USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 953 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 101 ASN : amide:sc= 0.695 K(o=1.1,f=-7.9!) USER MOD Set 1.2: A 104 ASN : amide:sc= 0.371 X(o=1.1,f=0.69) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -179:sc= 0.291 (180deg=0) USER MOD Set 2.2: A 53 THR OG1 : rot -120:sc= 0.271 USER MOD Set 3.1: A 29 LYS NZ :NH3+ -110:sc= 1.22 (180deg=-0.806) USER MOD Set 3.2: A 38 TYR OH : rot -33:sc= 1.27 USER MOD Set 4.1: A 18 HIS : no HD1:sc= 0.846 K(o=1.9,f=-3.2!) USER MOD Set 4.2: A 81 TYR OH : rot -98:sc= 1.02 USER MOD Single : A 1 MET CE :methyl -174:sc= 0 (180deg=-0.0437) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot -25:sc= -4.33! USER MOD Single : A 22 MET CE :methyl -156:sc= -0.0275 (180deg=-0.456) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 142:sc= 0.685 (180deg=-1.23!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 35 SER OG : rot 71:sc= 0.754 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 135:sc= -0.544 (180deg=-4.65!) USER MOD Single : A 39 THR OG1 : rot 31:sc= 0.352 USER MOD Single : A 40 SER OG : rot -170:sc= -0.528 USER MOD Single : A 43 ASN : amide:sc= 0.904 K(o=0.9,f=-2!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.639 K(o=-0.64,f=-6!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -162:sc= -0.0518 (180deg=-0.346) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.35 F(o=-0.97,f=-0.35) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= 1.27 (180deg=1.2) USER MOD Single : A 76 CYS SG : rot 73:sc= -3.5 USER MOD Single : A 80 HIS : no HE2:sc= 0.816 K(o=0.82,f=-5.4!) USER MOD Single : A 82 GLN : amide:sc= -0.306! C(o=-0.31!,f=-4!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0.0938 USER MOD Single : A 87 SER OG : rot 180:sc= -0.874 USER MOD Single : A 94 TYR OH : rot 180:sc= -0.125 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 144:sc= 0.765 (180deg=-1.47!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= 1.19 K(o=1.2,f=-0.0016) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ -169:sc= 0.247 (180deg=-0.265) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.919 17.195 -8.007 1.00 0.00 N ATOM 2 CA MET A 1 -12.826 16.563 -7.242 1.00 0.00 C ATOM 3 C MET A 1 -13.203 16.420 -5.785 1.00 0.00 C ATOM 4 O MET A 1 -13.371 17.406 -5.064 1.00 0.00 O ATOM 5 CB MET A 1 -11.527 17.369 -7.373 1.00 0.00 C ATOM 6 CG MET A 1 -10.381 16.817 -6.533 1.00 0.00 C ATOM 7 SD MET A 1 -8.870 17.797 -6.666 1.00 0.00 S ATOM 8 CE MET A 1 -8.295 17.333 -8.299 1.00 0.00 C ATOM 0 H1 MET A 1 -13.639 17.283 -9.005 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.775 16.608 -7.939 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.114 18.139 -7.617 1.00 0.00 H new ATOM 0 HA MET A 1 -12.660 15.569 -7.659 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.224 17.387 -8.420 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.718 18.401 -7.079 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.690 16.777 -5.489 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.172 15.793 -6.843 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.315 17.776 -8.479 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.220 16.248 -8.363 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.999 17.693 -9.049 1.00 0.00 H new ATOM 18 N VAL A 2 -13.365 15.178 -5.374 1.00 0.00 N ATOM 19 CA VAL A 2 -13.698 14.858 -4.005 1.00 0.00 C ATOM 20 C VAL A 2 -12.588 14.016 -3.401 1.00 0.00 C ATOM 21 O VAL A 2 -11.686 13.573 -4.117 1.00 0.00 O ATOM 22 CB VAL A 2 -15.042 14.104 -3.883 1.00 0.00 C ATOM 23 CG1 VAL A 2 -16.216 15.053 -4.083 1.00 0.00 C ATOM 24 CG2 VAL A 2 -15.111 12.950 -4.872 1.00 0.00 C ATOM 0 H VAL A 2 -13.269 14.364 -5.981 1.00 0.00 H new ATOM 0 HA VAL A 2 -13.804 15.799 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 2 -15.104 13.691 -2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -17.151 14.500 -3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -16.184 15.837 -3.326 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -16.155 15.503 -5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -16.066 12.436 -4.765 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -15.017 13.335 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -14.299 12.251 -4.673 1.00 0.00 H new ATOM 34 N ASP A 3 -12.659 13.820 -2.094 1.00 0.00 N ATOM 35 CA ASP A 3 -11.668 13.037 -1.353 1.00 0.00 C ATOM 36 C ASP A 3 -10.326 13.760 -1.348 1.00 0.00 C ATOM 37 O ASP A 3 -9.262 13.144 -1.379 1.00 0.00 O ATOM 38 CB ASP A 3 -11.514 11.625 -1.937 1.00 0.00 C ATOM 39 CG ASP A 3 -12.711 10.736 -1.661 1.00 0.00 C ATOM 40 OD1 ASP A 3 -13.053 9.907 -2.531 1.00 0.00 O ATOM 41 OD2 ASP A 3 -13.318 10.854 -0.575 1.00 0.00 O ATOM 0 H ASP A 3 -13.405 14.198 -1.511 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.021 12.933 -0.327 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.363 11.698 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -10.620 11.161 -1.520 1.00 0.00 H new ATOM 46 N LEU A 4 -10.398 15.080 -1.304 1.00 0.00 N ATOM 47 CA LEU A 4 -9.213 15.926 -1.290 1.00 0.00 C ATOM 48 C LEU A 4 -8.992 16.481 0.113 1.00 0.00 C ATOM 49 O LEU A 4 -8.086 17.286 0.342 1.00 0.00 O ATOM 50 CB LEU A 4 -9.352 17.069 -2.302 1.00 0.00 C ATOM 51 CG LEU A 4 -10.098 18.305 -1.796 1.00 0.00 C ATOM 52 CD1 LEU A 4 -9.140 19.473 -1.639 1.00 0.00 C ATOM 53 CD2 LEU A 4 -11.236 18.668 -2.736 1.00 0.00 C ATOM 0 H LEU A 4 -11.277 15.596 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.349 15.325 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.355 17.372 -2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.868 16.690 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.525 18.074 -0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.685 20.345 -1.278 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.361 19.211 -0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.685 19.703 -2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.753 19.550 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.836 18.880 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.936 17.835 -2.798 1.00 0.00 H new ATOM 65 N GLU A 5 -9.844 16.030 1.039 1.00 0.00 N ATOM 66 CA GLU A 5 -9.838 16.457 2.449 1.00 0.00 C ATOM 67 C GLU A 5 -8.456 16.333 3.119 1.00 0.00 C ATOM 68 O GLU A 5 -8.283 16.732 4.271 1.00 0.00 O ATOM 69 CB GLU A 5 -10.883 15.661 3.248 1.00 0.00 C ATOM 70 CG GLU A 5 -11.936 14.949 2.395 1.00 0.00 C ATOM 71 CD GLU A 5 -12.750 15.893 1.517 1.00 0.00 C ATOM 72 OE1 GLU A 5 -13.583 16.649 2.053 1.00 0.00 O ATOM 73 OE2 GLU A 5 -12.552 15.875 0.280 1.00 0.00 O ATOM 0 H GLU A 5 -10.571 15.346 0.830 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.092 17.517 2.452 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.366 14.919 3.857 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -11.390 16.340 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.441 14.213 1.761 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.613 14.401 3.051 1.00 0.00 H new ATOM 80 N GLN A 6 -7.497 15.748 2.397 1.00 0.00 N ATOM 81 CA GLN A 6 -6.110 15.601 2.848 1.00 0.00 C ATOM 82 C GLN A 6 -5.926 14.456 3.841 1.00 0.00 C ATOM 83 O GLN A 6 -4.911 14.386 4.536 1.00 0.00 O ATOM 84 CB GLN A 6 -5.561 16.916 3.420 1.00 0.00 C ATOM 85 CG GLN A 6 -4.085 17.128 3.124 1.00 0.00 C ATOM 86 CD GLN A 6 -3.373 17.874 4.231 1.00 0.00 C ATOM 87 OE1 GLN A 6 -3.069 19.063 4.112 1.00 0.00 O ATOM 88 NE2 GLN A 6 -3.127 17.181 5.327 1.00 0.00 N ATOM 0 H GLN A 6 -7.664 15.358 1.470 1.00 0.00 H new ATOM 0 HA GLN A 6 -5.530 15.345 1.962 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -6.131 17.749 3.009 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -5.714 16.927 4.499 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -3.605 16.161 2.975 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -3.981 17.682 2.191 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -3.397 16.199 5.381 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.667 17.628 6.120 1.00 0.00 H new ATOM 97 N GLU A 7 -6.892 13.545 3.886 1.00 0.00 N ATOM 98 CA GLU A 7 -6.798 12.370 4.755 1.00 0.00 C ATOM 99 C GLU A 7 -6.002 11.289 4.026 1.00 0.00 C ATOM 100 O GLU A 7 -5.954 10.130 4.427 1.00 0.00 O ATOM 101 CB GLU A 7 -8.192 11.854 5.134 1.00 0.00 C ATOM 102 CG GLU A 7 -9.317 12.754 4.656 1.00 0.00 C ATOM 103 CD GLU A 7 -10.599 12.588 5.458 1.00 0.00 C ATOM 104 OE1 GLU A 7 -11.056 11.439 5.633 1.00 0.00 O ATOM 105 OE2 GLU A 7 -11.150 13.608 5.920 1.00 0.00 O ATOM 0 H GLU A 7 -7.748 13.594 3.334 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.290 12.642 5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.330 10.858 4.713 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.252 11.754 6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.992 13.793 4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.522 12.542 3.607 1.00 0.00 H new ATOM 112 N PHE A 8 -5.367 11.720 2.944 1.00 0.00 N ATOM 113 CA PHE A 8 -4.552 10.887 2.098 1.00 0.00 C ATOM 114 C PHE A 8 -3.331 11.707 1.773 1.00 0.00 C ATOM 115 O PHE A 8 -3.163 12.178 0.649 1.00 0.00 O ATOM 116 CB PHE A 8 -5.259 10.524 0.789 1.00 0.00 C ATOM 117 CG PHE A 8 -6.751 10.397 0.870 1.00 0.00 C ATOM 118 CD1 PHE A 8 -7.351 9.155 0.784 1.00 0.00 C ATOM 119 CD2 PHE A 8 -7.554 11.523 1.008 1.00 0.00 C ATOM 120 CE1 PHE A 8 -8.721 9.036 0.835 1.00 0.00 C ATOM 121 CE2 PHE A 8 -8.924 11.405 1.064 1.00 0.00 C ATOM 122 CZ PHE A 8 -9.508 10.161 0.976 1.00 0.00 C ATOM 0 H PHE A 8 -5.412 12.689 2.630 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.323 9.951 2.608 