0 HD3 LYS A 7 22.620 21.354 -26.549 1.00 0.00 H new ATOM 0 HE2 LYS A 7 24.057 22.759 -27.920 1.00 0.00 H new ATOM 0 HE3 LYS A 7 23.157 21.667 -28.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 23.145 23.826 -29.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 21.570 23.500 -29.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 22.577 24.540 -28.481 1.00 0.00 H new ATOM 120 N SER A 8 19.020 18.080 -27.388 1.00 0.00 N ATOM 121 CA SER A 8 18.562 17.211 -26.290 1.00 0.00 C ATOM 122 C SER A 8 19.463 15.965 -26.192 1.00 0.00 C ATOM 123 O SER A 8 20.050 15.544 -27.196 1.00 0.00 O ATOM 124 CB SER A 8 17.092 16.802 -26.493 1.00 0.00 C ATOM 125 OG SER A 8 16.585 16.137 -25.344 1.00 0.00 O ATOM 0 H SER A 8 19.699 17.615 -27.990 1.00 0.00 H new ATOM 0 HA SER A 8 18.630 17.768 -25.355 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.490 17.687 -26.701 1.00 0.00 H new ATOM 0 HB3 SER A 8 17.009 16.149 -27.362 1.00 0.00 H new ATOM 0 HG SER A 8 15.649 15.888 -25.496 1.00 0.00 H new ATOM 131 N PHE A 9 19.590 15.381 -24.993 1.00 0.00 N ATOM 132 CA PHE A 9 20.538 14.302 -24.685 1.00 0.00 C ATOM 133 C PHE A 9 19.934 13.283 -23.706 1.00 0.00 C ATOM 134 O PHE A 9 19.266 13.650 -22.738 1.00 0.00 O ATOM 135 CB PHE A 9 21.829 14.903 -24.094 1.00 0.00 C ATOM 136 CG PHE A 9 22.461 16.011 -24.921 1.00 0.00 C ATOM 137 CD1 PHE A 9 23.231 15.700 -26.057 1.00 0.00 C ATOM 138 CD2 PHE A 9 22.255 17.360 -24.568 1.00 0.00 C ATOM 139 CE1 PHE A 9 23.787 16.730 -26.838 1.00 0.00 C ATOM 140 CE2 PHE A 9 22.812 18.389 -25.348 1.00 0.00 C ATOM 141 CZ PHE A 9 23.577 18.074 -26.485 1.00 0.00 C ATOM 0 H PHE A 9 19.022 15.653 -24.190 1.00 0.00 H new ATOM 0 HA PHE A 9 20.768 13.775 -25.611 1.00 0.00 H new ATOM 0 HB2 PHE A 9 21.608 15.293 -23.100 1.00 0.00 H new ATOM 0 HB3 PHE A 9 22.559 14.103 -23.968 1.00 0.00 H new ATOM 0 HD1 PHE A 9 23.396 14.668 -26.330 1.00 0.00 H new ATOM 0 HD2 PHE A 9 21.667 17.604 -23.695 1.00 0.00 H new ATOM 0 HE1 PHE A 9 24.376 16.487 -27.710 1.00 0.00 H new ATOM 0 HE2 PHE A 9 22.652 19.421 -25.074 1.00 0.00 H new ATOM 0 HZ PHE A 9 24.003 18.864 -27.086 1.00 0.00 H new ATOM 151 N ASP A 10 20.201 11.995 -23.936 1.00 0.00 N ATOM 152 CA ASP A 10 19.809 10.885 -23.059 1.00 0.00 C ATOM 153 C ASP A 10 20.818 10.664 -21.903 1.00 0.00 C ATOM 154 O ASP A 10 22.024 10.842 -22.117 1.00 0.00 O ATOM 155 CB ASP A 10 19.650 9.601 -23.892 1.00 0.00 C ATOM 156 CG ASP A 10 20.950 9.149 -24.583 1.00 0.00 C ATOM 157 OD1 ASP A 10 21.365 9.808 -25.567 1.00 0.00 O ATOM 158 OD2 ASP A 10 21.535 8.126 -24.155 1.00 0.00 O ATOM 0 H ASP A 10 20.712 11.685 -24.763 1.00 0.00 H new ATOM 0 HA ASP A 10 18.855 11.144 -22.599 1.00 0.00 H new ATOM 0 HB2 ASP A 10 19.295 8.799 -23.244 1.00 0.00 H new ATOM 0 HB3 ASP A 10 18.883 9.762 -24.649 1.00 0.00 H new ATOM 163 N PRO A 11 20.366 10.244 -20.700 1.00 0.00 N ATOM 164 CA PRO A 11 21.250 9.821 -19.608 1.00 0.00 C ATOM 165 C PRO A 11 22.106 8.599 -19.974 1.00 0.00 C ATOM 166 O PRO A 11 23.274 8.533 -19.596 1.00 0.00 O ATOM 167 CB PRO A 11 20.326 9.491 -18.427 1.00 0.00 C ATOM 168 CG PRO A 11 19.048 10.267 -18.727 1.00 0.00 C ATOM 169 CD PRO A 11 18.981 10.228 -20.251 1.00 0.00 C ATOM 0 HA PRO A 11 21.960 10.614 -19.374 1.00 0.00 H new ATOM 0 HB2 PRO A 11 20.135 8.420 -18.357 1.00 0.00 H new ATOM 0 HB3 PRO A 11 20.766 9.799 -17.478 1.00 0.00 H new ATOM 0 HG2 PRO A 11 18.175 9.800 -18.271 1.00 0.00 H new ATOM 0 HG3 PRO A 11 19.097 11.289 -18.350 1.00 0.00 H new ATOM 0 HD2 PRO A 11 18.466 9.333 -20.599 1.00 0.00 H new ATOM 0 HD3 PRO A 11 18.431 11.084 -20.642 1.00 0.00 H new ATOM 177 N PHE A 12 21.519 7.652 -20.720 1.00 0.00 N ATOM 178 CA PHE A 12 22.075 6.373 -21.160 1.00 0.00 C ATOM 179 C PHE A 12 21.059 5.640 -22.058 1.00 0.00 C ATOM 180 O PHE A 12 19.844 5.807 -21.916 1.00 0.00 O ATOM 181 CB PHE A 12 22.522 5.499 -19.966 1.00 0.00 C ATOM 182 CG PHE A 12 21.523 5.363 -18.825 1.00 0.00 C ATOM 183 CD1 PHE A 12 20.398 4.526 -18.952 1.00 0.00 C ATOM 184 CD2 PHE A 12 21.726 6.069 -17.622 1.00 0.00 C ATOM 185 CE1 PHE A 12 19.482 4.401 -17.894 1.00 0.00 C ATOM 186 CE2 PHE A 12 20.811 5.945 -16.562 1.00 0.00 C ATOM 187 CZ PHE A 12 19.687 5.111 -16.697 1.00 0.00 C ATOM 0 H PHE A 12 20.564 7.776 -21.057 1.00 0.00 H new ATOM 0 HA PHE A 12 22.972 6.572 -21.747 1.00 0.00 H new ATOM 0 HB2 PHE A 12 22.755 4.502 -20.339 1.00 0.00 H new ATOM 0 HB3 PHE A 12 23.447 5.913 -19.565 1.00 0.00 H new ATOM 0 HD1 PHE A 12 20.238 3.977 -19.868 1.00 0.00 H new ATOM 0 HD2 PHE A 12 22.589 6.709 -17.514 1.00 0.00 H new ATOM 0 HE1 PHE A 12 18.620 3.759 -18.000 1.00 0.00 H new ATOM 0 HE2 PHE A 12 20.971 6.490 -15.644 1.00 0.00 H new ATOM 0 HZ PHE A 12 18.983 5.016 -15.884 1.00 0.00 H new ATOM 197 N ALA A 13 21.565 4.803 -22.968 1.00 0.00 N ATOM 198 CA ALA A 13 20.753 4.000 -23.894 1.00 0.00 C ATOM 199 C ALA A 13 20.100 2.765 -23.231 1.00 0.00 C ATOM 200 O ALA A 13 19.061 2.295 -23.698 1.00 0.00 O ATOM 201 CB ALA A 13 21.652 3.588 -25.067 1.00 0.00 C ATOM 0 H ALA A 13 22.568 4.660 -23.086 1.00 0.00 H new ATOM 0 HA ALA A 13 19.917 4.609 -24.237 1.00 0.00 H new ATOM 0 HB1 ALA A 13 21.077 2.989 -25.773 1.00 0.00 H new ATOM 0 HB2 ALA A 13 22.027 4.480 -25.569 1.00 0.00 H new ATOM 0 HB3 ALA A 13 22.491 3.002 -24.694 1.00 0.00 H new ATOM 207 N ASP A 14 20.683 2.263 -22.138 1.00 0.00 N ATOM 208 CA ASP A 14 20.241 1.094 -21.365 1.00 0.00 C ATOM 209 C ASP A 14 20.891 1.067 -19.965 1.00 0.00 C ATOM 210 O ASP A 14 21.964 1.646 -19.761 1.00 0.00 O ATOM 211 CB ASP A 14 20.514 -0.215 -22.133 1.00 0.00 C ATOM 212 CG ASP A 14 22.011 -0.519 -22.327 1.00 0.00 C ATOM 213 OD1 ASP A 14 22.596 -0.068 -23.341 1.00 0.00 O ATOM 214 OD2 ASP A 14 22.590 -1.244 -21.483 1.00 0.00 O ATOM 0 H ASP A 14 21.525 2.685 -21.745 1.00 0.00 H new ATOM 0 HA ASP A 14 19.163 1.179 -21.224 1.00 0.00 H new ATOM 0 HB2 ASP A 14 20.051 -1.043 -21.597 1.00 0.00 H new ATOM 0 HB3 ASP A 14 20.034 -0.159 -23.110 1.00 0.00 H new ATOM 219 N THR A 15 20.231 0.403 -19.005 1.00 0.00 N ATOM 220 CA THR A 15 20.678 0.316 -17.601 1.00 0.00 C ATOM 221 C THR A 15 21.613 -0.879 -17.425 1.00 0.00 C ATOM 222 O THR A 15 21.290 -1.990 -17.851 1.00 0.00 O ATOM 223 CB THR A 15 19.490 0.220 -16.628 1.00 0.00 C ATOM 224 OG1 THR A 15 18.511 1.188 -16.951 1.00 0.00 O ATOM 225 CG2 THR A 15 19.927 0.510 -15.190 1.00 0.00 C ATOM 0 H THR A 15 19.359 -0.097 -19.181 1.00 0.00 H new ATOM 0 HA THR A 15 21.218 1.233 -17.364 1.00 0.00 H new ATOM 0 HB THR A 15 19.095 -0.792 -16.713 1.00 0.00 H new ATOM 0 HG1 THR A 15 18.950 2.035 -17.176 1.00 0.00 H new ATOM 0 HG21 THR A 15 19.066 0.435 -14.526 1.00 0.00 H new ATOM 0 HG22 THR A 15 20.684 -0.214 -14.887 1.00 0.00 H new ATOM 0 HG23 THR A 15 20.343 1.516 -15.132 1.00 0.00 H new ATOM 233 N GLY A 16 22.757 -0.664 -16.767 1.00 0.00 N ATOM 234 CA GLY A 16 23.825 -1.665 -16.585 1.00 0.00 C ATOM 235 C GLY A 16 23.654 -2.604 -15.382 1.00 0.00 C ATOM 236 O GLY A 16 24.573 -3.361 -15.073 1.00 0.00 O ATOM 0 H GLY A 16 22.976 0.233 -16.333 1.00 0.00 H new ATOM 0 HA2 GLY A 16 23.890 -2.270 -17.489 1.00 0.00 H new ATOM 0 HA3 GLY A 16 24.776 -1.142 -16.483 1.00 0.00 H new ATOM 240 N ASP A 17 22.508 -2.558 -14.697 1.00 0.00 N ATOM 241 CA ASP A 17 22.204 -3.303 -13.466 1.00 0.00 C ATOM 242 C ASP A 17 20.682 -3.399 -13.223 1.00 0.00 C ATOM 243 O ASP A 17 19.903 -2.581 -13.717 1.00 0.00 O ATOM 244 CB ASP A 17 22.922 -2.634 -12.274 1.00 0.00 C ATOM 245 CG ASP A 17 22.698 -3.339 -10.922 1.00 0.00 C ATOM 246 OD1 ASP A 17 22.619 -4.590 -10.883 1.00 0.00 O ATOM 247 OD2 ASP A 17 22.600 -2.626 -9.895 1.00 0.00 O ATOM 0 H ASP A 17 21.728 -1.973 -14.998 1.00 0.00 H new ATOM 0 HA ASP A 17 22.569 -4.324 -13.573 1.00 0.00 H new ATOM 0 HB2 ASP A 17 23.992 -2.602 -12.481 1.00 0.00 H new ATOM 0 HB3 ASP A 17 22.582 -1.602 -12.193 1.00 0.00 H new ATOM 252 N ASP A 18 20.269 -4.398 -12.441 1.00 0.00 N ATOM 253 CA ASP A 18 18.884 -4.670 -12.036 1.00 0.00 C ATOM 254 C ASP A 18 18.754 -5.222 -10.595 1.00 0.00 C ATOM 255 O ASP A 18 17.658 -5.607 -10.183 1.00 0.00 O ATOM 256 CB ASP A 18 18.215 -5.597 -13.072 1.00 0.00 C ATOM 257 CG ASP A 18 18.576 -7.084 -12.900 1.00 0.00 C ATOM 258 OD1 ASP A 18 19.743 -7.466 -13.154 1.00 0.00 O ATOM 259 OD2 ASP A 18 17.672 -7.871 -12.527 1.00 0.00 O ATOM 0 H ASP A 18 20.924 -5.076 -12.051 1.00 0.00 H new ATOM 0 HA ASP A 18 18.358 -3.716 -12.015 1.00 0.00 H new ATOM 0 HB2 ASP A 18 17.133 -5.485 -13.001 1.00 0.00 H new ATOM 0 HB3 ASP A 18 18.504 -5.276 -14.073 1.00 0.00 H new ATOM 264 N GLU A 19 19.849 -5.274 -9.824 1.00 0.00 N ATOM 265 CA GLU A 19 19.857 -5.774 -8.445 1.00 0.00 C ATOM 266 C GLU A 19 19.022 -4.879 -7.507 1.00 0.00 C ATOM 267 O GLU A 19 19.173 -3.651 -7.490 1.00 0.00 O ATOM 268 CB GLU A 19 21.308 -5.912 -7.954 1.00 0.00 C ATOM 269 CG GLU A 19 21.405 -6.579 -6.576 1.00 0.00 C ATOM 270 CD GLU A 19 22.870 -6.808 -6.176 1.00 0.00 C ATOM 271 OE1 GLU A 19 23.486 -5.903 -5.565 1.00 0.00 O ATOM 272 OE2 GLU A 19 23.414 -7.903 -6.458 1.00 0.00 O ATOM 0 H GLU A 19 20.766 -4.965 -10.147 1.00 0.00 H new ATOM 0 HA GLU A 19 19.388 -6.758 -8.430 1.00 0.00 H new ATOM 0 HB2 GLU A 19 21.878 -6.496 -8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 19 21.767 -4.925 -7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 19 20.914 -5.954 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 19 20.876 -7.532 -6.591 1.00 0.00 H new ATOM 279 N THR A 20 18.149 -5.506 -6.709 1.00 0.00 N ATOM 280 CA THR A 20 17.245 -4.848 -5.751 1.00 0.00 C ATOM 281 C THR A 20 17.939 -4.583 -4.417 1.00 0.00 C ATOM 282 O THR A 20 18.542 -5.489 -3.838 1.00 0.00 O ATOM 283 CB THR A 20 15.983 -5.693 -5.530 1.00 0.00 C ATOM 284 OG1 THR A 20 16.340 -7.031 -5.245 1.00 0.00 O ATOM 285 CG2 THR A 20 15.090 -5.700 -6.772 1.00 0.00 C ATOM 0 H THR A 20 18.047 -6.521 -6.711 1.00 0.00 H new ATOM 0 HA THR A 20 16.958 -3.887 -6.179 1.00 0.00 H new ATOM 0 HB THR A 20 15.440 -5.250 -4.695 1.00 0.00 H new ATOM 0 HG1 THR A 20 17.120 -7.042 -4.652 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.206 -6.308 -6.581 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.786 -4.680 -7.007 1.00 0.00 H new ATOM 0 HG23 THR A 20 15.642 -6.117 -7.614 1.00 0.00 H new ATOM 293 N ALA A 21 17.814 -3.359 -3.901 1.00 0.00 N ATOM 294 CA ALA A 21 18.267 -2.983 -2.559 1.00 0.00 C ATOM 295 C ALA A 21 17.202 -3.303 -1.494 1.00 0.00 C ATOM 296 O ALA A 21 16.003 -3.131 -1.736 1.00 0.00 O ATOM 297 CB ALA A 21 18.634 -1.491 -2.565 1.00 0.00 C ATOM 0 H ALA A 21 17.387 -2.587 -4.413 1.00 0.00 H new ATOM 0 HA ALA A 21 19.148 -3.569 -2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.973 -1.196 -1.572 1.00 0.00 H new ATOM 0 HB2 ALA A 21 19.431 -1.315 -3.288 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.759 -0.902 -2.839 1.00 0.00 H new ATOM 303 N THR A 22 17.639 -3.717 -0.297 1.00 0.00 N ATOM 304 CA THR A 22 16.775 -4.050 0.854 1.00 0.00 C ATOM 305 C THR A 22 15.938 -2.861 1.312 1.00 0.00 C ATOM 306 O THR A 22 14.740 -3.005 1.546 1.00 0.00 O ATOM 307 CB THR A 22 17.614 -4.589 2.021 1.00 0.00 C ATOM 308 OG1 THR A 22 18.720 -3.735 2.239 1.00 0.00 O ATOM 309 CG2 THR A 22 18.140 -5.996 1.722 1.00 0.00 C ATOM 0 H THR A 22 18.631 -3.834 -0.092 1.00 0.00 H new ATOM 0 HA THR A 22 16.085 -4.825 0.520 1.00 0.00 H new ATOM 0 HB THR A 22 16.976 -4.629 2.904 1.00 0.00 H new ATOM 0 HG1 THR A 22 19.255 -4.077 2.985 1.00 0.00 H new ATOM 0 HG21 THR A 22 18.730 -6.351 2.567 1.00 0.00 H new ATOM 0 HG22 THR A 22 17.300 -6.671 1.557 1.00 0.00 H new ATOM 0 HG23 THR A 22 18.764 -5.969 0.829 1.00 0.00 H new ATOM 317 N SER A 23 16.539 -1.677 1.375 1.00 0.00 N ATOM 318 CA SER A 23 15.874 -0.421 1.760 1.00 0.00 C ATOM 319 C SER A 23 14.851 0.093 0.725 1.00 0.00 C ATOM 320 O SER A 23 14.028 0.952 1.051 1.00 0.00 O ATOM 321 CB SER A 23 16.935 0.667 1.995 1.00 0.00 C ATOM 322 OG SER A 23 17.910 0.257 2.948 1.00 0.00 O ATOM 0 H SER A 23 17.527 -1.553 1.155 1.00 0.00 H new ATOM 0 HA SER A 23 15.315 -0.640 2.670 1.00 0.00 H new ATOM 0 HB2 SER A 23 17.426 0.905 1.052 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.450 1.580 2.341 1.00 0.00 H new ATOM 0 HG SER A 23 18.569 0.972 3.071 1.00 0.00 H new ATOM 328 N ASN A 24 14.890 -0.410 -0.518 1.00 0.00 N ATOM 329 CA ASN A 24 13.973 -0.020 -1.597 1.00 0.00 C ATOM 330 C ASN A 24 