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.017 11.282 0.044 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.851 9.580 0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.740 8.271 0.676 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.098 12.500 1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.181 8.061 0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.539 12.285 1.177 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.583 10.066 1.017 1.00 0.00 H new ATOM 132 N ALA A 9 -2.508 11.926 2.771 1.00 0.00 N ATOM 133 CA ALA A 9 -1.347 12.734 2.602 1.00 0.00 C ATOM 134 C ALA A 9 -0.255 12.303 3.554 1.00 0.00 C ATOM 135 O ALA A 9 -0.244 11.173 4.041 1.00 0.00 O ATOM 136 CB ALA A 9 -1.720 14.194 2.808 1.00 0.00 C ATOM 0 H ALA A 9 -2.631 11.548 3.710 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.960 12.611 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.835 14.817 2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.476 14.483 2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.117 14.330 3.814 1.00 0.00 H new ATOM 142 N LEU A 10 0.639 13.224 3.813 1.00 0.00 N ATOM 143 CA LEU A 10 1.795 12.996 4.660 1.00 0.00 C ATOM 144 C LEU A 10 1.423 12.495 6.056 1.00 0.00 C ATOM 145 O LEU A 10 0.950 13.261 6.894 1.00 0.00 O ATOM 146 CB LEU A 10 2.585 14.290 4.767 1.00 0.00 C ATOM 147 CG LEU A 10 3.546 14.585 3.604 1.00 0.00 C ATOM 148 CD1 LEU A 10 2.781 15.086 2.391 1.00 0.00 C ATOM 149 CD2 LEU A 10 4.589 15.605 4.028 1.00 0.00 C ATOM 0 H LEU A 10 0.588 14.171 3.437 1.00 0.00 H new ATOM 0 HA LEU A 10 2.395 12.211 4.199 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.881 15.118 4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.161 14.267 5.692 1.00 0.00 H new ATOM 0 HG LEU A 10 4.052 13.659 3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.479 15.289 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.066 14.328 2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.249 16.001 2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.263 15.804 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.094 16.530 4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.160 15.213 4.870 1.00 0.00 H new ATOM 161 N GLY A 11 1.631 11.197 6.284 1.00 0.00 N ATOM 162 CA GLY A 11 1.353 10.599 7.577 1.00 0.00 C ATOM 163 C GLY A 11 -0.118 10.586 7.898 1.00 0.00 C ATOM 164 O GLY A 11 -0.511 10.625 9.068 1.00 0.00 O ATOM 0 H GLY A 11 1.991 10.546 5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.735 9.578 7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.886 11.150 8.352 1.00 0.00 H new ATOM 168 N GLY A 12 -0.923 10.512 6.855 1.00 0.00 N ATOM 169 CA GLY A 12 -2.355 10.504 7.024 1.00 0.00 C ATOM 170 C GLY A 12 -2.889 9.124 7.317 1.00 0.00 C ATOM 171 O GLY A 12 -2.339 8.122 6.852 1.00 0.00 O ATOM 0 H GLY A 12 -0.607 10.457 5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.626 11.177 7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.827 10.890 6.121 1.00 0.00 H new ATOM 175 N ARG A 13 -3.942 9.067 8.107 1.00 0.00 N ATOM 176 CA ARG A 13 -4.564 7.803 8.449 1.00 0.00 C ATOM 177 C ARG A 13 -5.613 7.487 7.406 1.00 0.00 C ATOM 178 O ARG A 13 -6.628 8.175 7.306 1.00 0.00 O ATOM 179 CB ARG A 13 -5.189 7.856 9.844 1.00 0.00 C ATOM 180 CG ARG A 13 -4.295 7.277 10.929 1.00 0.00 C ATOM 181 CD ARG A 13 -3.045 8.119 11.135 1.00 0.00 C ATOM 182 NE ARG A 13 -2.190 7.587 12.194 1.00 0.00 N ATOM 183 CZ ARG A 13 -1.233 8.287 12.797 1.00 0.00 C ATOM 184 NH1 ARG A 13 -0.993 9.542 12.438 1.00 0.00 N ATOM 185 NH2 ARG A 13 -0.511 7.729 13.761 1.00 0.00 N ATOM 0 H ARG A 13 -4.387 9.884 8.526 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.807 7.019 8.464 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.422 8.892 10.090 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.133 7.311 9.832 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.851 7.216 11.865 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.009 6.260 10.661 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.481 8.164 10.203 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.334 9.141 11.382 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.336 6.621 12.488 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.544 9.974 11.696 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.258 10.074 12.904 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.690 6.764 14.039 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.223 8.265 14.224 1.00 0.00 H new ATOM 199 N CYS A 14 -5.366 6.459 6.626 1.00 0.00 N ATOM 200 CA CYS A 14 -6.282 6.097 5.568 1.00 0.00 C ATOM 201 C CYS A 14 -6.656 4.631 5.618 1.00 0.00 C ATOM 202 O CYS A 14 -6.041 3.834 6.330 1.00 0.00 O ATOM 203 CB CYS A 14 -5.631 6.396 4.223 1.00 0.00 C ATOM 204 SG CYS A 14 -4.135 5.423 3.934 1.00 0.00 S ATOM 0 H CYS A 14 -4.543 5.861 6.703 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.193 6.681 5.700 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.347 6.197 3.426 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.384 7.456 4.172 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.622 5.067 5.074 1.00 0.00 H new ATOM 210 N LEU A 15 -7.674 4.297 4.857 1.00 0.00 N ATOM 211 CA LEU A 15 -8.132 2.935 4.729 1.00 0.00 C ATOM 212 C LEU A 15 -7.823 2.509 3.313 1.00 0.00 C ATOM 213 O LEU A 15 -8.039 3.276 2.392 1.00 0.00 O ATOM 214 CB LEU A 15 -9.635 2.825 5.003 1.00 0.00 C ATOM 215 CG LEU A 15 -10.037 2.785 6.479 1.00 0.00 C ATOM 216 CD1 LEU A 15 -11.551 2.815 6.615 1.00 0.00 C ATOM 217 CD2 LEU A 15 -9.465 1.549 7.158 1.00 0.00 C ATOM 0 H LEU A 15 -8.210 4.968 4.307 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.633 2.294 5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.135 3.671 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.009 1.923 4.518 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.626 3.666 6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.822 2.786 7.670 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.939 3.729 6.166 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.979 1.951 6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.762 1.539 8.207 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.845 0.654 6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.377 1.567 7.089 1.00 0.00 H new ATOM 229 N ALA A 16 -7.315 1.321 3.121 1.00 0.00 N ATOM 230 CA ALA A 16 -6.983 0.884 1.779 1.00 0.00 C ATOM 231 C ALA A 16 -7.642 -0.451 1.520 1.00 0.00 C ATOM 232 O ALA A 16 -7.724 -1.289 2.419 1.00 0.00 O ATOM 233 CB ALA A 16 -5.468 0.840 1.580 1.00 0.00 C ATOM 0 H ALA A 16 -7.122 0.644 3.859 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.364 1.598 1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.244 0.509 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.051 1.835 1.738 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.027 0.144 2.294 1.00 0.00 H new ATOM 239 N PHE A 17 -8.144 -0.636 0.312 1.00 0.00 N ATOM 240 CA PHE A 17 -8.835 -1.861 -0.025 1.00 0.00 C ATOM 241 C PHE A 17 -7.867 -2.973 -0.376 1.00 0.00 C ATOM 242 O PHE A 17 -7.317 -3.021 -1.476 1.00 0.00 O ATOM 243 CB PHE A 17 -9.821 -1.642 -1.176 1.00 0.00 C ATOM 244 CG PHE A 17 -11.224 -1.347 -0.715 1.00 0.00 C ATOM 245 CD1 PHE A 17 -11.936 -2.290 0.011 1.00 0.00 C ATOM 246 CD2 PHE A 17 -11.829 -0.138 -1.010 1.00 0.00 C ATOM 247 CE1 PHE A 17 -13.223 -2.034 0.436 1.00 0.00 C ATOM 248 CE2 PHE A 17 -13.123 0.124 -0.585 1.00 0.00 C ATOM 249 CZ PHE A 17 -13.818 -0.827 0.138 1.00 0.00 C ATOM 0 H PHE A 17 -8.085 0.044 -0.446 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.393 -2.164 0.861 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.469 -0.816 -1.794 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.833 -2.530 -1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.476 -3.238 0.247 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.289 0.607 -1.576 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.764 -2.778 1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.587 1.071 -0.819 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.826 -0.625 0.469 1.00 0.00 H new ATOM 259 N HIS A 18 -7.668 -3.852 0.582 1.00 0.00 N ATOM 260 CA HIS A 18 -6.829 -5.011 0.402 1.00 0.00 C ATOM 261 C HIS A 18 -7.766 -6.168 0.131 1.00 0.00 C ATOM 262 O HIS A 18 -8.363 -6.739 1.056 1.00 0.00 O ATOM 263 CB HIS A 18 -5.973 -5.275 1.645 1.00 0.00 C ATOM 264 CG HIS A 18 -4.672 -5.959 1.349 1.00 0.00 C ATOM 265 ND1 HIS A 18 -3.531 -5.244 1.060 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.385 -7.284 1.311 1.00 0.00 C ATOM 267 CE1 HIS A 18 -2.583 -6.143 0.849 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.056 -7.389 0.990 1.00 0.00 N ATOM 0 H HIS A 18 -8.086 -3.780 1.510 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.130 -4.866 -0.422 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.769 -4.327 2.143 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.543 -5.886 2.344 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.070 -8.098 1.497 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.561 -5.904 0.596 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.526 -8.254 0.879 1.00 0.00 H new ATOM 276 N GLY A 19 -7.942 -6.469 -1.142 1.00 0.00 N ATOM 277 CA GLY A 19 -8.864 -7.504 -1.527 1.00 0.00 C ATOM 278 C GLY A 19 -10.279 -6.987 -1.405 1.00 0.00 C ATOM 279 O GLY A 19 -10.660 -6.068 -2.126 1.00 0.00 O ATOM 0 H GLY A 19 -7.460 -6.012 -1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.667 -7.819 -2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.729 -8.380 -0.893 1.00 0.00 H new ATOM 283 N PRO A 20 -11.083 -7.550 -0.501 1.00 0.00 N ATOM 284 CA PRO A 20 -12.447 -7.112 -0.286 1.00 0.00 C ATOM 285 C PRO A 20 -12.624 -6.201 0.928 1.00 0.00 C ATOM 286 O PRO A 20 -13.723 -5.696 1.158 1.00 0.00 O ATOM 287 CB PRO A 20 -13.175 -8.430 -0.023 1.00 0.00 C ATOM 288 CG PRO A 20 -12.115 -9.416 0.409 1.00 0.00 C ATOM 289 CD PRO A 20 -10.778 -8.715 0.326 1.00 0.00 C ATOM 0 HA PRO A 20 -12.808 -6.525 -1.131 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.933 -8.309 0.751 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.688 -8.777 -0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.304 -9.761 1.426 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.126 -10.296 -0.233 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.408 -8.428 1.310 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.016 -9.347 -0.129 1.00 0.00 H new ATOM 297 N LEU A 21 -11.563 -5.960 1.698 1.00 0.00 N ATOM 298 CA LEU A 21 -11.726 -5.157 2.904 1.00 0.00 C ATOM 299 C LEU A 21 -10.814 -3.949 2.989 1.00 0.00 C ATOM 300 O LEU A 21 -9.818 -3.834 2.284 1.00 0.00 O ATOM 301 CB LEU A 21 -11.538 -6.020 4.148 1.00 0.00 C ATOM 302 CG LEU A 21 -12.740 -6.890 4.502 1.00 0.00 C ATOM 303 CD1 LEU A 21 -12.654 -7.379 5.932 1.00 0.00 C ATOM 304 CD2 LEU A 21 -14.024 -6.117 4.305 1.00 0.00 C ATOM 0 H LEU A 21 -10.617 -6.295 1.517 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.743 -4.769 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.671 -6.663 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.313 -5.371 4.994 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.735 -7.755 3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.523 -7.997 6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.746 -7.969 6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.631 -6.524 6.608 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.873 -6.751 4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -14.021 -5.237 4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -14.105 -5.806 3.264 1.00 0.00 H new ATOM 316 N MET A 22 -11.198 -3.059 3.896 1.00 0.00 N ATOM 317 CA MET A 22 -10.488 -1.828 4.174 1.00 0.00 C ATOM 318 C MET A 22 -9.535 -2.029 5.345 1.00 0.00 C ATOM 319 O MET A 22 -9.959 -2.366 6.452 1.00 0.00 O ATOM 320 CB MET A 22 -11.493 -0.712 4.503 1.00 0.00 C ATOM 321 CG MET A 22 -11.693 0.264 3.351 1.00 0.00 C ATOM 322 SD MET A 22 -12.941 1.518 3.691 1.00 0.00 S ATOM 323 CE MET A 22 -14.428 0.517 3.701 1.00 0.00 C ATOM 0 H MET A 22 -12.033 -3.181 4.470 1.00 0.00 H new ATOM 0 HA MET A 22 -9.911 -1.543 3.294 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.452 -1.159 4.764 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.147 -0.165 5.380 1.00 0.00 H new ATOM 0 HG2 MET A 22 -10.745 0.755 3.130 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.980 -0.292 2.458 1.00 0.00 H new ATOM 0 HE1 MET A 22 -15.290 1.144 3.472 1.00 0.00 H new ATOM 0 HE2 MET A 22 -14.342 -0.270 2.952 1.00 0.00 H new ATOM 0 HE3 MET A 22 -14.557 0.068 4.686 1.00 0.00 H new ATOM 333 N TYR A 23 -8.256 -1.839 5.102 1.00 0.00 N ATOM 334 CA TYR A 23 -7.256 -2.001 6.145 1.00 0.00 C ATOM 335 C TYR A 23 -6.663 -0.650 6.510 1.00 0.00 C ATOM 336 O TYR A 23 -6.504 0.212 5.645 1.00 0.00 O ATOM 337 CB TYR A 23 -6.144 -2.951 5.697 1.00 0.00 C ATOM 338 CG TYR A 23 -6.564 -4.405 5.620 1.00 0.00 C ATOM 339 CD1 TYR A 23 -7.424 -4.856 4.626 1.00 0.00 C ATOM 340 CD2 TYR A 23 -6.095 -5.327 6.548 1.00 0.00 C ATOM 341 CE1 TYR A 23 -7.806 -6.183 4.562 1.00 0.00 C ATOM 342 CE2 TYR A 23 -6.472 -6.656 6.488 1.00 0.00 C ATOM 343 CZ TYR A 23 -7.326 -7.077 5.495 1.00 0.00 C ATOM 344 OH TYR A 23 -7.708 -8.398 5.435 1.00 0.00 O ATOM 0 H TYR A 23 -7.880 -1.572 4.192 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.744 -2.432 7.020 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.785 -2.636 4.717 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.305 -2.863 6.388 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.800 -4.159 3.892 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.425 -5.000 7.329 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.477 -6.518 3.785 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.098 -7.360 7.217 1.00 0.00 H new ATOM 0 HH TYR A 23 -7.281 -8.895 6.163 1.00 0.00 H new ATOM 354 N GLU A 24 -6.360 -0.459 7.786 1.00 0.00 N ATOM 355 CA GLU A 24 -5.779 0.791 8.253 1.00 0.00 C ATOM 356 C GLU A 24 -4.354 0.915 7.748 1.00 0.00 C ATOM 357 O GLU A 24 -3.547 0.003 7.914 1.00 0.00 O ATOM 358 CB GLU A 24 -5.793 0.861 9.780 1.00 0.00 C ATOM 359 CG GLU A 24 -7.120 0.463 10.393 1.00 0.00 C ATOM 360 CD GLU A 24 -7.150 -0.987 10.828 1.00 0.00 C ATOM 361 OE1 GLU A 24 -7.398 -1.866 9.973 1.00 0.00 O ATOM 362 OE2 GLU A 24 -6.950 -1.252 12.029 1.00 0.00 O ATOM 0 H GLU A 24 -6.507 -1.155 8.517 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.377 1.615 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.011 0.211 10.172 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.549 1.877 10.091 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.324 1.101 11.253 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.917 0.638 9.670 1.00 0.00 H new ATOM 369 N ALA A 25 -4.048 2.036 7.133 1.00 0.00 N ATOM 370 CA ALA A 25 -2.722 2.251 6.600 1.00 0.00 C ATOM 371 C ALA A 25 -2.214 3.649 6.895 1.00 0.00 C ATOM 372 O ALA A 25 -2.983 4.609 6.954 1.00 0.00 O ATOM 373 CB ALA A 25 -2.719 1.996 5.108 1.00 0.00 C ATOM 0 H ALA A 25 -4.697 2.810 6.990 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.048 1.549 7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.716 2.160 4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.022 0.967 4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.417 2.677 4.621 1.00 0.00 H new ATOM 379 N LYS A 26 -0.911 3.741 7.090 1.00 0.00 N ATOM 380 CA LYS A 26 -0.256 5.006 7.363 1.00 0.00 C ATOM 381 C LYS A 26 0.539 5.428 6.137 1.00 0.00 C ATOM 382 O LYS A 26 1.513 4.768 5.765 1.00 0.00 O ATOM 383 CB LYS A 26 0.665 4.864 8.578 1.00 0.00 C ATOM 384 CG LYS A 26 1.460 6.117 8.911 1.00 0.00 C ATOM 385 CD LYS A 26 2.482 5.836 9.996 1.00 0.00 C ATOM 386 CE LYS A 26 3.425 7.007 10.200 1.00 0.00 C ATOM 387 NZ LYS A 26 4.492 6.685 11.182 1.00 0.00 N ATOM 0 H LYS A 26 -0.278 2.941 7.063 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.002 5.769 7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.064 4.588 9.445 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.360 4.044 8.398 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.964 6.481 8.016 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.783 6.906 9.239 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.968 5.617 10.932 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.057 4.948 9.732 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.877 7.281 9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.861 7.873 10.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.388 7.113 10.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.231 7.063 12.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.605 5.653 11.246 1.00 0.00 H new ATOM 401 N ILE A 27 0.099 6.498 5.496 1.00 0.00 N ATOM 402 CA ILE A 27 0.768 6.997 4.304 1.00 0.00 C ATOM 403 C ILE A 27 2.106 7.606 4.647 1.00 0.00 C ATOM 404 O ILE A 27 2.206 8.578 5.393 1.00 0.00 O ATOM 405 CB ILE A 27 -0.103 8.014 3.538 1.00 0.00 C ATOM 406 CG1 ILE A 27 -1.478 7.416 3.245 1.00 0.00 C ATOM 407 CG2 ILE A 27 0.577 8.421 2.245 1.00 0.00 C ATOM 408 CD1 ILE A 27 -2.570 8.448 3.056 1.00 0.00 C ATOM 0 H ILE A 27 -0.718 7.038 5.780 1.00 0.00 H new ATOM 0 HA ILE A 27 0.932 6.141 3.650 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.231 8.901 4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.412 6.803 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.757 6.753 4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.049 9.139 1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.542 8.877 2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.728 7.541 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.515 7.945 2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.666 9.046 3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.316 9.097 2.218 1.00 0.00 H new ATOM 420 N LEU A 28 3.126 7.004 4.078 1.00 0.00 N ATOM 421 CA LEU A 28 4.486 7.414 4.290 1.00 0.00 C ATOM 422 C LEU A 28 5.005 8.211 3.098 1.00 0.00 C ATOM 423 O LEU A 28 5.888 9.059 3.239 1.00 0.00 O ATOM 424 CB LEU A 28 5.331 6.170 4.496 1.00 0.00 C ATOM 425 CG LEU A 28 6.756 6.440 4.927 1.00 0.00 C ATOM 426 CD1 LEU A 28 6.783 7.026 6.332 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.586 5.170 4.846 1.00 0.00 C ATOM 0 H LEU A 28 3.028 6.207 3.449 1.00 0.00 H new ATOM 0 HA LEU A 28 4.541 8.058 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.851 5.541 5.246 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.348 5.601 3.567 1.00 0.00 H new ATOM 0 HG LEU A 28 7.195 7.171 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.815 7.215 6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.224 7.962 6.347 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.329 6.321 7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.608 5.383 5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.156 4.412 5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.590 4.803 3.820 1.00 0.00 H new ATOM 439 N LYS A 29 4.464 7.922 1.919 1.00 0.00 N ATOM 440 CA LYS A 29 4.870 8.616 0.704 1.00 0.00 C ATOM 441 C LYS A 29 3.665 8.935 -0.168 1.00 0.00 C ATOM 442 O LYS A 29 2.800 8.093 -0.377 1.00 0.00 O ATOM 443 CB LYS A 29 5.858 7.779 -0.117 1.00 0.00 C ATOM 444 CG LYS A 29 7.035 7.235 0.674 1.00 0.00 C ATOM 445 CD LYS A 29 7.929 6.356 -0.188 1.00 0.00 C ATOM 446 CE LYS A 29 9.144 5.872 0.580 1.00 0.00 C ATOM 447 NZ LYS A 29 10.102 5.143 -0.297 1.00 0.00 N ATOM 0 H LYS A 29 3.744 7.213 1.780 1.00 0.00 H new ATOM 0 HA LYS A 29 5.355 9.541 1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.321 6.943 -0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.238 8.390 -0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.618 8.063 1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.668 6.660 1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.360 5.499 -0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.252 6.915 -1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.647 6.724 1.038 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.824 5.218 1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.095 4.132 -0.