12.684 -0.871 -1.641 1.00 0.00 C ATOM 331 O ASN A 24 11.708 -0.478 -2.285 1.00 0.00 O ATOM 332 CB ASN A 24 14.742 -0.092 -2.928 1.00 0.00 C ATOM 333 CG ASN A 24 13.940 0.463 -4.102 1.00 0.00 C ATOM 334 OD1 ASN A 24 13.609 1.644 -4.152 1.00 0.00 O ATOM 335 ND2 ASN A 24 13.604 -0.363 -5.079 1.00 0.00 N ATOM 0 H ASN A 24 15.572 -1.112 -0.806 1.00 0.00 H new ATOM 0 HA ASN A 24 13.631 0.998 -1.410 1.00 0.00 H new ATOM 0 HB2 ASN A 24 15.674 0.465 -2.835 1.00 0.00 H new ATOM 0 HB3 ASN A 24 15.009 -1.129 -3.133 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.069 -0.019 -5.876 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.880 -1.344 -5.035 1.00 0.00 H new ATOM 342 N TYR A 25 12.647 -2.028 -0.966 1.00 0.00 N ATOM 343 CA TYR A 25 11.470 -2.904 -0.960 1.00 0.00 C ATOM 344 C TYR A 25 10.302 -2.343 -0.136 1.00 0.00 C ATOM 345 O TYR A 25 10.473 -1.866 0.988 1.00 0.00 O ATOM 346 CB TYR A 25 11.820 -4.304 -0.436 1.00 0.00 C ATOM 347 CG TYR A 25 12.292 -5.278 -1.492 1.00 0.00 C ATOM 348 CD1 TYR A 25 11.348 -5.883 -2.343 1.00 0.00 C ATOM 349 CD2 TYR A 25 13.652 -5.622 -1.598 1.00 0.00 C ATOM 350 CE1 TYR A 25 11.753 -6.853 -3.277 1.00 0.00 C ATOM 351 CE2 TYR A 25 14.069 -6.582 -2.542 1.00 0.00 C ATOM 352 CZ TYR A 25 13.118 -7.205 -3.382 1.00 0.00 C ATOM 353 OH TYR A 25 13.504 -8.160 -4.272 1.00 0.00 O ATOM 0 H TYR A 25 13.428 -2.380 -0.412 1.00 0.00 H new ATOM 0 HA TYR A 25 11.149 -2.964 -2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.597 -4.209 0.323 1.00 0.00 H new ATOM 0 HB3 TYR A 25 10.942 -4.722 0.057 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.308 -5.601 -2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.379 -5.149 -0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.022 -7.329 -3.914 1.00 0.00 H new ATOM 0 HE2 TYR A 25 15.114 -6.841 -2.623 1.00 0.00 H new ATOM 0 HH TYR A 25 14.370 -7.915 -4.660 1.00 0.00 H new ATOM 363 N ILE A 26 9.097 -2.484 -0.689 1.00 0.00 N ATOM 364 CA ILE A 26 7.823 -2.237 0.000 1.00 0.00 C ATOM 365 C ILE A 26 7.315 -3.571 0.542 1.00 0.00 C ATOM 366 O ILE A 26 7.190 -4.534 -0.209 1.00 0.00 O ATOM 367 CB ILE A 26 6.777 -1.588 -0.941 1.00 0.00 C ATOM 368 CG1 ILE A 26 7.404 -0.387 -1.682 1.00 0.00 C ATOM 369 CG2 ILE A 26 5.528 -1.188 -0.127 1.00 0.00 C ATOM 370 CD1 ILE A 26 6.413 0.501 -2.442 1.00 0.00 C ATOM 0 H ILE A 26 8.973 -2.782 -1.657 1.00 0.00 H new ATOM 0 HA ILE A 26 7.982 -1.532 0.816 1.00 0.00 H new ATOM 0 HB ILE A 26 6.462 -2.304 -1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.937 0.229 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.145 -0.763 -2.387 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.793 -0.732 -0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.097 -2.075 0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.811 -0.475 0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.952 1.315 -2.927 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.897 -0.093 -3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.685 0.914 -1.744 1.00 0.00 H new ATOM 382 N HIS A 27 7.012 -3.635 1.831 1.00 0.00 N ATOM 383 CA HIS A 27 6.474 -4.818 2.498 1.00 0.00 C ATOM 384 C HIS A 27 4.991 -4.587 2.826 1.00 0.00 C ATOM 385 O HIS A 27 4.658 -3.704 3.620 1.00 0.00 O ATOM 386 CB HIS A 27 7.312 -5.102 3.753 1.00 0.00 C ATOM 387 CG HIS A 27 8.772 -5.334 3.461 1.00 0.00 C ATOM 388 ND1 HIS A 27 9.359 -6.573 3.199 1.00 0.00 N ATOM 389 CD2 HIS A 27 9.731 -4.367 3.397 1.00 0.00 C ATOM 390 CE1 HIS A 27 10.658 -6.316 2.973 1.00 0.00 C ATOM 391 NE2 HIS A 27 10.912 -5.000 3.085 1.00 0.00 N ATOM 0 H HIS A 27 7.136 -2.843 2.462 1.00 0.00 H new ATOM 0 HA HIS A 27 6.532 -5.693 1.850 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.216 -4.263 4.442 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.907 -5.978 4.260 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.591 -3.309 3.560 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.398 -7.065 2.734 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.819 -4.551 2.961 1.00 0.00 H new ATOM 399 N ILE A 28 4.093 -5.364 2.211 1.00 0.00 N ATOM 400 CA ILE A 28 2.642 -5.288 2.452 1.00 0.00 C ATOM 401 C ILE A 28 2.244 -6.528 3.259 1.00 0.00 C ATOM 402 O ILE A 28 2.290 -7.652 2.755 1.00 0.00 O ATOM 403 CB ILE A 28 1.844 -5.129 1.135 1.00 0.00 C ATOM 404 CG1 ILE A 28 2.400 -3.961 0.277 1.00 0.00 C ATOM 405 CG2 ILE A 28 0.358 -4.879 1.478 1.00 0.00 C ATOM 406 CD1 ILE A 28 1.799 -3.891 -1.129 1.00 0.00 C ATOM 0 H ILE A 28 4.353 -6.072 1.524 1.00 0.00 H new ATOM 0 HA ILE A 28 2.395 -4.395 3.026 1.00 0.00 H new ATOM 0 HB ILE A 28 1.943 -6.043 0.549 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.208 -3.020 0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.482 -4.065 0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.214 -4.765 0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.032 -5.724 2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.270 -3.971 2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.235 -3.051 -1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.014 -4.817 -1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.720 -3.756 -1.057 1.00 0.00 H new ATOM 418 N ARG A 29 1.923 -6.302 4.534 1.00 0.00 N ATOM 419 CA ARG A 29 1.715 -7.316 5.576 1.00 0.00 C ATOM 420 C ARG A 29 0.271 -7.280 6.093 1.00 0.00 C ATOM 421 O ARG A 29 -0.494 -6.381 5.750 1.00 0.00 O ATOM 422 CB ARG A 29 2.682 -7.042 6.752 1.00 0.00 C ATOM 423 CG ARG A 29 4.158 -6.827 6.367 1.00 0.00 C ATOM 424 CD ARG A 29 5.012 -6.582 7.619 1.00 0.00 C ATOM 425 NE ARG A 29 6.413 -6.280 7.278 1.00 0.00 N ATOM 426 CZ ARG A 29 7.381 -7.135 6.977 1.00 0.00 C ATOM 427 NH1 ARG A 29 7.192 -8.437 6.923 1.00 0.00 N ATOM 428 NH2 ARG A 29 8.576 -6.656 6.724 1.00 0.00 N ATOM 0 H ARG A 29 1.793 -5.355 4.890 1.00 0.00 H new ATOM 0 HA ARG A 29 1.908 -8.300 5.148 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.333 -6.159 7.287 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.625 -7.879 7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.531 -7.700 5.831 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.243 -5.977 5.690 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.591 -5.754 8.189 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.976 -7.462 8.261 1.00 0.00 H new ATOM 0 HE ARG A 29 6.670 -5.293 7.273 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.270 -8.827 7.117 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.968 -9.056 6.687 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.741 -5.650 6.762 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.340 -7.290 6.490 1.00 0.00 H new ATOM 442 N ILE A 30 -0.109 -8.229 6.950 1.00 0.00 N ATOM 443 CA ILE A 30 -1.371 -8.199 7.714 1.00 0.00 C ATOM 444 C ILE A 30 -1.023 -8.264 9.212 1.00 0.00 C ATOM 445 O ILE A 30 -0.081 -8.956 9.603 1.00 0.00 O ATOM 446 CB ILE A 30 -2.332 -9.327 7.261 1.00 0.00 C ATOM 447 CG1 ILE A 30 -2.609 -9.242 5.737 1.00 0.00 C ATOM 448 CG2 ILE A 30 -3.662 -9.223 8.030 1.00 0.00 C ATOM 449 CD1 ILE A 30 -3.511 -10.354 5.185 1.00 0.00 C ATOM 0 H ILE A 30 0.456 -9.056 7.140 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.912 -7.272 7.523 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.857 -10.284 7.476 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.069 -8.278 5.519 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.657 -9.269 5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.333 -10.019 7.706 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.473 -9.320 9.099 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.123 -8.256 7.830 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.649 -10.212 4.113 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.046 -11.323 5.366 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.480 -10.317 5.683 1.00 0.00 H new ATOM 461 N GLN A 31 -1.750 -7.527 10.054 1.00 0.00 N ATOM 462 CA GLN A 31 -1.518 -7.506 11.504 1.00 0.00 C ATOM 463 C GLN A 31 -2.228 -8.673 12.211 1.00 0.00 C ATOM 464 O GLN A 31 -3.154 -9.282 11.674 1.00 0.00 O ATOM 465 CB GLN A 31 -1.958 -6.159 12.105 1.00 0.00 C ATOM 466 CG GLN A 31 -1.130 -4.980 11.566 1.00 0.00 C ATOM 467 CD GLN A 31 -1.339 -3.702 12.382 1.00 0.00 C ATOM 468 OE1 GLN A 31 -2.014 -2.767 11.970 1.00 0.00 O ATOM 469 NE2 GLN A 31 -0.778 -3.602 13.570 1.00 0.00 N ATOM 0 H GLN A 31 -2.517 -6.927 9.752 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.447 -7.627 11.666 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.012 -5.992 11.883 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.864 -6.200 13.190 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.073 -5.246 11.577 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.401 -4.793 10.527 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.212 -4.369 13.933 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.910 -2.758 14.127 1.00 0.00 H new ATOM 478 N GLN A 32 -1.813 -8.980 13.444 1.00 0.00 N ATOM 479 CA GLN A 32 -2.396 -10.061 14.240 1.00 0.00 C ATOM 480 C GLN A 32 -3.701 -9.557 14.880 1.00 0.00 C ATOM 481 O GLN A 32 -3.674 -8.779 15.838 1.00 0.00 O ATOM 482 CB GLN A 32 -1.388 -10.569 15.291 1.00 0.00 C ATOM 483 CG GLN A 32 -0.066 -11.101 14.699 1.00 0.00 C ATOM 484 CD GLN A 32 0.890 -10.002 14.213 1.00 0.00 C ATOM 485 OE1 GLN A 32 1.122 -8.997 14.876 1.00 0.00 O ATOM 486 NE2 GLN A 32 1.451 -10.113 13.030 1.00 0.00 N ATOM 0 H GLN A 32 -1.060 -8.482 13.919 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.631 -10.912 13.601 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.162 -9.757 15.982 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.857 -11.362 15.873 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.442 -11.702 15.453 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.295 -11.764 13.865 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.275 -10.939 12.458 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.062 -9.373 12.684 1.00 0.00 H new ATOM 495 N ARG A 33 -4.845 -9.979 14.323 1.00 0.00 N ATOM 496 CA ARG A 33 -6.185 -9.471 14.648 1.00 0.00 C ATOM 497 C ARG A 33 -7.176 -10.621 14.885 1.00 0.00 C ATOM 498 O ARG A 33 -7.132 -11.645 14.197 1.00 0.00 O ATOM 499 CB ARG A 33 -6.696 -8.583 13.494 1.00 0.00 C ATOM 500 CG ARG A 33 -5.836 -7.339 13.182 1.00 0.00 C ATOM 501 CD ARG A 33 -5.663 -6.362 14.349 1.00 0.00 C ATOM 502 NE ARG A 33 -6.961 -5.875 14.849 1.00 0.00 N ATOM 503 CZ ARG A 33 -7.350 -5.801 16.116 1.00 0.00 C ATOM 504 NH1 ARG A 33 -6.601 -6.230 17.109 1.00 0.00 N ATOM 505 NH2 ARG A 33 -8.524 -5.286 16.403 1.00 0.00 N ATOM 0 H ARG A 33 -4.863 -10.708 13.610 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.113 -8.887 15.565 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.763 -9.192 12.593 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.707 -8.254 13.733 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.850 -7.670 12.856 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.286 -6.805 12.345 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.123 -6.853 15.158 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.056 -5.516 14.028 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.631 -5.562 14.147 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.685 -6.637 16.918 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.936 -6.155 18.070 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -9.129 -4.947 15.655 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.831 -5.225 17.374 1.00 0.00 H new ATOM 519 N ASN A 34 -8.094 -10.438 15.838 1.00 0.00 N ATOM 520 CA ASN A 34 -9.163 -11.393 16.150 1.00 0.00 C ATOM 521 C ASN A 34 -10.383 -11.179 15.233 1.00 0.00 C ATOM 522 O ASN A 34 -10.864 -10.052 15.080 1.00 0.00 O ATOM 523 CB ASN A 34 -9.559 -11.261 17.630 1.00 0.00 C ATOM 524 CG ASN A 34 -8.407 -11.606 18.571 1.00 0.00 C ATOM 525 OD1 ASN A 34 -7.733 -10.731 19.104 1.00 0.00 O ATOM 526 ND2 ASN A 34 -8.133 -12.881 18.789 1.00 0.00 N ATOM 0 H ASN A 34 -8.116 -9.605 16.427 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.793 -12.403 15.972 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.892 -10.242 17.825 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -10.404 -11.917 17.838 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.359 -13.139 19.402 