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.822 5.261 -1.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.059 5.526 -0.159 1.00 0.00 H new ATOM 461 N ILE A 30 3.611 10.156 -0.652 1.00 0.00 N ATOM 462 CA ILE A 30 2.535 10.594 -1.545 1.00 0.00 C ATOM 463 C ILE A 30 3.088 10.629 -2.956 1.00 0.00 C ATOM 464 O ILE A 30 4.218 11.035 -3.147 1.00 0.00 O ATOM 465 CB ILE A 30 1.975 11.984 -1.150 1.00 0.00 C ATOM 466 CG1 ILE A 30 1.100 11.891 0.099 1.00 0.00 C ATOM 467 CG2 ILE A 30 1.163 12.573 -2.286 1.00 0.00 C ATOM 468 CD1 ILE A 30 1.836 11.475 1.346 1.00 0.00 C ATOM 0 H ILE A 30 4.302 10.877 -0.446 1.00 0.00 H new ATOM 0 HA ILE A 30 1.703 9.894 -1.470 1.00 0.00 H new ATOM 0 HB ILE A 30 2.825 12.632 -0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.633 12.860 0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.296 11.179 -0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.778 13.549 -1.990 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.796 12.684 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.330 11.910 -2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.139 11.435 2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.280 10.491 1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.622 12.198 1.563 1.00 0.00 H new ATOM 480 N TRP A 31 2.312 10.233 -3.947 1.00 0.00 N ATOM 481 CA TRP A 31 2.831 10.172 -5.296 1.00 0.00 C ATOM 482 C TRP A 31 2.103 11.082 -6.272 1.00 0.00 C ATOM 483 O TRP A 31 0.874 11.085 -6.325 1.00 0.00 O ATOM 484 CB TRP A 31 2.713 8.750 -5.783 1.00 0.00 C ATOM 485 CG TRP A 31 3.078 8.589 -7.208 1.00 0.00 C ATOM 486 CD1 TRP A 31 2.251 8.607 -8.283 1.00 0.00 C ATOM 487 CD2 TRP A 31 4.378 8.394 -7.699 1.00 0.00 C ATOM 488 NE1 TRP A 31 2.970 8.394 -9.431 1.00 0.00 N ATOM 489 CE2 TRP A 31 4.286 8.258 -9.090 1.00 0.00 C ATOM 490 CE3 TRP A 31 5.614 8.300 -7.079 1.00 0.00 C ATOM 491 CZ2 TRP A 31 5.395 8.034 -9.878 1.00 0.00 C ATOM 492 CZ3 TRP A 31 6.716 8.085 -7.861 1.00 0.00 C ATOM 493 CH2 TRP A 31 6.600 7.946 -9.246 1.00 0.00 C ATOM 0 H TRP A 31 1.336 9.953 -3.845 1.00 0.00 H new ATOM 0 HA TRP A 31 3.865 10.513 -5.259 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.354 8.111 -5.176 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.689 8.406 -5.636 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.184 8.766 -8.241 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.589 8.345 -10.376 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.705 8.394 -6.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.313 7.933 -10.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.691 8.022 -7.400 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.489 7.764 -9.832 1.00 0.00 H new ATOM 504 N ASP A 32 2.879 11.785 -7.094 1.00 0.00 N ATOM 505 CA ASP A 32 2.328 12.672 -8.109 1.00 0.00 C ATOM 506 C ASP A 32 2.718 12.166 -9.500 1.00 0.00 C ATOM 507 O ASP A 32 3.893 12.202 -9.878 1.00 0.00 O ATOM 508 CB ASP A 32 2.830 14.102 -7.915 1.00 0.00 C ATOM 509 CG ASP A 32 2.287 15.040 -8.969 1.00 0.00 C ATOM 510 OD1 ASP A 32 1.095 15.406 -8.888 1.00 0.00 O ATOM 511 OD2 ASP A 32 3.042 15.406 -9.892 1.00 0.00 O ATOM 0 H ASP A 32 3.898 11.755 -7.074 1.00 0.00 H new ATOM 0 HA ASP A 32 1.242 12.676 -8.013 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.538 14.458 -6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.919 14.111 -7.948 1.00 0.00 H new ATOM 516 N PRO A 33 1.732 11.705 -10.287 1.00 0.00 N ATOM 517 CA PRO A 33 1.961 11.148 -11.635 1.00 0.00 C ATOM 518 C PRO A 33 2.357 12.185 -12.685 1.00 0.00 C ATOM 519 O PRO A 33 2.536 11.855 -13.855 1.00 0.00 O ATOM 520 CB PRO A 33 0.603 10.555 -12.002 1.00 0.00 C ATOM 521 CG PRO A 33 -0.384 11.338 -11.211 1.00 0.00 C ATOM 522 CD PRO A 33 0.301 11.691 -9.924 1.00 0.00 C ATOM 0 HA PRO A 33 2.792 10.442 -11.620 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.410 10.642 -13.071 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.555 9.495 -11.755 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.690 12.235 -11.748 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.286 10.754 -11.025 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.027 12.660 -9.548 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.092 10.959 -9.144 1.00 0.00 H new ATOM 530 N SER A 34 2.492 13.423 -12.267 1.00 0.00 N ATOM 531 CA SER A 34 2.844 14.501 -13.182 1.00 0.00 C ATOM 532 C SER A 34 4.348 14.743 -13.180 1.00 0.00 C ATOM 533 O SER A 34 4.903 15.318 -14.120 1.00 0.00 O ATOM 534 CB SER A 34 2.097 15.776 -12.798 1.00 0.00 C ATOM 535 OG SER A 34 1.074 15.495 -11.857 1.00 0.00 O ATOM 0 H SER A 34 2.364 13.716 -11.298 1.00 0.00 H new ATOM 0 HA SER A 34 2.550 14.210 -14.191 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.795 16.500 -12.378 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.664 16.231 -13.688 1.00 0.00 H new ATOM 0 HG SER A 34 0.608 16.325 -11.622 1.00 0.00 H new ATOM 541 N SER A 35 5.007 14.281 -12.130 1.00 0.00 N ATOM 542 CA SER A 35 6.441 14.454 -11.996 1.00 0.00 C ATOM 543 C SER A 35 7.116 13.093 -11.948 1.00 0.00 C ATOM 544 O SER A 35 8.260 12.934 -12.380 1.00 0.00 O ATOM 545 CB SER A 35 6.753 15.249 -10.728 1.00 0.00 C ATOM 546 OG SER A 35 5.714 16.173 -10.424 1.00 0.00 O ATOM 0 H SER A 35 4.568 13.782 -11.356 1.00 0.00 H new ATOM 0 HA SER A 35 6.821 15.007 -12.855 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.888 14.564 -9.891 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.693 15.786 -10.856 1.00 0.00 H new ATOM 0 HG SER A 35 4.919 15.684 -10.123 1.00 0.00 H new ATOM 552 N LYS A 36 6.393 12.132 -11.377 1.00 0.00 N ATOM 553 CA LYS A 36 6.848 10.762 -11.250 1.00 0.00 C ATOM 554 C LYS A 36 7.828 10.689 -10.114 1.00 0.00 C ATOM 555 O LYS A 36 8.802 9.940 -10.107 1.00 0.00 O ATOM 556 CB LYS A 36 7.431 10.202 -12.534 1.00 0.00 C ATOM 557 CG LYS A 36 7.405 8.695 -12.531 1.00 0.00 C ATOM 558 CD LYS A 36 7.852 8.116 -13.862 1.00 0.00 C ATOM 559 CE LYS A 36 6.959 8.593 -14.996 1.00 0.00 C ATOM 560 NZ LYS A 36 7.405 8.080 -16.316 1.00 0.00 N ATOM 0 H LYS A 36 5.464 12.292 -10.987 1.00 0.00 H new ATOM 0 HA LYS A 36 5.985 10.132 -11.038 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.866 10.577 -13.387 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.457 10.551 -12.653 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.053 8.323 -11.738 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.396 8.350 -12.306 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.883 8.407 -14.060 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.832 7.027 -13.813 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.935 8.270 -14.810 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.951 9.683 -15.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.767 8.431 -17.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.373 8.409 -16.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.388 7.040 -16.308 1.00 0.00 H new ATOM 574 N MET A 37 7.522 11.512 -9.159 1.00 0.00 N ATOM 575 CA MET A 37 8.233 11.637 -7.953 1.00 0.00 C ATOM 576 C MET A 37 7.193 11.505 -6.870 1.00 0.00 C ATOM 577 O MET A 37 5.993 11.573 -7.149 1.00 0.00 O ATOM 578 CB MET A 37 8.953 12.990 -7.901 1.00 0.00 C ATOM 579 CG MET A 37 9.842 13.226 -9.115 1.00 0.00 C ATOM 580 SD MET A 37 11.010 14.583 -8.905 1.00 0.00 S ATOM 581 CE MET A 37 9.915 15.995 -9.005 1.00 0.00 C ATOM 0 H MET A 37 6.723 12.143 -9.217 1.00 0.00 H new ATOM 0 HA MET A 37 9.011 10.881 -7.840 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.214 13.789 -7.835 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.559 13.041 -6.996 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.395 12.312 -9.332 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.213 13.431 -9.981 1.00 0.00 H new ATOM 0 HE1 MET A 37 10.159 16.702 -8.212 1.00 0.00 H new ATOM 0 HE2 MET A 37 10.035 16.481 -9.973 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.883 15.664 -8.891 1.00 0.00 H new ATOM 591 N TYR A 38 7.621 11.335 -5.665 1.00 0.00 N ATOM 592 CA TYR A 38 6.717 11.147 -4.578 1.00 0.00 C ATOM 593 C TYR A 38 7.241 11.937 -3.400 1.00 0.00 C ATOM 594 O TYR A 38 8.387 12.394 -3.424 1.00 0.00 O ATOM 595 CB TYR A 38 6.608 9.662 -4.231 1.00 0.00 C ATOM 596 CG TYR A 38 7.921 9.010 -3.875 1.00 0.00 C ATOM 597 CD1 TYR A 38 8.687 8.365 -4.835 1.00 0.00 C ATOM 598 CD2 TYR A 38 8.386 9.035 -2.574 1.00 0.00 C ATOM 599 CE1 TYR A 38 9.884 7.760 -4.499 1.00 0.00 C ATOM 600 CE2 TYR A 38 9.579 8.438 -2.228 1.00 0.00 C ATOM 601 CZ TYR A 38 10.324 7.798 -3.192 1.00 0.00 C ATOM 602 OH TYR A 38 11.511 7.190 -2.844 1.00 0.00 O ATOM 0 H TYR A 38 8.607 11.322 -5.404 1.00 0.00 H new ATOM 0 HA TYR A 38 5.719 11.495 -4.846 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.919 9.546 -3.394 