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.695 -13.607 18.344 1.00 0.00 H new ATOM 533 N GLY A 35 -10.898 -12.258 14.629 1.00 0.00 N ATOM 534 CA GLY A 35 -12.044 -12.213 13.709 1.00 0.00 C ATOM 535 C GLY A 35 -11.748 -11.406 12.440 1.00 0.00 C ATOM 536 O GLY A 35 -10.609 -11.369 11.967 1.00 0.00 O ATOM 0 H GLY A 35 -10.527 -13.198 14.767 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.323 -13.230 13.432 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.900 -11.776 14.222 1.00 0.00 H new ATOM 540 N ARG A 36 -12.775 -10.738 11.899 1.00 0.00 N ATOM 541 CA ARG A 36 -12.682 -9.890 10.697 1.00 0.00 C ATOM 542 C ARG A 36 -12.221 -8.446 10.990 1.00 0.00 C ATOM 543 O ARG A 36 -12.261 -7.588 10.110 1.00 0.00 O ATOM 544 CB ARG A 36 -14.014 -9.982 9.919 1.00 0.00 C ATOM 545 CG ARG A 36 -14.015 -9.427 8.478 1.00 0.00 C ATOM 546 CD ARG A 36 -12.820 -9.851 7.608 1.00 0.00 C ATOM 547 NE ARG A 36 -12.761 -11.315 7.439 1.00 0.00 N ATOM 548 CZ ARG A 36 -11.717 -12.116 7.623 1.00 0.00 C ATOM 549 NH1 ARG A 36 -10.537 -11.680 8.015 1.00 0.00 N ATOM 550 NH2 ARG A 36 -11.853 -13.408 7.411 1.00 0.00 N ATOM 0 H ARG A 36 -13.716 -10.771 12.291 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.885 -10.272 10.059 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.314 -11.029 9.881 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.778 -9.452 10.488 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.933 -9.745 7.985 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.040 -8.338 8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.894 -9.374 6.630 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.895 -9.500 8.064 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.627 -11.767 7.145 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.394 -10.686 8.192 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.767 -12.337 8.142 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.752 -13.783 7.109 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.059 -14.034 7.549 1.00 0.00 H new ATOM 564 N LYS A 37 -11.708 -8.152 12.192 1.00 0.00 N ATOM 565 CA LYS A 37 -11.109 -6.851 12.577 1.00 0.00 C ATOM 566 C LYS A 37 -9.707 -6.613 11.946 1.00 0.00 C ATOM 567 O LYS A 37 -8.824 -6.016 12.571 1.00 0.00 O ATOM 568 CB LYS A 37 -11.078 -6.749 14.118 1.00 0.00 C ATOM 569 CG LYS A 37 -12.455 -6.914 14.783 1.00 0.00 C ATOM 570 CD LYS A 37 -12.335 -6.766 16.308 1.00 0.00 C ATOM 571 CE LYS A 37 -13.695 -6.840 17.021 1.00 0.00 C ATOM 572 NZ LYS A 37 -14.300 -8.199 16.971 1.00 0.00 N ATOM 0 H LYS A 37 -11.694 -8.830 12.954 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.735 -6.055 12.175 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.403 -7.511 14.509 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.663 -5.781 14.400 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.146 -6.167 14.392 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.870 -7.892 14.538 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.684 -7.550 16.695 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.859 -5.813 16.540 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.571 -6.541 18.062 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.379 -6.126 16.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.214 -8.190 17.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.446 -8.478 15.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.663 -8.880 17.432 1.00 0.00 H new ATOM 586 N THR A 38 -9.491 -7.145 10.737 1.00 0.00 N ATOM 587 CA THR A 38 -8.225 -7.282 9.998 1.00 0.00 C ATOM 588 C THR A 38 -7.683 -5.925 9.558 1.00 0.00 C ATOM 589 O THR A 38 -8.453 -5.053 9.155 1.00 0.00 O ATOM 590 CB THR A 38 -8.473 -8.177 8.774 1.00 0.00 C ATOM 591 OG1 THR A 38 -9.223 -9.310 9.162 1.00 0.00 O ATOM 592 CG2 THR A 38 -7.184 -8.672 8.123 1.00 0.00 C ATOM 0 H THR A 38 -10.269 -7.527 10.199 1.00 0.00 H new ATOM 0 HA THR A 38 -7.477 -7.731 10.652 1.00 0.00 H new ATOM 0 HB THR A 38 -9.008 -7.565 8.048 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.656 -10.108 9.118 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.427 -9.299 7.265 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.592 -7.818 7.793 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.611 -9.253 8.846 1.00 0.00 H new ATOM 600 N LEU A 39 -6.355 -5.766 9.596 1.00 0.00 N ATOM 601 CA LEU A 39 -5.639 -4.593 9.087 1.00 0.00 C ATOM 602 C LEU A 39 -4.460 -5.029 8.209 1.00 0.00 C ATOM 603 O LEU A 39 -3.619 -5.821 8.646 1.00 0.00 O ATOM 604 CB LEU A 39 -5.122 -3.721 10.254 1.00 0.00 C ATOM 605 CG LEU A 39 -6.207 -3.106 11.162 1.00 0.00 C ATOM 606 CD1 LEU A 39 -5.539 -2.414 12.354 1.00 0.00 C ATOM 607 CD2 LEU A 39 -7.072 -2.078 10.419 1.00 0.00 C ATOM 0 H LEU A 39 -5.733 -6.470 9.993 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.334 -4.004 8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.459 -4.328 10.871 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.520 -2.912 9.840 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.854 -3.918 11.493 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.304 -1.979 12.997 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.960 -3.143 12.921 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.877 -1.627 11.993 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.821 -1.673 11.099 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.441 -1.269 10.051 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.569 -2.561 9.578 1.00 0.00 H new ATOM 619 N THR A 40 -4.381 -4.465 7.002 1.00 0.00 N ATOM 620 CA THR A 40 -3.239 -4.555 6.083 1.00 0.00 C ATOM 621 C THR A 40 -2.298 -3.401 6.395 1.00 0.00 C ATOM 622 O THR A 40 -2.755 -2.266 6.520 1.00 0.00 O ATOM 623 CB THR A 40 -3.730 -4.494 4.634 1.00 0.00 C ATOM 624 OG1 THR A 40 -4.452 -5.676 4.412 1.00 0.00 O ATOM 625 CG2 THR A 40 -2.609 -4.463 3.596 1.00 0.00 C ATOM 0 H THR A 40 -5.145 -3.907 6.619 1.00 0.00 H new ATOM 0 HA THR A 40 -2.711 -5.500 6.210 1.00 0.00 H new ATOM 0 HB THR A 40 -4.305 -3.575 4.518 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.311 -5.628 4.882 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.040 -4.420 2.596 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.985 -3.584 3.760 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.001 -5.362 3.690 1.00 0.00 H new ATOM 633 N THR A 41 -0.998 -3.671 6.523 1.00 0.00 N ATOM 634 CA THR A 41 0.038 -2.681 6.854 1.00 0.00 C ATOM 635 C THR A 41 1.044 -2.551 5.725 1.00 0.00 C ATOM 636 O THR A 41 1.620 -3.540 5.281 1.00 0.00 O ATOM 637 CB THR A 41 0.735 -3.001 8.181 1.00 0.00 C ATOM 638 OG1 THR A 41 0.847 -4.394 8.393 1.00 0.00 O ATOM 639 CG2 THR A 41 -0.086 -2.414 9.323 1.00 0.00 C ATOM 0 H THR A 41 -0.622 -4.611 6.396 1.00 0.00 H new ATOM 0 HA THR A 41 -0.461 -1.720 6.978 1.00 0.00 H new ATOM 0 HB THR A 41 1.736 -2.572 8.144 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.298 -4.560 9.247 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.401 -2.636 10.273 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.163 -1.334 9.198 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.084 -2.852 9.316 1.00 0.00 H new ATOM 647 N VAL A 42 1.256 -1.317 5.271 1.00 0.00 N ATOM 648 CA VAL A 42 2.244 -0.966 4.238 1.00 0.00 C ATOM 649 C VAL A 42 3.466 -0.348 4.911 1.00 0.00 C ATOM 650 O VAL A 42 3.346 0.650 5.621 1.00 0.00 O ATOM 651 CB VAL A 42 1.674 0.015 3.192 1.00 0.00 C ATOM 652 CG1 VAL A 42 2.677 0.265 2.049 1.00 0.00 C ATOM 653 CG2 VAL A 42 0.356 -0.501 2.600 1.00 0.00 C ATOM 0 H VAL A 42 0.736 -0.510 5.616 1.00 0.00 H new ATOM 0 HA VAL A 42 2.517 -1.879 3.709 1.00 0.00 H new ATOM 0 HB VAL A 42 1.487 0.954 3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.244 0.960 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.595 0.689 2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.903 -0.678 1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.018 0.214 1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.527 -1.462 2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.378 -0.622 3.397 1.00 0.00 H new ATOM 663 N GLN A 43 4.632 -0.941 4.663 1.00 0.00 N ATOM 664 CA GLN A 43 5.926 -0.582 5.242 1.00 0.00 C ATOM 665 C GLN A 43 6.966 -0.432 4.116 1.00 0.00 C ATOM 666 O GLN A 43 6.872 -1.097 3.086 1.00 0.00 O ATOM 667 CB GLN A 43 6.292 -1.708 6.227 1.00 0.00 C ATOM 668 CG GLN A 43 7.642 -1.559 6.944 1.00 0.00 C ATOM 669 CD GLN A 43 7.941 -2.784 7.806 1.00 0.00 C ATOM 670 OE1 GLN A 43 8.096 -3.897 7.316 1.00 0.00 O ATOM 671 NE2 GLN A 43 8.003 -2.658 9.114 1.00 0.00 N ATOM 0 H GLN A 43 4.704 -1.728 4.018 1.00 0.00 H new ATOM 0 HA GLN A 43 5.896 0.371 5.770 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.507 -1.774 6.981 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.293 -2.653 5.684 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.436 -1.424 6.209 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.630 -0.665 7.568 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.877 -1.742 9.545 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.177 -3.476 9.698 1.00 0.00 H new ATOM 680 N GLY A 44 7.969 0.438 4.286 1.00 0.00 N ATOM 681 CA GLY A 44 9.130 0.515 3.380 1.00 0.00 C ATOM 682 C GLY A 44 8.902 1.278 2.067 1.00 0.00 C ATOM 683 O GLY A 44 9.803 1.323 1.232 1.00 0.00 O ATOM 0 H GLY A 44 8.002 1.109 5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.954 0.988 3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.447 -0.500 3.139 1.00 0.00 H new ATOM 687 N VAL A 45 7.730 1.892 1.880 1.00 0.00 N ATOM 688 CA VAL A 45 7.414 2.755 0.722 1.00 0.00 C ATOM 689 C VAL A 45 8.455 3.887 0.564 1.00 0.00 C ATOM 690 O VAL A 45 8.771 4.546 1.561 1.00 0.00 O ATOM 691 CB VAL A 45 5.961 3.290 0.765 1.00 0.00 C ATOM 692 CG1 VAL A 45 5.650 4.144 2.002 1.00 0.00 C ATOM 693 CG2 VAL A 45 5.604 4.095 -0.496 1.00 0.00 C ATOM 0 H VAL A 45 6.955 1.806 2.538 1.00 0.00 H new ATOM 0 HA VAL A 45 7.478 2.133 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 45 5.345 2.392 0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.614 4.482 1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.801 3.549 2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.313 5.009 2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.576 4.450 -0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.277 4.948 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.705 3.458 -1.375 1.00 0.00 H new ATOM 703 N PRO A 46 9.000 4.120 -0.651 1.00 0.00 N ATOM 704 CA PRO A 46 9.950 5.195 -0.938 1.00 0.00 C ATOM 705 C PRO A 46 9.458 6.579 -0.508 1.00 0.00 C ATOM 706 O PRO A 46 8.278 6.904 -0.638 1.00 0.00 O ATOM 707 CB PRO A 46 10.190 5.140 -2.448 1.00 0.00 C ATOM 708 CG PRO A 46 9.988 3.667 -2.778 1.00 0.00 C ATOM 709 CD PRO A 46 8.858 3.276 -1.830 1.00 0.00 C ATOM 0 HA PRO A 46 10.865 5.045 -0.365 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.489 5.774 -2.991 1.00 0.00 H new ATOM 0 HB3 PRO A 46 11.193 5.477 -2.709 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.713 3.518 -3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.890 3.082 -2.599 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.886 3.427 -2.301 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.923 2.221 -1.563 1.00 0.00 H new ATOM 717 N GLU A 47 10.386 7.409 -0.020 1.00 0.00 N ATOM 718 CA GLU A 47 10.096 8.714 0.592 1.00 0.00 C ATOM 719 C GLU A 47 9.548 9.755 -0.413 1.00 0.00 C ATOM 720 O GLU A 47 8.922 10.739 -0.015 1.00 0.00 O ATOM 721 CB GLU A 47 11.397 9.210 1.254 1.00 0.00 C ATOM 722 CG GLU A 47 11.256 10.398 2.217 1.00 0.00 C ATOM 723 CD GLU A 47 10.428 10.053 3.467 1.00 0.00 C ATOM 724 OE1 GLU A 47 10.883 9.219 4.285 1.00 0.00 O ATOM 725 OE2 GLU A 47 9.335 10.637 3.659 1.00 0.00 O ATOM 0 H GLU A 47 11.382 7.189 -0.039 1.00 0.00 H new ATOM 0 HA GLU A 47 9.302 8.590 1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.843 8.378 1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.098 9.488 0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.247 10.732 2.523 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.787 11.231 1.694 1.00 0.00 H new ATOM 732 N GLU A 48 9.753 9.536 -1.717 1.00 0.00 N ATOM 733 CA GLU A 48 9.235 10.398 -2.789 1.00 0.00 C ATOM 734 C GLU A 48 7.703 10.309 -2.970 1.00 