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.171 9.134 -5.079 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.344 8.335 -5.859 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.803 9.532 -1.813 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.471 7.261 -5.255 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.927 8.472 -1.206 1.00 0.00 H new ATOM 0 HH TYR A 38 11.650 6.398 -3.405 1.00 0.00 H new ATOM 612 N THR A 39 6.439 12.111 -2.383 1.00 0.00 N ATOM 613 CA THR A 39 6.884 12.842 -1.228 1.00 0.00 C ATOM 614 C THR A 39 6.775 11.983 0.020 1.00 0.00 C ATOM 615 O THR A 39 5.678 11.655 0.481 1.00 0.00 O ATOM 616 CB THR A 39 6.125 14.163 -1.056 1.00 0.00 C ATOM 617 OG1 THR A 39 4.767 13.930 -0.653 1.00 0.00 O ATOM 618 CG2 THR A 39 6.141 14.971 -2.344 1.00 0.00 C ATOM 0 H THR A 39 5.483 11.760 -2.331 1.00 0.00 H new ATOM 0 HA THR A 39 7.932 13.096 -1.384 1.00 0.00 H new ATOM 0 HB THR A 39 6.632 14.730 -0.275 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.721 13.111 -0.116 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.596 15.903 -2.195 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.171 15.193 -2.621 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.667 14.396 -3.140 1.00 0.00 H new ATOM 626 N SER A 40 7.926 11.610 0.540 1.00 0.00 N ATOM 627 CA SER A 40 8.007 10.784 1.726 1.00 0.00 C ATOM 628 C SER A 40 8.087 11.672 2.957 1.00 0.00 C ATOM 629 O SER A 40 8.245 12.885 2.847 1.00 0.00 O ATOM 630 CB SER A 40 9.243 9.877 1.640 1.00 0.00 C ATOM 631 OG SER A 40 9.170 8.799 2.559 1.00 0.00 O ATOM 0 H SER A 40 8.832 11.871 0.152 1.00 0.00 H new ATOM 0 HA SER A 40 7.118 10.158 1.799 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.337 9.485 0.627 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.139 10.464 1.839 1.00 0.00 H new ATOM 0 HG SER A 40 10.033 8.337 2.590 1.00 0.00 H new ATOM 637 N ILE A 41 7.950 11.078 4.122 1.00 0.00 N ATOM 638 CA ILE A 41 8.026 11.834 5.364 1.00 0.00 C ATOM 639 C ILE A 41 8.932 11.125 6.359 1.00 0.00 C ATOM 640 O ILE A 41 8.783 9.924 6.594 1.00 0.00 O ATOM 641 CB ILE A 41 6.637 12.027 6.011 1.00 0.00 C ATOM 642 CG1 ILE A 41 5.537 12.011 4.957 1.00 0.00 C ATOM 643 CG2 ILE A 41 6.597 13.326 6.798 1.00 0.00 C ATOM 644 CD1 ILE A 41 4.503 10.946 5.206 1.00 0.00 C ATOM 0 H ILE A 41 7.786 10.078 4.241 1.00 0.00 H new ATOM 0 HA ILE A 41 8.431 12.814 5.113 1.00 0.00 H new ATOM 0 HB ILE A 41 6.463 11.197 6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.049 12.985 4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.984 11.854 3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.612 13.448 7.248 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.354 13.300 7.582 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.797 14.163 6.129 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.746 10.984 4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.981 9.966 5.201 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.032 11.115 6.174 1.00 0.00 H new ATOM 656 N PRO A 42 9.901 11.846 6.939 1.00 0.00 N ATOM 657 CA PRO A 42 10.824 11.276 7.911 1.00 0.00 C ATOM 658 C PRO A 42 10.230 11.215 9.319 1.00 0.00 C ATOM 659 O PRO A 42 9.979 12.242 9.958 1.00 0.00 O ATOM 660 CB PRO A 42 12.005 12.244 7.863 1.00 0.00 C ATOM 661 CG PRO A 42 11.409 13.563 7.490 1.00 0.00 C ATOM 662 CD PRO A 42 10.177 13.271 6.676 1.00 0.00 C ATOM 0 HA PRO A 42 11.085 10.244 7.678 1.00 0.00 H new ATOM 0 HB2 PRO A 42 12.511 12.298 8.827 1.00 0.00 H new ATOM 0 HB3 PRO A 42 12.747 11.925 7.131 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.156 14.138 8.381 1.00 0.00 H new ATOM 0 HG3 PRO A 42 12.119 14.159 6.916 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.341 13.901 6.978 1.00 0.00 H new ATOM 0 HD3 PRO A 42 10.347 13.455 5.615 1.00 0.00 H new ATOM 670 N ASN A 43 10.019 9.993 9.796 1.00 0.00 N ATOM 671 CA ASN A 43 9.469 9.749 11.130 1.00 0.00 C ATOM 672 C ASN A 43 9.825 8.340 11.576 1.00 0.00 C ATOM 673 O ASN A 43 10.386 8.136 12.652 1.00 0.00 O ATOM 674 CB ASN A 43 7.936 9.935 11.178 1.00 0.00 C ATOM 675 CG ASN A 43 7.283 10.094 9.814 1.00 0.00 C ATOM 676 OD1 ASN A 43 7.073 11.210 9.341 1.00 0.00 O ATOM 677 ND2 ASN A 43 6.936 8.985 9.179 1.00 0.00 N ATOM 0 H ASN A 43 10.223 9.142 9.271 1.00 0.00 H new ATOM 0 HA ASN A 43 9.908 10.484 11.805 1.00 0.00 H new ATOM 0 HB2 ASN A 43 7.493 9.076 11.682 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.707 10.813 11.782 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.480 9.040 8.269 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.125 8.076 9.600 1.00 0.00 H new ATOM 684 N ASP A 44 9.497 7.373 10.735 1.00 0.00 N ATOM 685 CA ASP A 44 9.772 5.971 11.012 1.00 0.00 C ATOM 686 C ASP A 44 10.250 5.279 9.746 1.00 0.00 C ATOM 687 O ASP A 44 9.644 5.417 8.685 1.00 0.00 O ATOM 688 CB ASP A 44 8.537 5.250 11.591 1.00 0.00 C ATOM 689 CG ASP A 44 7.239 5.494 10.825 1.00 0.00 C ATOM 690 OD1 ASP A 44 6.384 4.581 10.794 1.00 0.00 O ATOM 691 OD2 ASP A 44 7.037 6.606 10.291 1.00 0.00 O ATOM 0 H ASP A 44 9.033 7.537 9.842 1.00 0.00 H new ATOM 0 HA ASP A 44 10.558 5.924 11.766 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.735 4.178 11.611 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.399 5.568 12.624 1.00 0.00 H new ATOM 696 N LYS A 45 11.363 4.567 9.858 1.00 0.00 N ATOM 697 CA LYS A 45 11.939 3.864 8.720 1.00 0.00 C ATOM 698 C LYS A 45 11.925 2.358 8.956 1.00 0.00 C ATOM 699 O LYS A 45 12.297 1.890 10.033 1.00 0.00 O ATOM 700 CB LYS A 45 13.373 4.344 8.466 1.00 0.00 C ATOM 701 CG LYS A 45 13.480 5.837 8.200 1.00 0.00 C ATOM 702 CD LYS A 45 14.577 6.480 9.035 1.00 0.00 C ATOM 703 CE LYS A 45 14.691 7.968 8.752 1.00 0.00 C ATOM 704 NZ LYS A 45 15.655 8.641 9.665 1.00 0.00 N ATOM 0 H LYS A 45 11.886 4.461 10.727 1.00 0.00 H new ATOM 0 HA LYS A 45 11.334 4.083 7.841 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.989 4.093 9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.783 3.802 7.614 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.682 6.005 7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.526 6.315 8.422 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.369 6.325 10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.529 5.994 8.823 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.007 8.117 7.719 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.710 8.432 8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.688 9.657 9.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.351 8.508 10.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.601 8.229 9.536 1.00 0.00 H new ATOM 718 N PRO A 46 11.490 1.581 7.947 1.00 0.00 N ATOM 719 CA PRO A 46 11.421 0.115 8.041 1.00 0.00 C ATOM 720 C PRO A 46 12.785 -0.535 8.249 1.00 0.00 C ATOM 721 O PRO A 46 12.933 -1.430 9.080 1.00 0.00 O ATOM 722 CB PRO A 46 10.822 -0.309 6.694 1.00 0.00 C ATOM 723 CG PRO A 46 11.068 0.841 5.782 1.00 0.00 C ATOM 724 CD PRO A 46 11.005 2.069 6.642 1.00 0.00 C ATOM 0 HA PRO A 46 10.832 -0.200 8.903 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.295 -1.217 6.320 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.756 -0.519 6.785 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.040 0.754 5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.319 0.879 4.991 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.633 2.869 6.251 1.00 0.00 H new ATOM 0 HD3 PRO A 46 9.991 2.464 6.709 1.00 0.00 H new ATOM 732 N GLY A 47 13.776 -0.081 7.498 1.00 0.00 N ATOM 733 CA GLY A 47 15.105 -0.642 7.621 1.00 0.00 C ATOM 734 C GLY A 47 15.996 -0.268 6.461 1.00 0.00 C ATOM 735 O GLY A 47 16.138 -1.030 5.507 1.00 0.00 O ATOM 0 H GLY A 47 13.685 0.664 6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.558 -0.296 8.550 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.034 -1.728 7.686 1.00 0.00 H new ATOM 739 N GLY A 48 16.578 0.918 6.534 1.00 0.00 N ATOM 740 CA GLY A 48 17.464 1.375 5.482 1.00 0.00 C ATOM 741 C GLY A 48 17.074 2.744 4.971 1.00 0.00 C ATOM 742 O GLY A 48 16.163 3.369 5.518 1.00 0.00 O ATOM 0 H GLY A 48 16.453 1.575 7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.487 1.405 5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.447 0.662 4.658 1.00 0.00 H new ATOM 746 N SER A 49 17.776 3.215 3.936 1.00 0.00 N ATOM 747 CA SER A 49 17.497 4.519 3.337 1.00 0.00 C ATOM 748 C SER A 49 17.613 5.630 4.380 1.00 0.00 C ATOM 749 O SER A 49 16.746 6.494 4.497 1.00 0.00 O ATOM 750 CB SER A 49 16.105 4.517 2.698 1.00 0.00 C ATOM 751 OG SER A 49 15.900 3.332 1.943 1.00 0.00 O ATOM 0 H SER A 49 18.544 2.709 3.496 1.00 0.00 H new ATOM 0 HA SER A 49 18.237 4.711 2.560 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.343 4.596 3.474 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.994 5.389 2.053 1.00 0.00 H new ATOM 0 HG SER A 49 15.005 3.349 1.544 1.00 0.00 H new ATOM 757 N SER A 50 18.707 5.605 5.128 1.00 0.00 N ATOM 758 CA SER A 50 18.949 6.586 6.171 1.00 0.00 C ATOM 759 C SER A 50 19.733 7.790 5.641 1.00 0.00 C ATOM 760 O SER A 50 20.526 8.399 6.361 1.00 0.00 O ATOM 761 CB SER A 50 19.699 5.916 7.323 1.00 0.00 C ATOM 762 OG SER A 50 19.204 4.601 7.547 1.00 0.00 O ATOM 0 H SER A 50 19.446 4.909 5.029 1.00 0.00 H new ATOM 0 HA SER A 50 17.990 6.962 6.528 1.00 0.00 H new ATOM 0 HB2 SER A 50 20.764 5.875 7.095 1.00 0.00 H new ATOM 0 HB3 SER A 50 19.589 6.511 8.230 1.00 0.00 H new ATOM 0 HG SER A 50 19.697 4.187 8.286 1.00 0.00 H new ATOM 768 N GLN A 51 19.513 8.126 4.375 1.00 0.00 N ATOM 769 CA GLN A 51 20.182 9.265 3.762 1.00 0.00 C ATOM 770 C GLN A 51 19.202 10.419 3.615 1.00 0.00 C ATOM 771 O GLN A 51 19.477 11.550 4.024 1.00 0.00 O ATOM 772 CB GLN A 51 20.748 8.908 2.383 1.00 0.00 C ATOM 773 CG GLN A 51 21.315 7.502 2.274 1.00 0.00 C ATOM 774 CD GLN A 51 20.315 6.528 1.694 1.00 0.00 C ATOM 775 OE1 GLN A 51 19.108 6.671 1.880 1.00 0.00 O ATOM 776 NE2 GLN A 51 20.812 5.534 0.983 1.00 0.00 N ATOM 0 H GLN A 51 18.877 7.626 3.754 1.00 0.00 H new ATOM 0 HA GLN A 51 21.009 9.554 4.410 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.959 9.026 1.640 1.00 0.00 H new ATOM 0 HB3 GLN A 51 21.532 9.622 2.131 1.00 0.00 H new ATOM 0 HG2 GLN A 51 22.208 7.519 1.649 1.00 0.00 H new ATOM 0 HG3 GLN A 51 21.624 7.159 3.261 1.00 0.00 H new ATOM 0 HE21 GLN A 51 21.821 5.454 0.854 1.00 0.00 H new ATOM 0 HE22 GLN A 51 20.188 4.846 0.562 1.00 0.00 H new ATOM 785 N ALA A 52 18.049 10.116 3.037 1.00 0.00 N ATOM 786 CA ALA A 52 17.013 11.112 2.820 1.00 0.00 C ATOM 787 C ALA A 52 16.058 11.164 4.002 1.00 0.00 C ATOM 788 O ALA A 52 15.148 10.343 4.114 1.00 0.00 O ATOM 789 CB ALA A 52 16.260 10.805 1.537 1.00 0.00 C ATOM 0 H ALA A 52 17.807 9.181 2.708 1.00 0.00 H new ATOM 0 HA ALA A 52 17.484 12.090 2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.485 11.556 1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.953 10.819 0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.800 9.819 1.612 1.00 0.00 H new ATOM 795 N THR A 53 16.275 12.121 4.886 1.00 0.00 N ATOM 796 CA THR A 53 15.431 12.271 6.056 1.00 0.00 C ATOM 797 C THR A 53 15.264 13.748 6.424 1.00 0.00 C ATOM 798 O THR A 53 14.643 14.089 7.431 1.00 0.00 O ATOM 799 CB THR A 53 16.010 11.486 7.256 1.00 0.00 C ATOM 800 OG1 THR A 53 14.985 11.213 8.214 1.00 0.00 O ATOM 801 CG2 THR A 53 17.135 12.256 7.931 1.00 0.00 C ATOM 0 H THR A 53 17.028 12.805 4.816 1.00 0.00 H new ATOM 0 HA THR A 53 14.450 11.862 5.813 1.00 0.00 H new ATOM 0 HB THR A 53 16.411 10.548 6.871 1.00 0.00 H new ATOM 0 HG1 THR A 53 15.223 11.621 9.073 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.520 11.677 8.770 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.937 12.432 7.214 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.756 13.211 8.293 1.00 0.00 H new ATOM 809 N LYS A 54 15.809 14.622 5.591 1.00 0.00 N ATOM 810 CA LYS A 54 15.727 16.052 5.831 1.00 0.00 C ATOM 811 C LYS A 54 15.066 16.752 4.656 1.00 0.00 C ATOM 812 O LYS A 54 15.618 16.776 3.552 1.00 0.00 O ATOM 813 CB LYS A 54 17.116 16.643 6.070 1.00 0.00 C ATOM 814 CG LYS A 54 17.653 16.406 7.474 1.00 0.00 C ATOM 815 CD LYS A 54 18.896 17.241 7.738 1.00 0.00 C ATOM 816 CE LYS A 54 20.078 16.768 6.905 1.00 0.00 C ATOM 817 NZ LYS A 54 21.208 17.733 6.949 1.00 0.00 N ATOM 0 H LYS A 54 16.313 14.364 4.743 1.00 0.00 H new ATOM 0 HA LYS A 54 15.122 16.209 6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 54 17.812 16.215 5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 54 17.081 17.716 5.881 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.884 16.653 8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 54 17.888 15.349 7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 54 18.687 18.287 7.512 1.00 0.00 H new ATOM 0 HD3 LYS A 54 19.152 17.188 8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 54 20.415 15.798 7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 54 19.761 16.627 5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 21.993 17.374 6.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 20.894 18.652 6.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 21.528 17.848 7.932 1.00 0.00 H new ATOM 831 N GLU A 55 13.887 17.305 4.911 1.00 0.00 N ATOM 832 CA GLU A 55 13.106 18.024 3.902 1.00 0.00 C ATOM 833 C GLU A 55 12.903 17.167 2.658 1.00 0.00 C ATOM 834 O GLU A 55 13.649 17.267 1.676 1.00 0.00 O ATOM 835 CB GLU A 55 13.769 19.362 3.547 1.00 0.00 C ATOM 836 CG GLU A 55 14.270 20.141 4.759 1.00 0.00 C ATOM 837 CD GLU A 55 13.168 20.488 5.744 1.00 0.00 C ATOM 838 OE1 GLU A 55 12.601 19.570 6.369 1.00 0.00 O ATOM 839 OE2 GLU A 55 12.874 21.690 5.912 1.00 0.00 O ATOM 0 H GLU A 55 13.440 17.269 5.827 1.00 0.00 H new ATOM 0 HA GLU A 55 12.124 18.238 4.325 1.00 0.00 H new ATOM 0 HB2 GLU A 55 14.607 19.175 2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 55 13.054 19.978 3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.033 19.554 5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.748 21.060 4.420 1.00 0.00 H new ATOM 846 N ILE A 56 11.889 16.325 2.707 1.00 0.00 N ATOM 847 CA ILE A 56 11.588 15.432 1.605 1.00 0.00 C ATOM 848 C ILE A 56 10.822 16.120 0.494 1.00 0.00 C ATOM 849 O ILE A 56 9.594 16.235 0.532 1.00 0.00 O ATOM 850 CB ILE A 56 10.800 14.204 2.061 1.00 0.00 C ATOM 851 CG1 ILE A 56 11.552 13.457 3.175 1.00 0.00 C ATOM 852 CG2 ILE A 56 10.552 13.286 0.872 1.00 0.00 C ATOM 853 CD1 ILE A 56 12.939 12.983 2.776 1.00 0.00 C ATOM 0 H ILE A 56 11.257 16.241 3.503 1.00 0.00 H new ATOM 0 HA ILE A 56 12.556 15.114 1.218 1.00 0.00 H new ATOM 0 HB ILE A 56 9.841 14.529 2.465 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.639 14.112 4.042 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.960 12.595 3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.990 12.411 1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.982 13.821 0.112 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.506 12.968 0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.403 12.466 3.616 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.861 12.301 1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.550 13.841 2.496 1.00 0.00 H new ATOM 865 N LYS A 57 11.571 16.600 -0.476 1.00 0.00 N ATOM 866 CA LYS A 57 10.999 17.215 -1.653 1.00 0.00 C ATOM 867 C LYS A 57 10.602 16.084 -2.598 1.00 0.00 C ATOM 868 O LYS A 57 11.059 14.951 -2.411 1.00 0.00 O ATOM 869 CB LYS A 57 12.016 18.151 -2.321 1.00 0.00 C ATOM 870 CG LYS A 57 11.999 19.574 -1.779 1.00 0.00 C ATOM 871 CD LYS A 57 12.797 19.698 -0.492 1.00 0.00 C ATOM 872 CE LYS A 57 12.974 21.153 -0.075 1.00 0.00 C ATOM 873 NZ LYS A 57 13.786 21.917 -1.058 1.00 0.00 N ATOM 0 H LYS A 57 12.591 16.575 -0.470 1.00 0.00 H new ATOM 0 HA LYS A 57 10.131 17.820 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.016 17.736 -2.192 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.819 18.179 -3.393 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.408 20.253 -2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.969 19.882 -1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.291 19.151 0.304 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.775 19.236 -0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.996 21.622 0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.454 21.195 0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.140 22.788 -0.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.590 21.336 -1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.197 22.162 -1.879 1.00 0.00 H new ATOM 887 N PRO A 58 9.738 16.345 -3.589 1.00 0.00 N ATOM 888 CA PRO A 58 9.303 15.322 -4.538 1.00 0.00 C ATOM 889 C PRO A 58 10.492 14.605 -5.174 1.00 0.00 C ATOM 890 O PRO A 58 11.238 15.192 -5.953 1.00 0.00 O ATOM 891 CB PRO A 58 8.505 16.110 -5.592 1.00 0.00 C ATOM 892 CG PRO A 58 8.829 17.545 -5.339 1.00 0.00 C ATOM 893 CD PRO A 58 9.124 17.645 -3.874 1.00 0.00 C ATOM 0 HA PRO A 58 8.714 14.538 -4.061 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.789 15.815 -6.602 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.435 15.925 -5.495 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.686 17.863 -5.933 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.994 18.189 -5.614 1.00 0.00 H new ATOM 0 HD2 PRO A 58 9.799 18.471 -3.651 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.220 17.805 -3.287 1.00 0.00 H new ATOM 901 N GLN A 59 10.689 13.349 -4.797 1.00 0.00 N ATOM 902 CA GLN A 59 11.789 12.555 -5.328 1.00 0.00 C ATOM 903 C GLN A 59 11.259 11.422 -6.196 1.00 0.00 C ATOM 904 O GLN A 59 10.282 10.770 -5.849 1.00 0.00 O ATOM 905 CB GLN A 59 12.661 12.022 -4.191 1.00 0.00 C ATOM 906 CG GLN A 59 13.535 13.097 -3.565 1.00 0.00 C ATOM 907 CD GLN A 59 14.032 12.723 -2.187 1.00 0.00 C ATOM 908 OE1 GLN A 59 13.239 13.029 -1.171 1.00 0.00 O flip ATOM 909 NE2 GLN A 59 15.121 12.169 -2.032 1.00 0.00 N flip ATOM 0 H GLN A 59 10.101 12.857 -4.124 1.00 0.00 H new ATOM 0 HA GLN A 59 12.410 13.194 -5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 59 12.022 11.587 -3.423 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.295 11.220 -4.570 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.389 13.287 -4.215 1.00 0.00 H new ATOM 0 HG3 GLN A 59 12.969 14.027 -3.502 1.00 0.00 H new ATOM 0 HE21 GLN A 59 15.702 11.950 -2.841 1.00 0.00 H new ATOM 0 HE22 GLN A 59 15.442 11.929 -1.094 1.00 0.00 H new ATOM 918 N LYS A 60 11.913 11.215 -7.329 1.00 0.00 N ATOM 919 CA LYS A 60 11.525 10.211 -8.296 1.00 0.00 C ATOM 920 C LYS A 60 11.773 8.818 -7.771 1.00 0.00 C ATOM 921 O LYS A 60 12.719 8.578 -7.019 1.00 0.00 O ATOM 922 CB LYS A 60 12.296 10.425 -9.601 1.00 0.00 C ATOM 923 CG LYS A 60 11.836 9.536 -10.742 1.00 0.00 C ATOM 924 CD LYS A 60 12.373 10.021 -12.075 1.00 0.00 C ATOM 925 CE LYS A 60 11.702 11.315 -12.520 1.00 0.00 C ATOM 926 NZ LYS A 60 12.576 12.090 -13.441 1.00 0.00 N ATOM 0 H LYS A 60 12.738 11.749 -7.602 1.00 0.00 H new ATOM 0 HA LYS A 60 10.456 10.313 -8.483 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.196 11.468 -9.903 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.356 10.246 -9.419 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.169 8.513 -10.565 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.747 9.516 -10.773 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.449 10.178 -11.998 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.216 9.252 -12.831 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.759 11.086 -13.017 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.462 11.922 -11.