0.00 C ATOM 735 O GLU A 48 7.108 11.193 -3.591 1.00 0.00 O ATOM 736 CB GLU A 48 9.970 10.097 -4.107 1.00 0.00 C ATOM 737 CG GLU A 48 9.686 8.709 -4.699 1.00 0.00 C ATOM 738 CD GLU A 48 10.533 8.481 -5.961 1.00 0.00 C ATOM 739 OE1 GLU A 48 10.145 8.961 -7.053 1.00 0.00 O ATOM 740 OE2 GLU A 48 11.604 7.835 -5.865 1.00 0.00 O ATOM 0 H GLU A 48 10.292 8.743 -2.064 1.00 0.00 H new ATOM 0 HA GLU A 48 9.433 11.427 -2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.694 10.853 -4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.043 10.192 -3.939 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.908 7.939 -3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.627 8.620 -4.943 1.00 0.00 H new ATOM 747 N TYR A 49 7.055 9.268 -2.431 1.00 0.00 N ATOM 748 CA TYR A 49 5.605 9.070 -2.484 1.00 0.00 C ATOM 749 C TYR A 49 4.911 9.580 -1.207 1.00 0.00 C ATOM 750 O TYR A 49 5.236 9.163 -0.092 1.00 0.00 O ATOM 751 CB TYR A 49 5.311 7.583 -2.727 1.00 0.00 C ATOM 752 CG TYR A 49 5.910 7.038 -4.011 1.00 0.00 C ATOM 753 CD1 TYR A 49 5.451 7.512 -5.257 1.00 0.00 C ATOM 754 CD2 TYR A 49 6.933 6.070 -3.967 1.00 0.00 C ATOM 755 CE1 TYR A 49 6.003 7.018 -6.454 1.00 0.00 C ATOM 756 CE2 TYR A 49 7.480 5.565 -5.162 1.00 0.00 C ATOM 757 CZ TYR A 49 7.014 6.032 -6.410 1.00 0.00 C ATOM 758 OH TYR A 49 7.533 5.522 -7.562 1.00 0.00 O ATOM 0 H TYR A 49 7.540 8.522 -1.933 1.00 0.00 H new ATOM 0 HA TYR A 49 5.199 9.656 -3.309 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.693 7.005 -1.886 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.231 7.436 -2.750 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.671 8.258 -5.293 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.298 5.715 -3.015 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.654 7.392 -7.405 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.259 4.818 -5.124 1.00 0.00 H new ATOM 0 HH TYR A 49 6.815 5.398 -8.218 1.00 0.00 H new ATOM 768 N ASP A 50 3.937 10.482 -1.365 1.00 0.00 N ATOM 769 CA ASP A 50 3.195 11.096 -0.258 1.00 0.00 C ATOM 770 C ASP A 50 2.138 10.142 0.321 1.00 0.00 C ATOM 771 O ASP A 50 1.229 9.694 -0.380 1.00 0.00 O ATOM 772 CB ASP A 50 2.567 12.409 -0.741 1.00 0.00 C ATOM 773 CG ASP A 50 1.776 13.092 0.383 1.00 0.00 C ATOM 774 OD1 ASP A 50 2.407 13.699 1.278 1.00 0.00 O ATOM 775 OD2 ASP A 50 0.530 12.986 0.370 1.00 0.00 O ATOM 0 H ASP A 50 3.636 10.812 -2.282 1.00 0.00 H new ATOM 0 HA ASP A 50 3.889 11.311 0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.349 13.079 -1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.907 12.211 -1.585 1.00 0.00 H new ATOM 780 N LEU A 51 2.242 9.846 1.619 1.00 0.00 N ATOM 781 CA LEU A 51 1.395 8.858 2.295 1.00 0.00 C ATOM 782 C LEU A 51 -0.080 9.280 2.332 1.00 0.00 C ATOM 783 O LEU A 51 -0.964 8.459 2.106 1.00 0.00 O ATOM 784 CB LEU A 51 1.928 8.630 3.722 1.00 0.00 C ATOM 785 CG LEU A 51 3.410 8.225 3.862 1.00 0.00 C ATOM 786 CD1 LEU A 51 3.701 7.953 5.345 1.00 0.00 C ATOM 787 CD2 LEU A 51 3.794 6.992 3.034 1.00 0.00 C ATOM 0 H LEU A 51 2.922 10.289 2.236 1.00 0.00 H new ATOM 0 HA LEU A 51 1.439 7.929 1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.772 9.546 4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.320 7.856 4.191 1.00 0.00 H new ATOM 0 HG LEU A 51 4.009 9.051 3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.745 7.665 5.464 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.505 8.854 5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.059 7.146 5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.850 6.768 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.194 6.139 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.611 7.191 1.978 1.00 0.00 H new ATOM 799 N LYS A 52 -0.367 10.565 2.551 1.00 0.00 N ATOM 800 CA LYS A 52 -1.731 11.115 2.527 1.00 0.00 C ATOM 801 C LYS A 52 -2.389 10.979 1.139 1.00 0.00 C ATOM 802 O LYS A 52 -3.579 10.671 1.064 1.00 0.00 O ATOM 803 CB LYS A 52 -1.721 12.570 3.033 1.00 0.00 C ATOM 804 CG LYS A 52 -1.297 12.672 4.510 1.00 0.00 C ATOM 805 CD LYS A 52 -1.194 14.119 5.012 1.00 0.00 C ATOM 806 CE LYS A 52 -2.549 14.841 5.012 1.00 0.00 C ATOM 807 NZ LYS A 52 -2.437 16.219 5.561 1.00 0.00 N ATOM 0 H LYS A 52 0.348 11.264 2.753 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.350 10.526 3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.040 13.161 2.420 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.715 13.001 2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.016 12.131 5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.333 12.180 4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.785 14.121 6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.493 14.669 4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.938 14.885 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.265 14.271 5.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.371 16.676 5.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.089 16.175 6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.772 16.770 4.982 1.00 0.00 H new ATOM 821 N ARG A 53 -1.629 11.094 0.043 1.00 0.00 N ATOM 822 CA ARG A 53 -2.107 10.795 -1.319 1.00 0.00 C ATOM 823 C ARG A 53 -2.455 9.306 -1.492 1.00 0.00 C ATOM 824 O ARG A 53 -3.472 8.990 -2.118 1.00 0.00 O ATOM 825 CB ARG A 53 -1.056 11.263 -2.345 1.00 0.00 C ATOM 826 CG ARG A 53 -1.535 11.267 -3.806 1.00 0.00 C ATOM 827 CD ARG A 53 -2.683 12.257 -4.059 1.00 0.00 C ATOM 828 NE ARG A 53 -2.932 12.443 -5.500 1.00 0.00 N ATOM 829 CZ ARG A 53 -3.653 11.666 -6.302 1.00 0.00 C ATOM 830 NH1 ARG A 53 -4.240 10.566 -5.874 1.00 0.00 N ATOM 831 NH2 ARG A 53 -3.794 11.992 -7.569 1.00 0.00 N ATOM 0 H ARG A 53 -0.656 11.400 0.073 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.033 11.343 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.735 12.270 -2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.181 10.618 -2.267 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.697 11.517 -4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.862 10.263 -4.078 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.590 11.894 -3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.443 13.218 -3.604 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.502 13.261 -5.931 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.149 10.286 -4.897 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.786 9.995 -6.519 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.351 12.837 -7.931 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.346 11.400 -8.190 1.00 0.00 H new ATOM 845 N ILE A 54 -1.679 8.398 -0.880 1.00 0.00 N ATOM 846 CA ILE A 54 -1.967 6.948 -0.835 1.00 0.00 C ATOM 847 C ILE A 54 -3.270 6.690 -0.059 1.00 0.00 C ATOM 848 O ILE A 54 -4.105 5.922 -0.533 1.00 0.00 O ATOM 849 CB ILE A 54 -0.763 6.133 -0.292 1.00 0.00 C ATOM 850 CG1 ILE A 54 0.495 6.359 -1.166 1.00 0.00 C ATOM 851 CG2 ILE A 54 -1.117 4.633 -0.250 1.00 0.00 C ATOM 852 CD1 ILE A 54 1.783 5.722 -0.627 1.00 0.00 C ATOM 0 H ILE A 54 -0.819 8.650 -0.393 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.120 6.592 -1.854 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.543 6.477 0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.302 5.964 -2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.656 7.432 -1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.266 4.069 0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.977 4.480 0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.359 4.288 -1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.607 5.936 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.009 6.134 0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.649 4.643 -0.546 1.00 0.00 H new ATOM 864 N LEU A 55 -3.515 7.389 1.059 1.00 0.00 N ATOM 865 CA LEU A 55 -4.810 7.331 1.744 1.00 0.00 C ATOM 866 C LEU A 55 -5.943 7.779 0.812 1.00 0.00 C ATOM 867 O LEU A 55 -6.906 7.045 0.623 1.00 0.00 O ATOM 868 CB LEU A 55 -4.822 8.176 3.034 1.00 0.00 C ATOM 869 CG LEU A 55 -3.758 7.908 4.115 1.00 0.00 C ATOM 870 CD1 LEU A 55 -4.270 8.477 5.448 1.00 0.00 C ATOM 871 CD2 LEU A 55 -3.398 6.428 4.275 1.00 0.00 C ATOM 0 H LEU A 55 -2.832 8.000 1.506 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.972 6.291 2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.737 9.223 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.800 8.053 3.498 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.838 8.400 3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.530 8.298 6.228 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.437 9.549 5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.207 7.988 5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.643 6.319 5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.289 5.865 4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.005 6.045 3.333 1.00 0.00 H new ATOM 883 N LYS A 56 -5.823 8.961 0.194 1.00 0.00 N ATOM 884 CA LYS A 56 -6.848 9.517 -0.702 1.00 0.00 C ATOM 885 C LYS A 56 -7.219 8.558 -1.843 1.00 0.00 C ATOM 886 O LYS A 56 -8.399 8.291 -2.054 1.00 0.00 O ATOM 887 CB LYS A 56 -6.375 10.878 -1.261 1.00 0.00 C ATOM 888 CG LYS A 56 -6.966 12.087 -0.516 1.00 0.00 C ATOM 889 CD LYS A 56 -6.434 12.269 0.914 1.00 0.00 C ATOM 890 CE LYS A 56 -7.180 13.374 1.682 1.00 0.00 C ATOM 891 NZ LYS A 56 -6.956 14.731 1.108 1.00 0.00 N ATOM 0 H LYS A 56 -5.007 9.563 0.302 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.754 9.662 -0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.287 10.925 -1.208 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.646 10.943 -2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.754 12.991 -1.088 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.050 11.981 -0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.527 11.328 1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.372 12.511 0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.248 13.155 1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.857 13.367 2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.482 15.435 1.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.941 14.956 1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.289 14.750 0.123 1.00 0.00 H new ATOM 905 N VAL A 57 -6.230 8.028 -2.567 1.00 0.00 N ATOM 906 CA VAL A 57 -6.478 7.187 -3.757 1.00 0.00 C ATOM 907 C VAL A 57 -7.072 5.809 -3.409 1.00 0.00 C ATOM 908 O VAL A 57 -7.951 5.329 -4.126 1.00 0.00 O ATOM 909 CB VAL A 57 -5.213 7.073 -4.630 1.00 0.00 C ATOM 910 CG1 VAL A 57 -4.115 6.261 -3.960 1.00 0.00 C ATOM 911 CG2 VAL A 57 -5.517 6.538 -6.035 1.00 0.00 C ATOM 0 H VAL A 57 -5.242 8.163 -2.354 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.243 7.694 -4.346 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.839 8.090 -4.744 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.247 6.212 -4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.833 6.736 -3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.478 5.252 -3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.592 6.477 -6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.963 5.546 -5.958 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.212 7.210 -6.538 1.00 0.00 H new ATOM 921 N LEU A 58 -6.663 5.197 -2.288 1.00 0.00 N ATOM 922 CA LEU A 58 -7.229 3.923 -1.818 1.00 0.00 C ATOM 923 C LEU A 58 -8.642 4.097 -1.231 1.00 0.00 C ATOM 924 O LEU A 58 -9.510 3.248 -1.435 1.00 0.00 O ATOM 925 CB LEU A 58 -6.257 3.274 -0.810 1.00 0.00 C ATOM 926 CG LEU A 58 -4.874 2.894 -1.390 1.00 0.00 C ATOM 927 CD1 LEU A 58 -3.972 2.372 -0.266 1.00 0.00 C ATOM 928 CD2 LEU A 58 -4.963 1.837 -2.499 1.00 0.00 C ATOM 0 H LEU A 58 -5.932 5.570 -1.682 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.345 3.256 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.109 3.961 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.724 2.376 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.455 3.797 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.998 2.105 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.847 3.147 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.429 1.492 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.962 1.611 -2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.417 0.929 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.573 2.219 -3.318 1.00 0.00 H new ATOM 940 N LYS A 59 -8.926 5.216 -0.563 1.00 0.00 N ATOM 941 CA LYS A 59 -10.287 5.560 -0.121 1.00 0.00 C ATOM 942 C LYS A 59 -11.225 5.884 -1.302 1.00 0.00 C ATOM 943 O LYS A 59 -12.413 5.561 -1.252 1.00 0.00 O ATOM 944 CB LYS A 59 -10.210 6.728 0.876 1.00 0.00 C ATOM 945 CG LYS A 59 -9.559 6.292 2.199 1.00 0.00 C ATOM 946 CD LYS A 59 -9.389 7.483 3.152 1.00 0.00 C ATOM 947 CE LYS A 59 -8.593 7.043 4.386 1.00 0.00 C ATOM 948 NZ LYS A 59 -8.505 8.110 5.418 1.00 0.00 N ATOM 0 H LYS A 59 -8.223 5.911 -0.311 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.721 4.690 0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.637 7.545 0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.212 7.110 1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.173 5.527 2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.587 5.842 1.998 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.872 8.297 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.365 7.864 3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.061 6.160 4.820 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.587 6.753 4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.016 7.741 6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.974 8.919 5.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.463 8.418 5.682 1.00 0.00 H new ATOM 962 N LYS A 60 -10.698 6.476 -2.379 1.00 0.00 N ATOM 963 CA LYS A 60 -11.438 6.826 -3.597 1.00 0.00 C ATOM 964 C LYS A 60 -11.760 5.605 -4.483 1.00 0.00 C ATOM 965 O LYS A 60 -12.927 5.257 -4.654 1.00 0.00 O ATOM 966 CB LYS A 60 -10.626 7.899 -4.354 1.00 0.00 C ATOM 967 CG LYS A 60 -11.250 8.316 -5.696 1.00 0.00 C ATOM 968 CD LYS A 60 -10.386 9.379 -6.391 1.00 0.00 C ATOM 969 CE LYS A 60 -10.866 9.661 -7.824 1.00 0.00 C ATOM 970 NZ LYS A 60 -10.458 8.594 -8.777 1.00 0.00 N ATOM 0 H LYS A 60 -9.712 6.733 -2.429 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.414 7.224 -3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.527 8.780 -3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.620 7.520 -4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.351 7.444 -6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.253 8.708 -5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.410 10.302 -5.812 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.349 9.045 -6.415 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.952 9.754 -7.829 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.463 10.617 -8.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.889 8.775 -9.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.422 8.590 -8.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.777 7.670 -8.421 1.00 0.00 H new ATOM 984 N ASP A 61 -10.737 4.964 -5.056 1.00 0.00 N ATOM 985 CA ASP A 61 -10.899 3.960 -6.121 1.00 0.00 C ATOM 986 C ASP A 61 -11.032 2.511 -5.621 1.00 0.00 C ATOM 987 O ASP A 61 -11.727 1.715 -6.256 1.00 0.00 O ATOM 988 CB ASP A 61 -9.730 4.095 -7.109 1.00 0.00 C ATOM 989 CG ASP A 61 -9.751 5.452 -7.831 1.00 0.00 C ATOM 990 OD1 ASP A 61 -10.754 5.761 -8.518 1.00 0.00 O ATOM 991 OD2 ASP A 61 -8.779 6.229 -7.700 1.00 0.00 O ATOM 0 H ASP A 61 -9.764 5.126 -4.794 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.850 4.169 -6.612 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.787 3.981 -6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.779 3.291 -7.843 1.00 0.00 H new ATOM 996 N PHE A 62 -10.423 2.172 -4.478 1.00 0.00 N ATOM 997 CA PHE A 62 -10.576 0.865 -3.825 1.00 0.00 C ATOM 998 C PHE A 62 -11.679 0.868 -2.745 1.00 0.00 C ATOM 999 O PHE A 62 -11.967 -0.185 -2.174 1.00 0.00 O ATOM 1000 CB PHE A 62 -9.224 0.423 -3.241 1.00 0.00 C ATOM 1001 CG PHE A 62 -8.153 0.093 -4.260 1.00 0.00 C ATOM 1002 CD1 PHE A 62 -7.425 1.118 -4.895 1.00 0.00 C ATOM 1003 CD2 PHE A 62 -7.846 -1.252 -4.537 1.00 0.00 C ATOM 1004 CE1 PHE A 62 -6.383 0.799 -5.781 1.00 0.00 C ATOM 1005 CE2 PHE A 62 -6.806 -1.569 -5.427 1.00 0.00 C ATOM 1006 CZ PHE A 62 -6.071 -0.547 -6.046 1.00 0.00 C ATOM 0 H PHE A 62 -9.802 2.805 -3.974 1.00 0.00 H new ATOM 0 HA PHE A 62 -10.896 0.147 -4.580 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -8.852 1.215 -2.591 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.387 -0.453 -2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -7.669 2.152 -4.700 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -8.411 -2.042 -4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.821 1.587 -6.259 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -6.572 -2.603 -5.635 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.267 -0.793 -6.724 1.00 0.00 H new ATOM 1016 N ALA A 63 -12.281 2.031 -2.455 1.00 0.00 N ATOM 1017 CA ALA A 63 -13.356 2.231 -1.471 1.00 0.00 C ATOM 1018 C ALA A 63 -12.960 1.799 -0.036 1.00 0.00 C ATOM 1019 O ALA A 63 -13.809 1.374 0.753 1.00 0.00 O ATOM 1020 CB ALA A 63 -14.645 1.571 -1.992 1.00 0.00 C ATOM 0 H ALA A 63 -12.019 2.899 -2.922 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.544 3.300 -1.368 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.446 1.715 -1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.928 2.025 -2.941 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.475 0.504 -2.137 1.00 0.00 H new ATOM 1026 N CYS A 64 -11.663 1.863 0.291 1.00 0.00 N ATOM 1027 CA CYS A 64 -11.100 1.375 1.554 1.00 0.00 C ATOM 1028 C CYS A 64 -11.237 2.394 2.701 1.00 0.00 C ATOM 1029 O CYS A 64 -11.698 3.520 2.507 1.00 0.00 O ATOM 1030 CB CYS A 64 -9.634 0.977 1.290 1.00 0.00 C ATOM 1031 SG CYS A 64 -9.591 -0.580 0.355 1.00 0.00 S ATOM 0 H CYS A 64 -10.961 2.265 -0.330 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.664 0.506 1.894 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -9.127 1.764 0.731 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.101 0.862 2.234 1.00 0.00 H new ATOM 0 HG CYS A 64 -10.453 -0.527 -0.616 1.00 0.00 H new ATOM 1037 N ASN A 65 -10.785 1.995 3.893 1.00 0.00 N ATOM 1038 CA ASN A 65 -10.610 2.857 5.071 1.00 0.00 C ATOM 1039 C ASN A 65 -9.165 2.696 5.564 1.00 0.00 C ATOM 1040 O ASN A 65 -8.643 1.578 5.533 1.00 0.00 O ATOM 1041 CB ASN A 65 -11.579 2.430 6.187 1.00 0.00 C ATOM 1042 CG ASN A 65 -13.057 2.650 5.873 1.00 0.00 C ATOM 1043 OD1 ASN A 65 -13.456 3.619 5.238 1.00 0.00 O ATOM 1044 ND2 ASN A 65 -13.916 1.761 6.342 1.00 0.00 N ATOM 0 H ASN A 65 -10.520 1.027 4.074 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.816 3.895 4.808 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.421 1.373 6.401 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -11.330 2.979 7.095 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.915 1.880 6.176 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.579 0.956 6.870 1.00 0.00 H new ATOM 1051 N GLY A 66 -8.513 3.773 6.020 1.00 0.00 N ATOM 1052 CA GLY A 66 -7.091 3.735 6.387 1.00 0.00 C ATOM 1053 C GLY A 66 -6.529 4.993 7.038 1.00 0.00 C ATOM 1054 O GLY A 66 -7.153 6.054 7.014 1.00 0.00 O ATOM 0 H GLY A 66 -8.950 4.686 6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.935 2.898 7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.511 3.526 5.488 1.00 0.00 H new ATOM 1058 N ASN A 67 -5.331 4.853 7.606 1.00 0.00 N ATOM 1059 CA ASN A 67 -4.625 5.865 8.409 1.00 0.00 C ATOM 1060 C ASN A 67 -3.096 5.668 8.364 1.00 0.00 C ATOM 1061 O ASN A 67 -2.608 4.567 8.111 1.00 0.00 O ATOM 1062 CB ASN A 67 -5.099 5.794 9.875 1.00 0.00 C ATOM 1063 CG ASN A 67 -6.533 6.279 10.074 1.00 0.00 C ATOM 1064 OD1 ASN A 67 -6.822 7.467 9.996 1.00 0.00 O ATOM 1065 ND2 ASN A 67 -7.467 5.381 10.342 1.00 0.00 N ATOM 0 H ASN A 67 -4.796 3.989 7.517 1.00 0.00 H new ATOM 0 HA ASN A 67 -4.857 6.841 7.983 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.020 4.765 10.225 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.432 6.393 10.494 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.433 5.677 10.485 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.221 4.393 10.406 1.00 0.00 H new ATOM 1072 N ILE A 68 -2.328 6.722 8.656 1.00 0.00 N ATOM 1073 CA ILE A 68 -0.866 6.666 8.869 1.00 0.00 C ATOM 1074 C ILE A 68 -0.585 6.504 10.373 1.00 0.00 C ATOM 1075 O ILE A 68 -1.204 7.193 11.186 1.00 0.00 O ATOM 1076 CB ILE A 68 -0.191 7.943 8.309 1.00 0.00 C ATOM 1077 CG1 ILE A 68 -0.412 8.072 6.784 1.00 0.00 C ATOM 1078 CG2 ILE A 68 1.324 7.959 8.601 1.00 0.00 C ATOM 1079 CD1 ILE A 68 -0.319 9.521 6.292 1.00 0.00 C ATOM 0 H ILE A 68 -2.708 7.663 8.755 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.448 5.812 8.336 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.658 8.789 8.813 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.329 7.467 6.261 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.391 7.668 6.528 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.763 8.869 8.193 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.487 7.928 9.678 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.793 7.091 8.138 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.482 9.551 5.215 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.078 10.124 6.791 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.669 9.920 6.520 1.00 0.00 H new ATOM 1091 N VAL A 69 0.348 5.623 10.740 1.00 0.00 N ATOM 1092 CA VAL A 69 0.785 5.382 12.131 1.00 0.00 C ATOM 1093 C VAL A 69 2.307 5.253 12.171 1.00 0.00 C ATOM 1094 O VAL A 69 2.898 4.664 11.272 1.00 0.00 O ATOM 1095 CB VAL A 69 0.129 4.100 12.712 1.00 0.00 C ATOM 1096 CG1 VAL A 69 0.655 3.718 14.109 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -1.399 4.256 12.806 1.00 0.00 C ATOM 0 H VAL A 69 0.839 5.037 10.064 1.00 0.00 H new ATOM 0 HA VAL A 69 0.470 6.227 12.743 1.00 0.00 H new ATOM 0 HB VAL A 69 0.397 3.305 12.017 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.153 2.814 14.452 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.729 3.539 14.057 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.456 4.531 14.808 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.833 3.344 13.216 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.640 5.097 13.457 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.808 4.438 11.812 1.00 0.00 H new ATOM 1107 N LYS A 70 2.946 5.781 13.218 1.00 0.00 N ATOM 1108 CA LYS A 70 4.367 5.556 13.513 1.00 0.00 C ATOM 1109 C LYS A 70 4.507 4.606 14.718 1.00 0.00 C ATOM 1110 O LYS A 70 4.310 4.998 15.870 1.00 0.00 O ATOM 1111 CB LYS A 70 5.062 6.915 13.705 1.00 0.00 C ATOM 1112 CG LYS A 70 6.589 6.767 13.774 1.00 0.00 C ATOM 1113 CD LYS A 70 7.267 8.141 13.856 1.00 0.00 C ATOM 1114 CE LYS A 70 8.791 7.980 13.910 1.00 0.00 C ATOM 1115 NZ LYS A 70 9.480 9.295 13.972 1.00 0.00 N ATOM 0 H LYS A 70 2.485 6.387 13.897 1.00 0.00 H new ATOM 0 HA LYS A 70 4.868 5.061 12.681 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.797 7.579 12.882 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.700 7.383 14.620 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.862 6.169 14.644 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.947 6.232 12.895 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.989 8.744 12.991 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.919 8.674 14.741 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.064 7.385 14.782 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.131 7.432 13.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.509 9.147 14.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.240 9.853 13.