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.091 12.965 -13.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.465 12.329 -12.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.784 11.519 -14.285 1.00 0.00 H new ATOM 940 N LEU A 61 10.895 7.920 -8.168 1.00 0.00 N ATOM 941 CA LEU A 61 10.982 6.527 -7.777 1.00 0.00 C ATOM 942 C LEU A 61 12.333 5.924 -8.095 1.00 0.00 C ATOM 943 O LEU A 61 12.734 5.853 -9.262 1.00 0.00 O ATOM 944 CB LEU A 61 9.937 5.713 -8.513 1.00 0.00 C ATOM 945 CG LEU A 61 8.558 5.720 -7.902 1.00 0.00 C ATOM 946 CD1 LEU A 61 7.674 4.759 -8.667 1.00 0.00 C ATOM 947 CD2 LEU A 61 8.639 5.360 -6.432 1.00 0.00 C ATOM 0 H LEU A 61 10.101 8.135 -8.771 1.00 0.00 H new ATOM 0 HA LEU A 61 10.822 6.499 -6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.864 6.086 -9.535 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.283 4.681 -8.574 1.00 0.00 H new ATOM 0 HG LEU A 61 8.122 6.717 -7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.675 4.758 -8.231 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.615 5.071 -9.710 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.095 3.755 -8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.638 5.368 -6.000 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.073 4.366 -6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.264 6.087 -5.913 1.00 0.00 H new ATOM 959 N GLY A 62 13.032 5.510 -7.060 1.00 0.00 N ATOM 960 CA GLY A 62 14.295 4.850 -7.261 1.00 0.00 C ATOM 961 C GLY A 62 14.074 3.481 -7.882 1.00 0.00 C ATOM 962 O GLY A 62 12.948 2.968 -7.871 1.00 0.00 O ATOM 0 H GLY A 62 12.749 5.618 -6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 62 14.931 5.454 -7.909 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.816 4.747 -6.309 1.00 0.00 H new ATOM 966 N GLU A 63 15.128 2.868 -8.401 1.00 0.00 N ATOM 967 CA GLU A 63 15.016 1.551 -9.037 1.00 0.00 C ATOM 968 C GLU A 63 14.877 0.447 -7.997 1.00 0.00 C ATOM 969 O GLU A 63 15.192 -0.715 -8.249 1.00 0.00 O ATOM 970 CB GLU A 63 16.229 1.294 -9.921 1.00 0.00 C ATOM 971 CG GLU A 63 16.662 2.519 -10.689 1.00 0.00 C ATOM 972 CD GLU A 63 17.794 2.235 -11.651 1.00 0.00 C ATOM 973 OE1 GLU A 63 18.861 1.775 -11.195 1.00 0.00 O ATOM 974 OE2 GLU A 63 17.627 2.479 -12.864 1.00 0.00 O ATOM 0 H GLU A 63 16.071 3.256 -8.397 1.00 0.00 H new ATOM 0 HA GLU A 63 14.117 1.546 -9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 63 17.057 0.947 -9.303 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.998 0.493 -10.623 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.811 2.915 -11.243 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.973 3.292 -9.986 1.00 0.00 H new ATOM 981 N ASP A 64 14.399 0.833 -6.831 1.00 0.00 N ATOM 982 CA ASP A 64 14.193 -0.093 -5.729 1.00 0.00 C ATOM 983 C ASP A 64 12.740 -0.051 -5.283 1.00 0.00 C ATOM 984 O ASP A 64 12.356 -0.694 -4.310 1.00 0.00 O ATOM 985 CB ASP A 64 15.107 0.258 -4.549 1.00 0.00 C ATOM 986 CG ASP A 64 16.494 -0.339 -4.675 1.00 0.00 C ATOM 987 OD1 ASP A 64 17.369 0.304 -5.294 1.00 0.00 O ATOM 988 OD2 ASP A 64 16.725 -1.446 -4.139 1.00 0.00 O ATOM 0 H ASP A 64 14.142 1.797 -6.618 1.00 0.00 H new ATOM 0 HA ASP A 64 14.438 -1.098 -6.072 1.00 0.00 H new ATOM 0 HB2 ASP A 64 15.190 1.342 -4.471 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.649 -0.094 -3.625 1.00 0.00 H new ATOM 993 N GLU A 65 11.932 0.720 -6.005 1.00 0.00 N ATOM 994 CA GLU A 65 10.521 0.862 -5.679 1.00 0.00 C ATOM 995 C GLU A 65 9.642 0.363 -6.816 1.00 0.00 C ATOM 996 O GLU A 65 9.098 -0.740 -6.742 1.00 0.00 O ATOM 997 CB GLU A 65 10.223 2.319 -5.338 1.00 0.00 C ATOM 998 CG GLU A 65 10.541 2.656 -3.891 1.00 0.00 C ATOM 999 CD GLU A 65 10.487 4.139 -3.601 1.00 0.00 C ATOM 1000 OE1 GLU A 65 9.625 4.557 -2.794 1.00 0.00 O ATOM 1001 OE2 GLU A 65 11.308 4.888 -4.170 1.00 0.00 O ATOM 0 H GLU A 65 12.233 1.255 -6.820 1.00 0.00 H new ATOM 0 HA GLU A 65 10.292 0.246 -4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.803 2.968 -5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.171 2.526 -5.533 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.836 2.139 -3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.535 2.280 -3.647 1.00 0.00 H new ATOM 1008 N SER A 66 9.525 1.172 -7.863 1.00 0.00 N ATOM 1009 CA SER A 66 8.720 0.836 -9.041 1.00 0.00 C ATOM 1010 C SER A 66 7.232 0.668 -8.697 1.00 0.00 C ATOM 1011 O SER A 66 6.796 -0.376 -8.213 1.00 0.00 O ATOM 1012 CB SER A 66 9.256 -0.433 -9.714 1.00 0.00 C ATOM 1013 OG SER A 66 10.658 -0.348 -9.937 1.00 0.00 O ATOM 0 H SER A 66 9.984 2.081 -7.923 1.00 0.00 H new ATOM 0 HA SER A 66 8.802 1.672 -9.736 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.037 -1.299 -9.089 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.743 -0.588 -10.663 1.00 0.00 H new ATOM 0 HG SER A 66 10.972 -1.172 -10.365 1.00 0.00 H new ATOM 1019 N ILE A 67 6.465 1.718 -8.956 1.00 0.00 N ATOM 1020 CA ILE A 67 5.029 1.717 -8.711 1.00 0.00 C ATOM 1021 C ILE A 67 4.294 1.027 -9.859 1.00 0.00 C ATOM 1022 O ILE A 67 4.668 1.207 -11.018 1.00 0.00 O ATOM 1023 CB ILE A 67 4.489 3.159 -8.600 1.00 0.00 C ATOM 1024 CG1 ILE A 67 4.924 3.790 -7.291 1.00 0.00 C ATOM 1025 CG2 ILE A 67 2.976 3.197 -8.707 1.00 0.00 C ATOM 1026 CD1 ILE A 67 4.413 5.196 -7.105 1.00 0.00 C ATOM 0 H ILE A 67 6.820 2.593 -9.341 1.00 0.00 H new ATOM 0 HA ILE A 67 4.858 1.184 -7.776 1.00 0.00 H new ATOM 0 HB ILE A 67 4.905 3.728 -9.431 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.574 3.172 -6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.013 3.798 -7.244 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.631 4.228 -8.625 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.669 2.787 -9.669 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.539 2.603 -7.904 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.761 5.586 -6.149 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.784 5.828 -7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.323 5.192 -7.120 1.00 0.00 H new ATOM 1038 N PRO A 68 3.265 0.215 -9.560 1.00 0.00 N ATOM 1039 CA PRO A 68 2.460 -0.440 -10.592 1.00 0.00 C ATOM 1040 C PRO A 68 1.950 0.584 -11.606 1.00 0.00 C ATOM 1041 O PRO A 68 1.333 1.583 -11.228 1.00 0.00 O ATOM 1042 CB PRO A 68 1.298 -1.043 -9.802 1.00 0.00 C ATOM 1043 CG PRO A 68 1.844 -1.256 -8.434 1.00 0.00 C ATOM 1044 CD PRO A 68 2.826 -0.143 -8.200 1.00 0.00 C ATOM 0 HA PRO A 68 3.017 -1.181 -11.165 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.439 -0.372 -9.786 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.962 -1.980 -10.245 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.048 -1.237 -7.689 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.331 -2.228 -8.355 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.362 0.702 -7.692 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.662 -0.468 -7.580 1.00 0.00 H new ATOM 1052 N GLU A 69 2.198 0.335 -12.886 1.00 0.00 N ATOM 1053 CA GLU A 69 1.795 1.259 -13.948 1.00 0.00 C ATOM 1054 C GLU A 69 0.285 1.505 -13.984 1.00 0.00 C ATOM 1055 O GLU A 69 -0.177 2.446 -14.627 1.00 0.00 O ATOM 1056 CB GLU A 69 2.276 0.753 -15.305 1.00 0.00 C ATOM 1057 CG GLU A 69 3.696 1.182 -15.640 1.00 0.00 C ATOM 1058 CD GLU A 69 4.153 0.674 -16.991 1.00 0.00 C ATOM 1059 OE1 GLU A 69 3.749 1.258 -18.015 1.00 0.00 O ATOM 1060 OE2 GLU A 69 4.920 -0.314 -17.039 1.00 0.00 O ATOM 0 H GLU A 69 2.678 -0.501 -13.218 1.00 0.00 H new ATOM 0 HA GLU A 69 2.268 2.215 -13.724 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.220 -0.335 -15.319 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.602 1.117 -16.080 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.756 2.270 -15.626 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.374 0.815 -14.869 1.00 0.00 H new ATOM 1067 N GLU A 70 -0.476 0.682 -13.277 1.00 0.00 N ATOM 1068 CA GLU A 70 -1.922 0.836 -13.249 1.00 0.00 C ATOM 1069 C GLU A 70 -2.349 1.881 -12.210 1.00 0.00 C ATOM 1070 O GLU A 70 -3.475 2.373 -12.252 1.00 0.00 O ATOM 1071 CB GLU A 70 -2.603 -0.508 -12.970 1.00 0.00 C ATOM 1072 CG GLU A 70 -2.308 -1.079 -11.594 1.00 0.00 C ATOM 1073 CD GLU A 70 -3.314 -2.132 -11.176 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -2.970 -2.989 -10.335 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -4.460 -2.097 -11.672 1.00 0.00 O ATOM 0 H GLU A 70 -0.119 -0.094 -12.719 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.239 1.189 -14.230 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.681 -0.386 -13.078 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.287 -1.227 -13.725 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.309 -1.514 -11.591 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.306 -0.272 -10.862 1.00 0.00 H new ATOM 1082 N ILE A 71 -1.450 2.229 -11.287 1.00 0.00 N ATOM 1083 CA ILE A 71 -1.773 3.214 -10.253 1.00 0.00 C ATOM 1084 C ILE A 71 -0.847 4.432 -10.328 1.00 0.00 C ATOM 1085 O ILE A 71 -1.186 5.509 -9.835 1.00 0.00 O ATOM 1086 CB ILE A 71 -1.696 2.598 -8.835 1.00 0.00 C ATOM 1087 CG1 ILE A 71 -0.246 2.308 -8.444 1.00 0.00 C ATOM 1088 CG2 ILE A 71 -2.524 1.323 -8.775 1.00 0.00 C ATOM 1089 CD1 ILE A 71 -0.056 1.997 -6.975 1.00 0.00 C ATOM 0 H ILE A 71 -0.505 1.849 -11.234 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.797 3.537 -10.441 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.101 