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.175 9.807 14.824 1.00 0.00 H new ATOM 1129 N ASP A 71 4.800 3.336 14.442 1.00 0.00 N ATOM 1130 CA ASP A 71 4.829 2.245 15.420 1.00 0.00 C ATOM 1131 C ASP A 71 6.229 2.091 16.067 1.00 0.00 C ATOM 1132 O ASP A 71 7.228 2.266 15.360 1.00 0.00 O ATOM 1133 CB ASP A 71 4.439 0.954 14.690 1.00 0.00 C ATOM 1134 CG ASP A 71 4.159 -0.195 15.665 1.00 0.00 C ATOM 1135 OD1 ASP A 71 3.001 -0.327 16.122 1.00 0.00 O ATOM 1136 OD2 ASP A 71 5.119 -0.934 15.980 1.00 0.00 O ATOM 0 H ASP A 71 5.032 3.026 13.499 1.00 0.00 H new ATOM 0 HA ASP A 71 4.130 2.464 16.227 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.554 1.136 14.080 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.241 0.665 14.010 1.00 0.00 H new ATOM 1141 N PRO A 72 6.336 1.724 17.363 1.00 0.00 N ATOM 1142 CA PRO A 72 7.616 1.463 18.026 1.00 0.00 C ATOM 1143 C PRO A 72 8.463 0.356 17.377 1.00 0.00 C ATOM 1144 O PRO A 72 9.689 0.420 17.444 1.00 0.00 O ATOM 1145 CB PRO A 72 7.265 1.071 19.466 1.00 0.00 C ATOM 1146 CG PRO A 72 5.913 1.730 19.702 1.00 0.00 C ATOM 1147 CD PRO A 72 5.249 1.655 18.332 1.00 0.00 C ATOM 0 HA PRO A 72 8.235 2.357 17.954 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.209 -0.011 19.584 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.014 1.430 20.172 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.334 1.202 20.460 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.020 2.760 20.042 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.684 0.730 18.221 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.547 2.477 18.192 1.00 0.00 H new ATOM 1155 N GLU A 73 7.826 -0.653 16.767 1.00 0.00 N ATOM 1156 CA GLU A 73 8.489 -1.821 16.166 1.00 0.00 C ATOM 1157 C GLU A 73 8.383 -1.830 14.632 1.00 0.00 C ATOM 1158 O GLU A 73 9.382 -2.041 13.940 1.00 0.00 O ATOM 1159 CB GLU A 73 7.875 -3.116 16.724 1.00 0.00 C ATOM 1160 CG GLU A 73 8.023 -3.214 18.245 1.00 0.00 C ATOM 1161 CD GLU A 73 7.680 -4.623 18.751 1.00 0.00 C ATOM 1162 OE1 GLU A 73 8.590 -5.484 18.821 1.00 0.00 O ATOM 1163 OE2 GLU A 73 6.501 -4.881 19.094 1.00 0.00 O ATOM 0 H GLU A 73 6.811 -0.681 16.675 1.00 0.00 H new ATOM 0 HA GLU A 73 9.546 -1.759 16.426 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.819 -3.159 16.459 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.356 -3.975 16.257 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.045 -2.962 18.530 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.369 -2.485 18.724 1.00 0.00 H new ATOM 1170 N MET A 74 7.180 -1.594 14.094 1.00 0.00 N ATOM 1171 CA MET A 74 6.911 -1.593 12.643 1.00 0.00 C ATOM 1172 C MET A 74 7.373 -0.309 11.927 1.00 0.00 C ATOM 1173 O MET A 74 7.516 -0.322 10.702 1.00 0.00 O ATOM 1174 CB MET A 74 5.417 -1.851 12.373 1.00 0.00 C ATOM 1175 CG MET A 74 4.974 -3.255 12.797 1.00 0.00 C ATOM 1176 SD MET A 74 3.254 -3.628 12.366 1.00 0.00 S ATOM 1177 CE MET A 74 3.168 -5.317 13.010 1.00 0.00 C ATOM 0 H MET A 74 6.353 -1.396 14.657 1.00 0.00 H new ATOM 0 HA MET A 74 7.506 -2.404 12.224 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.822 -1.110 12.907 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.215 -1.716 11.310 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.626 -3.991 12.327 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.101 -3.358 13.875 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.171 -5.723 12.836 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.906 -5.938 12.503 1.00 0.00 H new ATOM 0 HE3 MET A 74 3.375 -5.309 14.080 1.00 0.00 H new ATOM 1187 N GLY A 75 7.618 0.783 12.659 1.00 0.00 N ATOM 1188 CA GLY A 75 8.014 2.086 12.107 1.00 0.00 C ATOM 1189 C GLY A 75 6.837 2.853 11.506 1.00 0.00 C ATOM 1190 O GLY A 75 5.679 2.590 11.828 1.00 0.00 O ATOM 0 H GLY A 75 7.545 0.787 13.676 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.470 2.686 12.894 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.774 1.936 11.340 1.00 0.00 H new ATOM 1194 N GLU A 76 7.123 3.836 10.652 1.00 0.00 N ATOM 1195 CA GLU A 76 6.116 4.611 9.944 1.00 0.00 C ATOM 1196 C GLU A 76 5.442 3.768 8.844 1.00 0.00 C ATOM 1197 O GLU A 76 6.100 3.255 7.936 1.00 0.00 O ATOM 1198 CB GLU A 76 6.764 5.898 9.417 1.00 0.00 C ATOM 1199 CG GLU A 76 5.696 6.966 9.216 1.00 0.00 C ATOM 1200 CD GLU A 76 6.321 8.308 8.804 1.00 0.00 C ATOM 1201 OE1 GLU A 76 6.728 8.456 7.629 1.00 0.00 O ATOM 1202 OE2 GLU A 76 6.417 9.220 9.661 1.00 0.00 O ATOM 0 H GLU A 76 8.079 4.117 10.432 1.00 0.00 H new ATOM 0 HA GLU A 76 5.312 4.897 10.622 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.518 6.252 10.121 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.275 5.700 8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.992 6.640 8.451 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.128 7.094 10.138 1.00 0.00 H new ATOM 1209 N ILE A 77 4.120 3.609 8.951 1.00 0.00 N ATOM 1210 CA ILE A 77 3.291 2.684 8.165 1.00 0.00 C ATOM 1211 C ILE A 77 1.908 3.263 7.842 1.00 0.00 C ATOM 1212 O ILE A 77 1.361 4.078 8.593 1.00 0.00 O ATOM 1213 CB ILE A 77 3.090 1.333 8.916 1.00 0.00 C ATOM 1214 CG1 ILE A 77 2.527 1.522 10.350 1.00 0.00 C ATOM 1215 CG2 ILE A 77 4.379 0.496 8.922 1.00 0.00 C ATOM 1216 CD1 ILE A 77 2.154 0.226 11.076 1.00 0.00 C ATOM 0 H ILE A 77 3.570 4.147 9.620 1.00 0.00 H new ATOM 0 HA ILE A 77 3.831 2.522 7.232 1.00 0.00 H new ATOM 0 HB ILE A 77 2.335 0.779 8.359 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.267 2.055 10.947 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.643 2.158 10.296 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.203 -0.439 9.454 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.677 0.280 7.896 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.172 1.053 9.420 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.771 0.462 12.069 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.388 -0.302 10.508 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.037 -0.406 11.169 1.00 0.00 H new ATOM 1228 N ILE A 78 1.314 2.790 6.745 1.00 0.00 N ATOM 1229 CA ILE A 78 -0.110 2.988 6.431 1.00 0.00 C ATOM 1230 C ILE A 78 -0.853 1.707 6.822 1.00 0.00 C ATOM 1231 O ILE A 78 -0.422 0.610 6.458 1.00 0.00 O ATOM 1232 CB ILE A 78 -0.318 3.325 4.938 1.00 0.00 C ATOM 1233 CG1 ILE A 78 0.289 4.703 4.598 1.00 0.00 C ATOM 1234 CG2 ILE A 78 -1.814 3.280 4.558 1.00 0.00 C ATOM 1235 CD1 ILE A 78 0.575 4.838 3.099 1.00 0.00 C ATOM 0 H ILE A 78 1.812 2.250 6.037 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.502 3.836 6.992 1.00 0.00 H new ATOM 0 HB ILE A 78 0.200 2.567 4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.397 5.491 4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.213 4.843 5.159 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.928 3.522 3.501 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.207 2.281 4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.364 4.006 5.158 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.002 5.821 2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.281 4.066 2.792 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.354 4.724 2.540 1.00 0.00 H new ATOM 1247 N GLN A 79 -1.964 1.852 7.542 1.00 0.00 N ATOM 1248 CA GLN A 79 -2.939 0.799 7.823 1.00 0.00 C ATOM 1249 C GLN A 79 -4.119 0.951 6.855 1.00 0.00 C ATOM 1250 O GLN A 79 -4.583 2.069 6.628 1.00 0.00 O ATOM 1251 CB GLN A 79 -3.458 0.936 9.264 1.00 0.00 C ATOM 1252 CG GLN A 79 -2.400 0.596 10.325 1.00 0.00 C ATOM 1253 CD GLN A 79 -2.913 0.813 11.750 1.00 0.00 C ATOM 1254 OE1 GLN A 79 -3.585 1.788 12.067 1.00 0.00 O ATOM 1255 NE2 GLN A 79 -2.626 -0.082 12.669 1.00 0.00 N ATOM 0 H GLN A 79 -2.220 2.745 7.964 1.00 0.00 H new ATOM 0 HA GLN A 79 -2.467 -0.176 7.701 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.806 1.957 9.422 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.319 0.281 9.397 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -2.092 -0.443 10.207 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.515 1.212 10.162 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.068 -0.901 12.427 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.961 0.042 13.624 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.637 -0.164 6.337 1.00 0.00 N ATOM 1265 CA LEU A 80 -5.862 -0.249 5.542 1.00 0.00 C ATOM 1266 C LEU A 80 -6.755 -1.347 6.149 1.00 0.00 C ATOM 1267 O LEU A 80 -6.250 -2.398 6.540 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.473 -0.570 4.080 1.00 0.00 C ATOM 1269 CG LEU A 80 -6.353 0.061 2.987 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -6.228 1.593 2.966 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -5.904 -0.478 1.620 1.00 0.00 C ATOM 0 H LEU A 80 -4.193 -1.073 6.467 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.416 0.690 5.550 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.444 -0.246 3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.490 -1.652 3.951 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.390 -0.198 3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.865 1.999 2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.538 1.997 3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.192 1.871 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.520 -0.039 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.860 -0.216 1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.014 -1.562 1.603 1.00 0.00 H new ATOM 1283 N GLN A 81 -8.067 -1.133 6.251 1.00 0.00 N ATOM 1284 CA GLN A 81 -8.986 -2.133 6.813 1.00 0.00 C ATOM 1285 C GLN A 81 -9.188 -3.314 5.852 1.00 0.00 C ATOM 1286 O GLN A 81 -9.321 -3.120 4.642 1.00 0.00 O ATOM 1287 CB GLN A 81 -10.336 -1.496 7.182 1.00 0.00 C ATOM 1288 CG GLN A 81 -10.231 -0.542 8.385 1.00 0.00 C ATOM 1289 CD GLN A 81 -11.583 0.012 8.850 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -12.619 -0.126 8.208 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -11.630 0.683 9.982 1.00 0.00 N ATOM 0 H GLN A 81 -8.523 -0.271 5.951 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.530 -2.520 7.724 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.723 -0.949 6.322 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.055 -2.283 7.409 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.759 -1.068 9.215 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.578 0.290 8.122 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.782 0.812 10.534 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -12.514 1.074 10.307 1.00 0.00 H new ATOM 1300 N GLY A 82 -9.235 -4.537 6.395 1.00 0.00 N ATOM 1301 CA GLY A 82 -9.354 -5.796 5.648 1.00 0.00 C ATOM 1302 C GLY A 82 -8.005 -6.369 5.204 1.00 0.00 C ATOM 1303 O GLY A 82 -6.943 -5.883 5.593 1.00 0.00 O ATOM 0 H GLY A 82 -9.190 -4.682 7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.866 -6.531 6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.977 -5.631 4.769 1.00 0.00 H new ATOM 1307 N ASP A 83 -8.055 -7.424 4.389 1.00 0.00 N ATOM 1308 CA ASP A 83 -6.915 -8.111 3.771 1.00 0.00 C ATOM 1309 C ASP A 83 -6.709 -7.639 2.314 1.00 0.00 C ATOM 1310 O ASP A 83 -7.217 -8.229 1.360 1.00 0.00 O ATOM 1311 CB ASP A 83 -7.101 -9.639 3.896 1.00 0.00 C ATOM 1312 CG ASP A 83 -8.368 -10.212 3.224 1.00 0.00 C ATOM 1313 OD1 ASP A 83 -9.490 -9.732 3.520 1.00 0.00 O ATOM 1314 OD2 ASP A 83 -8.240 -11.185 2.444 1.00 0.00 O ATOM 0 H ASP A 83 -8.944 -7.848 4.126 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.998 -7.852 4.300 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.229 -10.130 3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.123 -9.899 4.954 1.00 0.00 H new ATOM 1319 N GLN A 84 -5.972 -6.538 2.149 1.00 0.00 N ATOM 1320 CA GLN A 84 -5.822 -5.789 0.893 1.00 0.00 C ATOM 1321 C GLN A 84 -4.425 -5.926 0.268 1.00 0.00 C ATOM 1322 O GLN A 84 -4.050 -5.147 -0.613 1.00 0.00 O ATOM 1323 CB GLN A 84 -6.216 -4.314 1.127 1.00 0.00 C ATOM 1324 CG GLN A 84 -7.466 -4.071 2.003 1.00 0.00 C ATOM 1325 CD GLN A 84 -8.770 -4.730 1.539 1.00 0.00 C ATOM 1326 OE1 GLN A 84 -8.885 -5.368 0.502 1.00 0.00 O ATOM 1327 NE2 GLN A 84 -9.827 -4.583 2.303 1.00 0.00 N ATOM 0 H GLN A 84 -5.441 -6.125 2.916 1.00 0.00 H new ATOM 0 HA GLN A 84 -6.499 -6.226 0.159 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.371 -3.803 1.587 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.382 -3.846 0.157 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.248 -4.421 3.012 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.632 -2.996 2.068 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.758 -4.055 3.173 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.718 -4.996 2.027 1.00 0.00 H new ATOM 1336 N ARG A 85 -3.650 -6.921 0.708 1.00 0.00 N ATOM 1337 CA ARG A 85 -2.229 -7.055 0.380 1.00 0.00 C ATOM 1338 C ARG A 85 -1.935 -7.144 -1.127 1.00 0.00 C ATOM 1339 O ARG A 85 -1.041 -6.458 -1.627 1.00 0.00 O ATOM 1340 CB ARG A 85 -1.609 -8.202 1.204 1.00 0.00 C ATOM 1341 CG ARG A 85 -2.241 -9.580 0.938 1.00 0.00 C ATOM 1342 CD ARG A 85 -1.622 -10.665 1.820 1.00 0.00 C ATOM 1343 NE ARG A 85 -2.278 -11.966 1.591 1.00 0.00 N ATOM 1344 CZ ARG A 85 -1.755 -13.163 1.826 1.00 0.00 C ATOM 1345 NH1 ARG A 85 -0.559 -13.305 2.356 1.00 0.00 N ATOM 1346 NH2 ARG A 85 -2.438 -14.246 1.525 1.00 0.00 N ATOM 0 H ARG A 85 -3.998 -7.667 1.311 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.736 -6.127 0.670 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.542 -8.256 0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.707 -7.968 2.264 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.314 -9.530 1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.109 -9.845 -0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.556 -10.748 1.607 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -1.717 -10.385 2.869 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.226 -11.944 1.215 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.007 -12.482 2.598 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.184 -14.238 2.525 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.367 -14.165 1.112 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.039 -15.167 1.704 1.00 0.00 H new ATOM 1360 N ALA A 86 -2.729 -7.917 -1.871 1.00 0.00 N ATOM 1361 CA ALA A 86 -2.639 -8.029 -3.330 1.00 0.00 C ATOM 1362 C ALA A 86 -3.164 -6.766 -4.042 1.00 0.00 C ATOM 1363 O ALA A 86 -2.561 -6.291 -5.002 1.00 0.00 O ATOM 1364 CB ALA A 86 -3.418 -9.284 -3.745 1.00 0.00 C ATOM 0 H ALA A 86 -3.467 -8.494 -1.469 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.595 -8.118 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.372 -9.399 -4.828 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.978 -10.160 -3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.458 -9.186 -3.434 1.00 0.00 H new ATOM 1370 N LYS A 87 -4.253 -6.180 -3.529 1.00 0.00 N ATOM 1371 CA LYS A 87 -4.865 -4.960 -4.075 1.00 0.00 C ATOM 1372 C LYS A 87 -3.920 -3.753 -3.975 1.00 0.00 C ATOM 1373 O LYS A 87 -3.736 -3.031 -4.955 1.00 0.00 O ATOM 1374 CB LYS A 87 -6.180 -4.679 -3.330 1.00 0.00 C ATOM 1375 CG LYS A 87 -7.236 -5.777 -3.520 1.00 0.00 C ATOM 1376 CD LYS A 87 -8.536 -5.345 -2.837 1.00 0.00 C ATOM 1377 CE LYS A 87 -9.478 -6.542 -2.650 1.00 0.00 C ATOM 1378 NZ LYS A 87 -10.554 -6.224 -1.679 1.00 0.00 N ATOM 0 H LYS A 87 -4.742 -6.545 -2.711 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.067 -5.119 -5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.970 -4.568 -2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.588 -3.729 -3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.409 -5.952 -4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -6.882 -6.716 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.312 -4.898 -1.868 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.029 -4.579 -3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.918 -6.817 -3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.911 -7.405 -2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.117 -7.078 -1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.131 -5.887 -0.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.169 -5.483 -2.073 1.00 0.00 H new ATOM 1392 N VAL A 88 -3.272 -3.565 -2.823 1.00 0.00 N ATOM 1393 CA VAL A 88 -2.294 -2.480 -2.630 1.00 0.00 C ATOM 1394 C VAL A 88 -1.009 -2.742 -3.432 1.00 0.00 C ATOM 1395 O VAL A 88 -0.459 -1.801 -3.997 1.00 0.00 O ATOM 1396 CB VAL A 88 -1.991 -2.236 -1.135 1.00 0.00 C ATOM 1397 CG1 VAL A 88 -0.929 -1.141 -0.945 1.00 0.00 C ATOM 1398 CG2 VAL A 88 -3.259 -1.793 -0.386 1.00 0.00 C ATOM 0 H VAL A 88 -3.406 -4.153 -2.000 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.744 -1.565 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.621 -3.180 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.742 -0.997 0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.005 -1.441 -1.439 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.287 -0.208 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.022 -1.627 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.636 -0.868 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.020 -2.569 -0.468 1.00 0.00 H new ATOM 1408 N CYS A 89 -0.563 -4.000 -3.573 1.00 0.00 N ATOM 1409 CA CYS A 89 0.539 -4.347 -4.481 1.00 0.00 C ATOM 1410 C CYS A 89 0.232 -3.902 -5.924 1.00 0.00 C ATOM 1411 O CYS A 89 1.024 -3.187 -6.542 1.00 0.00 O ATOM 1412 CB CYS A 89 0.798 -5.856 -4.362 1.00 0.00 C ATOM 1413 SG CYS A 89 2.255 -6.308 -5.346 1.00 0.00 S ATOM 0 H CYS A 89 -0.951 -4.796 -3.067 1.00 0.00 H new ATOM 0 HA CYS A 89 1.448 -3.814 -4.200 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.955 -6.126 -3.318 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.073 -6.412 -4.708 1.00 0.00 H new ATOM 0 HG CYS A 89 2.348 -7.603 -5.414 1.00 0.00 H new ATOM 1419 N GLU A 90 -0.963 -4.233 -6.420 1.00 0.00 N ATOM 1420 CA GLU A 90 -1.445 -3.805 -7.729 1.00 0.00 C ATOM 1421 C GLU A 90 -1.499 -2.271 -7.870 1.00 0.00 C ATOM 1422 O GLU A 90 -1.080 -1.761 -8.909 1.00 0.00 O ATOM 1423 CB GLU A 90 -2.807 -4.464 -8.003 1.00 0.00 C ATOM 1424 CG GLU A 90 -3.249 -4.275 -9.456 1.00 0.00 C ATOM 1425 CD GLU A 90 -4.529 -5.069 -9.753 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -5.643 -4.534 -9.536 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -4.431 -6.229 -10.216 1.00 0.00 O ATOM 0 H GLU A 90 -1.630 -4.815 -5.913 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.733 -4.135 -8.486 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.747 -5.529 -7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.557 -4.038 -7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.420 -3.217 -9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.453 -4.599 -10.126 1.00 0.00 H new ATOM 1434 N PHE A 91 -1.922 -1.521 -6.839 1.00 0.00 N ATOM 1435 CA PHE A 91 -1.912 -0.052 -6.850 1.00 0.00 C ATOM 1436 C PHE A 91 -0.496 0.509 -7.048 1.00 0.00 C ATOM 1437 O PHE A 91 -0.273 1.356 -7.914 1.00 0.00 O ATOM 1438 CB PHE A 91 -2.520 0.487 -5.540 1.00 0.00 C ATOM 1439 CG PHE A 91 -2.195 1.947 -5.292 1.00 0.00 C ATOM 1440 CD1 PHE A 91 -2.783 2.943 -6.092 1.00 0.00 C ATOM 1441 CD2 PHE A 91 -1.217 2.299 -4.343 1.00 0.00 C ATOM 1442 CE1 PHE A 91 -2.375 4.280 -5.960 1.00 0.00 C ATOM 1443 CE2 PHE A 91 -0.817 3.640 -4.203 1.00 0.00 C ATOM 1444 CZ PHE A 91 -1.392 4.630 -5.017 1.00 0.00 C ATOM 0 H PHE A 91 -2.282 -1.920 -5.972 1.00 0.00 H new ATOM 0 HA PHE A 91 -2.516 0.279 -7.695 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.602 0.362 -5.570 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.153 -0.108 -4.704 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.548 2.680 -6.807 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -0.772 1.537 -3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.817 5.042 -6.585 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.069 3.908 -3.471 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.079 5.659 -4.919 1.00 0.00 H new ATOM 1454 N MET A 92 0.464 0.023 -6.257 1.00 0.00 N ATOM 1455 CA MET A 92 1.861 0.471 -6.281 1.00 0.00 C ATOM 1456 C MET A 92 2.486 0.245 -7.668 1.00 0.00 C ATOM 1457 O MET A 92 3.216 1.095 -8.174 1.00 0.00 O ATOM 1458 CB MET A 92 2.639 -0.287 -5.194 1.00 0.00 C ATOM 1459 CG MET A 92 2.135 -0.029 -3.765 1.00 0.00 C ATOM 1460 SD MET A 92 2.749 1.445 -2.922 1.00 0.00 S ATOM 1461 CE MET A 92 1.567 1.455 -1.553 1.00 0.00 C ATOM 0 H MET A 92 0.289 -0.708 -5.567 1.00 0.00 H new ATOM 0 HA MET A 92 1.906 1.541 -6.079 1.00 0.00 H new ATOM 0 HB2 MET A 92 2.582 -1.356 -5.400 1.00 0.00 H new ATOM 0 HB3 MET A 92 3.691 -0.007 -5.253 1.00 0.00 H new ATOM 0 HG2 MET A 92 1.047 0.030 -3.797 1.00 0.00 H new ATOM 0 HG3 MET A 92 2.390 -0.896 -3.156 1.00 0.00 H new ATOM 0 HE1 MET A 92 1.774 2.303 -0.900 1.00 0.00 H new ATOM 0 HE2 MET A 92 0.554 1.539 -1.947 1.00 0.00 H new ATOM 0 HE3 MET A 92 1.660 0.529 -0.986 1.00 0.00 H new ATOM 1471 N ILE A 93 2.145 -0.865 -8.325 1.00 0.00 N ATOM 1472 CA ILE A 93 2.622 -1.201 -9.678 1.00 0.00 C ATOM 1473 C ILE A 93 1.898 -0.362 -10.744 1.00 0.00 C ATOM 1474 O ILE A 93 2.529 0.187 -11.645 1.00 0.00 O ATOM 1475 CB ILE A 93 2.462 -2.725 -9.910 1.00 0.00 C ATOM 1476 CG1 ILE A 93 3.332 -3.529 -8.914 1.00 0.00 C ATOM 1477 CG2 ILE A 93 2.842 -3.139 -11.345 1.00 0.00 C ATOM 1478 CD1 ILE A 93 2.925 -5.002 -8.808 1.00 0.00 C ATOM 0 H ILE A 93 1.521 -1.569 -7.931 1.00 0.00 H new ATOM 0 HA ILE A 93 3.680 -0.954 -9.767 1.00 0.00 H new ATOM 0 HB ILE A 93 1.408 -2.951 -9.751 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.376 -3.469 -9.223 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.264 -3.068 -7.928 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.714 -4.215 -11.459 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.199 -2.620 -12.056 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.882 -2.875 -11.536 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.574 -5.508 -8.094 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.891 -5.070 -8.470 1.00 0.00 H new ATOM 0 HD13 ILE A 93 3.020 -5.477 -9.785 1.00 0.00 H new ATOM 1490 N SER A 94 0.576 -0.232 -10.639 1.00 0.00 N ATOM 1491 CA SER A 94 -0.274 0.341 -11.693 1.00 0.00 C ATOM 1492 C SER A 94 -0.394 1.874 -11.674 1.00 0.00 C ATOM 1493 O SER A 94 -0.768 2.464 -12.690 1.00 0.00 O ATOM 1494 CB SER A 94 -1.688 -0.255 -11.588 1.00 0.00 C ATOM 1495 OG SER A 94 -1.678 -1.670 -11.695 1.00 0.00 O ATOM 0 H SER A 94 0.055 -0.524 -9.812 1.00 0.00 H new ATOM 0 HA SER A 94 0.219 0.083 -12.630 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.133 0.033 -10.636 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.317 0.164 -12.374 1.00 0.00 H new ATOM 0 HG SER A 94 -1.480 -2.063 -10.819 1.00 0.00 H new ATOM 1501 N GLN A 95 -0.144 2.539 -10.538 1.00 0.00 N ATOM 1502 CA GLN A 95 -0.310 3.995 -10.390 1.00 0.00 C ATOM 1503 C GLN A 95 0.984 4.725 -10.008 1.00 0.00 C ATOM 1504 O GLN A 95 1.224 5.815 -10.530 1.00 0.00 O ATOM 1505 CB GLN A 95 -1.421 4.285 -9.365 1.00 0.00 C ATOM 1506 CG GLN A 95 -2.816 3.776 -9.780 1.00 0.00 C ATOM 1507 CD GLN A 95 -3.416 4.530 -10.973 1.00 0.00 C ATOM 1508 OE1 GLN A 95 -4.212 5.450 -10.820 1.00 0.00 O ATOM 1509 NE2 GLN A 95 -3.070 4.195 -12.202 1.00 0.00 N ATOM 0 H GLN A 95 0.182 2.080 -9.688 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.592 4.384 -11.368 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.149 3.829 -8.413 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -1.474 5.361 -9.199 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.748 2.717 -10.028 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.492 3.862 -8.930 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.410 3.433 -12.356 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -3.463 4.698 -12.998 1.00 0.00 H new ATOM 1518 N LEU A 96 1.839 4.149 -9.147 1.00 0.00 N ATOM 1519 CA LEU A 96 3.148 4.745 -8.828 1.00 0.00 C ATOM 1520 C LEU A 96 4.222 4.401 -9.875 1.00 0.00 C ATOM 1521 O LEU A 96 5.280 5.032 -9.905 1.00 0.00 O ATOM 1522 CB LEU A 96 3.617 4.331 -7.420 1.00 0.00 C ATOM 1523 CG LEU A 96 2.584 4.513 -6.285 1.00 0.00 C ATOM 1524 CD1 LEU A 96 3.245 4.153 -4.951 1.00 0.00 C ATOM 1525 CD2 LEU A 96 2.026 5.944 -6.207 1.00 0.00 C ATOM 0 H LEU A 96 1.648 3.273 -8.660 1.00 0.00 H new ATOM 0 HA LEU A 96 3.011 5.826 -8.848 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.914 3.283 -7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.508 4.907 -7.170 1.00 0.00 H new ATOM 0 HG LEU A 96 1.743 3.854 -6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.525 4.278 -4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.582 3.117 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.099 4.808 -4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.306 6.010 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.842 6.644 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.534 6.194 -7.147 1.00 0.00 H new ATOM 1537 N GLY A 97 3.958 3.403 -10.730 1.00 0.00 N ATOM 1538 CA GLY A 97 4.867 2.940 -11.784 1.00 0.00 C ATOM 1539 C GLY A 97 5.975 2.014 -11.275 1.00 0.00 C ATOM 1540 O GLY A 97 6.958 1.804 -11.991 1.00 0.00 O ATOM 0 H GLY A 97 3.081 2.882 -10.705 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.290 2.417 -12.546 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.321 3.805 -12.266 1.00 0.00 H new ATOM 1544 N LEU A 98 5.850 1.477 -10.053 1.00 0.00 N ATOM 1545 CA LEU A 98 6.832 0.562 -9.465 1.00 0.00 C ATOM 1546 C LEU A 98 6.814 -0.810 -10.163 1.00 0.00 C ATOM 1547 O LEU A 98 5.835 -1.183 -10.812 1.00 0.00 O ATOM 1548 CB LEU A 98 6.598 0.445 -7.948 1.00 0.00 C ATOM 1549 CG LEU A 98 6.905 1.749 -7.180 1.00 0.00 C ATOM 1550 CD1 LEU A 98 6.353 1.635 -5.757 1.00 0.00 C ATOM 1551 CD2 LEU A 98 8.416 2.027 -7.113 1.00 0.00 C ATOM 0 H LEU A 98 5.056 1.669 -9.442 1.00 0.00 H new ATOM 0 HA LEU A 98 7.830 0.972 -9.621 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.561 0.161 -7.768 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.221 -0.357 -7.552 1.00 0.00 H new ATOM 0 HG LEU A 98 6.432 2.574 -7.712 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.567 2.553 -5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.275 1.478 -5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.824 0.792 -5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.592 2.953 -6.565 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.915 1.203 -6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.814 2.123 -8.123 1.00 0.00 H new ATOM 1563 N GLN A 99 7.896 -1.572 -10.031 1.00 0.00 N ATOM 1564 CA GLN A 99 7.994 -2.932 -10.566 1.00 0.00 C ATOM 1565 C GLN A 99 7.465 -3.942 -9.537 1.00 0.00 C ATOM 1566 O GLN A 99 7.595 -3.733 -8.330 1.00 0.00 O ATOM 1567 CB GLN A 99 9.454 -3.252 -10.935 1.00 0.00 C ATOM 1568 CG GLN A 99 10.061 -2.266 -11.951 1.00 0.00 C ATOM 1569 CD GLN A 99 11.509 -2.597 -12.329 1.00 0.00 C ATOM 1570 OE1 GLN A 99 12.269 -3.201 -11.580 1.00 0.00 O ATOM 1571 NE2 GLN A 99 11.958 -2.212 -13.506 1.00 0.00 N ATOM 0 H GLN A 99 8.738 -1.263 -9.546 1.00 0.00 H new ATOM 0 HA GLN A 99 7.385 -3.003 -11.468 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.059 -3.246 -10.029 1.00 0.00 H new ATOM 0 HB3 GLN A 99 9.504 -4.261 -11.345 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.449 -2.263 -12.853 1.00 0.00 H new ATOM 0 HG3 GLN A 99 10.023 -1.259 -11.536 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.344 -1.708 -14.146 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.919 -2.418 -13.777 1.00 0.00 H new ATOM 1580 N LYS A 100 6.931 -5.083 -9.991 1.00 0.00 N ATOM 1581 CA LYS A 100 6.495 -6.165 -9.093 1.00 0.00 C ATOM 1582 C LYS A 100 7.638 -6.632 -8.167 1.00 0.00 C ATOM 1583 O LYS A 100 7.441 -6.841 -6.970 1.00 0.00 O ATOM 1584 CB LYS A 100 5.933 -7.316 -9.956 1.00 0.00 C ATOM 1585 CG LYS A 100 5.492 -8.573 -9.183 1.00 0.00 C ATOM 1586 CD LYS A 100 4.357 -8.323 -8.174 1.00 0.00 C ATOM 1587 CE LYS A 100 3.960 -9.598 -7.409 1.00 0.00 C ATOM 1588 NZ LYS A 100 3.297 -10.609 -8.276 1.00 0.00 N ATOM 0 H LYS A 100 6.789 -5.283 -10.981 1.00 0.00 H new ATOM 0 HA LYS A 100 5.711 -5.800 -8.430 1.00 0.00 H new ATOM 0 HB2 LYS A 100 5.079 -6.940 -10.520 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.692 -7.606 -10.682 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.169 -9.331 -9.897 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.352 -8.981 -8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.669 -7.558 -7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.486 -7.933 -8.700 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.850 -10.039 -6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.290 -9.332 -6.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.037 -11.439 -7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.441 -10.196 -8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.950 -10.900 -9.032 1.00 0.00 H new ATOM 1602 N LYS A 101 8.864 -6.701 -8.702 1.00 0.00 N ATOM 1603 CA LYS A 101 10.101 -7.024 -7.971 1.00 0.00 C ATOM 1604 C LYS A 101 10.551 -5.967 -6.934 1.00 0.00 C ATOM 1605 O LYS A 101 11.562 -6.177 -6.269 1.00 0.00 O ATOM 1606 CB LYS A 101 11.214 -7.379 -8.980 1.00 0.00 C ATOM 1607 CG LYS A 101 11.553 -6.248 -9.968 1.00 0.00 C ATOM 1608 CD LYS A 101 12.723 -6.607 -10.893 1.00 0.00 C ATOM 1609 CE LYS A 101 14.071 -6.540 -10.161 1.00 0.00 C ATOM 1610 NZ LYS A 101 15.204 -6.818 -11.080 1.00 0.00 N ATOM 0 H LYS A 101 9.030 -6.527 -9.693 1.00 0.00 H new ATOM 0 HA LYS A 101 9.879 -7.893 -7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.116 -7.648 -8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.910 -8.261 -9.544 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.674 -6.021 -10.571 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.799 -5.344 -9.410 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.576 -7.611 -11.292 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.737 -5.925 -11.743 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.196 -5.553 -9.716 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.079 -7.261 -9.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.068 -6.372 -10.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.349 -7.845 -11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.990 -6.432 -12.022 1.00 0.00 H new ATOM 1624 N ASN A 102 9.828 -4.853 -6.757 1.00 0.00 N ATOM 1625 CA ASN A 102 10.042 -3.908 -5.648 1.00 0.00 C ATOM 1626 C ASN A 102 9.150 -4.203 -4.422 1.00 0.00 C ATOM 1627 O ASN A 102 9.231 -3.483 -3.425 1.00 0.00 O ATOM 1628 CB ASN A 102 9.787 -2.461 -6.114 1.00 0.00 C ATOM 1629 CG ASN A 102 10.590 -2.004 -7.332 1.00 0.00 C ATOM 1630 OD1 ASN A 102 10.097 -1.249 -8.162 1.00 0.00 O ATOM 1631 ND2 ASN A 102 11.835 -2.422 -7.486 1.00 0.00 N ATOM 0 H ASN A 102 9.071 -4.578 -7.384 1.00 0.00 H new ATOM 0 HA ASN A 102 11.081 -4.032 -5.342 1.00 0.00 H new ATOM 0 HB2 ASN A 102 8.726 -2.354 -6.340 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.006 -1.788 -5.285 1.00 0.00 H new ATOM 0 HD21 ASN A 102 12.380 -2.116 -8.292 1.00 0.00 H new ATOM 0 HD22 ASN A 102 12.251 -3.050 -6.798 1.00 0.00 H new ATOM 1638 N ILE A 103 8.270 -5.213 -4.468 1.00 0.00 N ATOM 1639 CA ILE A 103 7.231 -5.431 -3.448 1.00 0.00 C ATOM 1640 C ILE A 103 7.260 -6.866 -2.911 1.00 0.00 C ATOM 1641 O ILE A 103 7.285 -7.833 -3.673 1.00 0.00 O ATOM 1642 CB ILE A 103 5.833 -5.069 -4.014 1.00 0.00 C ATOM 1643 CG1 ILE A 103 5.847 -3.678 -4.699 1.00 0.00 C ATOM 1644 CG2 ILE A 103 4.788 -5.117 -2.880 1.00 0.00 C ATOM 1645 CD1 ILE A 103 4.505 -3.255 -5.293 1.00 0.00 C ATOM 0 H ILE A 103 8.258 -5.906 -5.217 1.00 0.00 H new ATOM 0 HA ILE A 103 7.441 -4.771 -2.607 1.00 0.00 H new ATOM 0 HB ILE A 103 5.563 -5.801 -4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.160 -2.930 -3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.596 -3.684 -5.491 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.806 -4.862 -3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.758 -6.120 -2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.061 -4.402 -2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.604 -2.271 -5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.197 -3.978 -6.048 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.755 -3.213 -4.503 1.00 0.00 H new ATOM 1657 N LYS A 104 7.219 -6.999 -1.585 1.00 0.00 N ATOM 1658 CA LYS A 104 7.008 -8.254 -0.861 1.00 0.00 C ATOM 1659 C LYS A 104 5.564 -8.312 -0.325 1.00 0.00 C ATOM 1660 O LYS A 104 5.118 -7.405 0.386 1.00 0.00 O ATOM 1661 CB LYS A 104 8.002 -8.356 0.310 1.00 0.00 C ATOM 1662 CG LYS A 104 9.497 -8.269 -0.032 1.00 0.00 C ATOM 1663 CD LYS A 104 9.966 -9.328 -1.038 1.00 0.00 C ATOM 1664 CE LYS A 104 11.499 -9.389 -1.023 1.00 0.00 C ATOM 1665 NZ LYS A 104 12.034 -10.315 -2.055 1.00 0.00 N ATOM 0 H LYS A 104 7.337 -6.202 -0.959 1.00 0.00 H new ATOM 0 HA LYS A 104 7.171 -9.089 -1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.771 -7.562 1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.826 -9.302 0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.711 -7.279 -0.435 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.076 -8.372 0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.548 -10.302 -0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.609 -9.081 -2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.902 -8.390 -1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.839 -9.710 -0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.680 -10.996 -1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.247 -10.827 -2.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 12.549 -9.771 -2.776 1.00 0.00 H new ATOM 1679 N ILE A 105 4.839 -9.391 -0.629 1.00 0.00 N ATOM 1680 CA ILE A 105 3.529 -9.705 -0.032 1.00 0.00 C ATOM 1681 C ILE A 105 3.749 -10.711 1.105 1.00 0.00 C ATOM 1682 O ILE A 105 4.295 -11.793 0.884 1.00 0.00 O ATOM 1683 CB ILE A 105 2.550 -10.236 -1.111 1.00 0.00 C ATOM 1684 CG1 ILE A 105 2.281 -9.148 -2.183 1.00 0.00 C ATOM 1685 CG2 ILE A 105 1.229 -10.691 -0.467 1.00 0.00 C ATOM 1686 CD1 ILE A 105 1.330 -9.593 -3.304 1.00 0.00 C ATOM 0 H ILE A 105 5.147 -10.086 -1.309 1.00 0.00 H new ATOM 0 HA ILE A 105 3.070 -8.806 0.380 1.00 0.00 H new ATOM 0 HB ILE A 105 3.011 -11.096 -1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 105 1.863 -8.268 -1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.231 -8.846 -2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 105 0.555 -11.060 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 105 1.429 -11.487 0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.765 -9.849 0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 105 1.194 -8.775 -4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 105 1.754 -10.454 -3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.366 -9.866 -2.876 1.00 0.00 H new ATOM 1698 N HIS A 106 3.317 -10.357 2.315 1.00 0.00 N ATOM 1699 CA HIS A 106 3.397 -11.192 3.522 1.00 0.00 C ATOM 1700 C HIS A 106 1.996 -11.587 4.046 1.00 0.00 C ATOM 1701 O HIS A 106 0.971 -11.114 3.545 1.00 0.00 O ATOM 1702 CB HIS A 106 4.204 -10.433 4.587 1.00 0.00 C ATOM 1703 CG HIS A 106 5.593 -10.034 4.157 1.00 0.00 C ATOM 1704 ND1 HIS A 106 6.728 -10.847 4.227 1.00 0.00 N ATOM 1705 CD2 HIS A 106 5.959 -8.800 3.702 1.00 0.00 C ATOM 1706 CE1 HIS A 106 7.748 -10.080 3.805 1.00 0.00 C ATOM 1707 NE2 HIS A 106 7.319 -8.844 3.500 1.00 0.00 N ATOM 0 H HIS A 106 2.886 -9.450 2.492 1.00 0.00 H new ATOM 0 HA HIS A 106 3.901 -12.127 3.278 1.00 0.00 H new ATOM 0 HB2 HIS A 106 3.654 -9.536 4.870 1.00 0.00 H new ATOM 0 HB3 HIS A 106 4.279 -11.055 5.479 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.308 -7.955 3.534 1.00 0.00 H new ATOM 0 HE1 HIS A 106 8.772 -10.412 3.722 1.00 0.00 H new ATOM 0 HE2 HIS A 106 7.901 -8.072 3.175 1.00 0.00 H new ATOM 1715 N GLY A 107 1.937 -12.475 5.044 1.00 0.00 N ATOM 1716 CA GLY A 107 0.697 -12.922 5.699 1.00 0.00 C ATOM 1717 C GLY A 107 0.432 -12.223 7.034 1.00 0.00 C ATOM 1718 O GLY A 107 0.879 -11.097 7.266 1.00 0.00 O ATOM 0 H GLY A 107 2.771 -12.916 5.431 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.144 -12.743 5.030 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.749 -13.998 5.864 1.00 0.00 H new ATOM 1722 N PHE A 108 -0.317 -12.910 7.897 1.00 0.00 N ATOM 1723 CA PHE A 108 -0.540 -12.564 9.314 1.00 0.00 C ATOM 1724 C PHE A 108 0.686 -12.873 10.210 1.00 0.00 C ATOM 1725 O PHE A 108 0.838 -12.196 11.251 1.00 0.00 O ATOM 1726 CB PHE A 108 -1.762 -13.336 9.847 1.00 0.00 C ATOM 1727 CG PHE A 108 -3.125 -12.931 9.305 1.00 0.00 C ATOM 1728 CD1 PHE A 108 -3.553 -13.356 8.031 1.00 0.00 C ATOM 1729 CD2 PHE A 108 -4.008 -12.190 10.116 1.00 0.00 C ATOM 1730 CE1 PHE A 108 -4.843 -13.038 7.571 1.00 0.00 C ATOM 1731 CE2 PHE A 108 -5.304 -11.881 9.663 1.00 0.00 C ATOM 1732 CZ PHE A 108 -5.721 -12.304 8.388 1.00 0.00 C ATOM 1733 OXT PHE A 108 1.458 -13.810 9.897 1.00 0.00 O ATOM 0 H PHE A 108 -0.809 -13.760 7.623 1.00 0.00 H new ATOM 0 HA PHE A 108 -0.711 -11.488 9.356 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -1.613 -14.395 9.634 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -1.783 -13.229 10.932 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -2.886 -13.929 7.404 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -3.688 -11.857 11.092 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.160 -13.358 6.589 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.978 -11.320 10.294 1.00 0.00 H new ATOM 0 HZ PHE A 108 -6.714 -12.065 8.037 1.00 0.00 H new TER 1743 PHE A 108