3.318 -8.124 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.117 1.466 -9.033 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.369 3.169 -8.705 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.464 0.897 -7.774 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.563 1.553 -9.010 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.139 0.605 -9.499 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.998 1.803 -6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.387 2.847 -6.378 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.643 1.117 -6.711 1.00 0.00 H new ATOM 1101 N ILE A 72 0.301 4.250 -10.975 1.00 0.00 N ATOM 1102 CA ILE A 72 1.327 5.290 -11.126 1.00 0.00 C ATOM 1103 C ILE A 72 0.783 6.588 -11.710 1.00 0.00 C ATOM 1104 O ILE A 72 1.289 7.668 -11.414 1.00 0.00 O ATOM 1105 CB ILE A 72 2.461 4.758 -12.024 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.775 5.520 -11.786 1.00 0.00 C ATOM 1107 CG2 ILE A 72 2.074 4.776 -13.504 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.044 6.637 -12.779 1.00 0.00 C ATOM 0 H ILE A 72 0.553 3.366 -11.417 1.00 0.00 H new ATOM 0 HA ILE A 72 1.697 5.523 -10.128 1.00 0.00 H new ATOM 0 HB ILE A 72 2.625 3.718 -11.743 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.759 5.941 -10.781 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.603 4.812 -11.822 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.902 4.393 -14.101 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.195 4.150 -13.658 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.849 5.798 -13.809 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.991 7.120 -12.536 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.096 6.224 -13.786 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.239 7.370 -12.729 1.00 0.00 H new ATOM 1120 N ASN A 73 -0.243 6.488 -12.527 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.814 7.664 -13.156 1.00 0.00 C ATOM 1122 C ASN A 73 -2.081 8.111 -12.443 1.00 0.00 C ATOM 1123 O ASN A 73 -2.858 8.906 -12.976 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.107 7.360 -14.616 1.00 0.00 C ATOM 1125 CG ASN A 73 -0.921 8.565 -15.518 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.848 9.347 -15.734 1.00 0.00 O ATOM 1127 ND2 ASN A 73 0.281 8.720 -16.050 1.00 0.00 N ATOM 0 H ASN A 73 -0.699 5.609 -12.772 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.094 8.480 -13.090 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.453 6.556 -14.953 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.131 6.998 -14.708 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.468 9.511 -16.666 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.020 8.048 -15.844 1.00 0.00 H new ATOM 1134 N GLY A 74 -2.282 7.609 -11.237 1.00 0.00 N ATOM 1135 CA GLY A 74 -3.480 7.980 -10.492 1.00 0.00 C ATOM 1136 C GLY A 74 -3.222 8.421 -9.068 1.00 0.00 C ATOM 1137 O GLY A 74 -4.045 8.148 -8.196 1.00 0.00 O ATOM 0 H GLY A 74 -1.654 6.962 -10.761 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.987 8.786 -11.022 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.162 7.129 -10.478 1.00 0.00 H new ATOM 1141 N LYS A 75 -2.107 9.125 -8.845 1.00 0.00 N ATOM 1142 CA LYS A 75 -1.732 9.620 -7.512 1.00 0.00 C ATOM 1143 C LYS A 75 -1.647 8.448 -6.541 1.00 0.00 C ATOM 1144 O LYS A 75 -2.658 7.936 -6.057 1.00 0.00 O ATOM 1145 CB LYS A 75 -2.734 10.664 -7.018 1.00 0.00 C ATOM 1146 CG LYS A 75 -2.123 11.763 -6.165 1.00 0.00 C ATOM 1147 CD LYS A 75 -1.874 13.005 -7.014 1.00 0.00 C ATOM 1148 CE LYS A 75 -1.189 14.120 -6.238 1.00 0.00 C ATOM 1149 NZ LYS A 75 -0.959 15.316 -7.097 1.00 0.00 N ATOM 0 H LYS A 75 -1.441 9.368 -9.578 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.757 10.102 -7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.222 11.118 -7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.510 10.161 -6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.790 12.006 -5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.186 11.417 -5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.260 12.735 -7.873 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.824 13.370 -7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.801 14.398 -5.380 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.237 13.762 -5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.781 16.146 -6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.136 15.150 -7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.799 15.488 -7.685 1.00 0.00 H new ATOM 1163 N CYS A 76 -0.441 8.060 -6.216 1.00 0.00 N ATOM 1164 CA CYS A 76 -0.255 6.904 -5.359 1.00 0.00 C ATOM 1165 C CYS A 76 0.116 7.309 -3.952 1.00 0.00 C ATOM 1166 O CYS A 76 0.368 8.477 -3.671 1.00 0.00 O ATOM 1167 CB CYS A 76 0.823 5.983 -5.927 1.00 0.00 C ATOM 1168 SG CYS A 76 0.731 5.751 -7.711 1.00 0.00 S ATOM 0 H CYS A 76 0.419 8.515 -6.523 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.205 6.371 -5.323 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.802 6.390 -5.675 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.747 5.010 -5.441 1.00 0.00 H new ATOM 0 HG CYS A 76 1.121 6.837 -8.310 1.00 0.00 H new ATOM 1174 N PHE A 77 0.111 6.331 -3.071 1.00 0.00 N ATOM 1175 CA PHE A 77 0.452 6.541 -1.685 1.00 0.00 C ATOM 1176 C PHE A 77 1.212 5.344 -1.162 1.00 0.00 C ATOM 1177 O PHE A 77 0.682 4.235 -1.109 1.00 0.00 O ATOM 1178 CB PHE A 77 -0.807 6.771 -0.844 1.00 0.00 C ATOM 1179 CG PHE A 77 -1.544 8.022 -1.216 1.00 0.00 C ATOM 1180 CD1 PHE A 77 -1.003 9.260 -0.930 1.00 0.00 C ATOM 1181 CD2 PHE A 77 -2.765 7.961 -1.868 1.00 0.00 C ATOM 1182 CE1 PHE A 77 -1.659 10.418 -1.288 1.00 0.00 C ATOM 1183 CE2 PHE A 77 -3.429 9.118 -2.223 1.00 0.00 C ATOM 1184 CZ PHE A 77 -2.874 10.349 -1.935 1.00 0.00 C ATOM 0 H PHE A 77 -0.131 5.367 -3.299 1.00 0.00 H new ATOM 0 HA PHE A 77 1.079 7.430 -1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.474 5.916 -0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.529 6.820 0.209 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.053 9.322 -0.419 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.201 7.001 -2.100 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.221 11.379 -1.062 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.383 9.060 -2.726 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.390 11.255 -2.216 1.00 0.00 H new ATOM 1194 N PHE A 78 2.466 5.550 -0.820 1.00 0.00 N ATOM 1195 CA PHE A 78 3.258 4.468 -0.275 1.00 0.00 C ATOM 1196 C PHE A 78 2.958 4.389 1.196 1.00 0.00 C ATOM 1197 O PHE A 78 3.371 5.246 1.977 1.00 0.00 O ATOM 1198 CB PHE A 78 4.755 4.659 -0.502 1.00 0.00 C ATOM 1199 CG PHE A 78 5.568 3.495 -0.008 1.00 0.00 C ATOM 1200 CD1 PHE A 78 6.164 3.535 1.241 1.00 0.00 C ATOM 1201 CD2 PHE A 78 5.713 2.352 -0.779 1.00 0.00 C ATOM 1202 CE1 PHE A 78 6.891 2.462 1.712 1.00 0.00 C ATOM 1203 CE2 PHE A 78 6.443 1.275 -0.313 1.00 0.00 C ATOM 1204 CZ PHE A 78 7.031 1.331 0.934 1.00 0.00 C ATOM 0 H PHE A 78 2.953 6.442 -0.908 1.00 0.00 H new ATOM 0 HA PHE A 78 2.994 3.542 -0.786 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.942 4.802 -1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.083 5.567 0.004 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.058 4.418 1.854 1.00 0.00 H new ATOM 0 HD2 PHE A 78 5.251 2.303 -1.754 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.350 2.507 2.688 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.553 0.391 -0.924 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.601 0.490 1.301 1.00 0.00 H new ATOM 1214 N ILE A 79 2.211 3.383 1.566 1.00 0.00 N ATOM 1215 CA ILE A 79 1.816 3.224 2.939 1.00 0.00 C ATOM 1216 C ILE A 79 2.494 2.064 3.594 1.00 0.00 C ATOM 1217 O ILE A 79 3.116 1.208 2.965 1.00 0.00 O ATOM 1218 CB ILE A 79 0.304 2.997 3.084 1.00 0.00 C ATOM 1219 CG1 ILE A 79 -0.027 1.560 2.673 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.486 4.011 2.264 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -1.384 1.394 2.045 1.00 0.00 C ATOM 0 H ILE A 79 1.864 2.661 0.935 1.00 0.00 H new ATOM 0 HA ILE A 79 2.109 4.156 3.423 1.00 0.00 H new ATOM 0 HB ILE A 79 0.015 3.142 4.125 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.731 1.211 1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.034 0.919 3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.553 3.826 2.386 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.251 5.019 2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.219 3.915 1.212 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.538 0.347 1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.153 1.709 2.751 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.446 2.005 1.145 1.00 0.00 H new ATOM 1233 N HIS A 80 2.332 2.073 4.873 1.00 0.00 N ATOM 1234 CA HIS A 80 2.821 1.064 5.737 1.00 0.00 C ATOM 1235 C HIS A 80 1.660 0.781 6.674 1.00 0.00 C ATOM 1236 O HIS A 80 1.391 1.550 7.599 1.00 0.00 O ATOM 1237 CB HIS A 80 4.084 1.572 6.429 1.00 0.00 C ATOM 1238 CG HIS A 80 4.411 0.909 7.720 1.00 0.00 C ATOM 1239 ND1 HIS A 80 5.283 -0.145 7.834 1.00 0.00 N ATOM 1240 CD2 HIS A 80 3.975 1.182 8.959 1.00 0.00 C ATOM 1241 CE1 HIS A 80 5.384 -0.491 9.103 1.00 0.00 C ATOM 1242 NE2 HIS A 80 4.596 0.302 9.815 1.00 0.00 N ATOM 0 H HIS A 80 1.834 2.817 5.362 1.00 0.00 H new ATOM 0 HA HIS A 80 3.125 0.141 5.243 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.927 1.444 5.750 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.976 2.642 6.606 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.775 -0.590 7.060 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.267 1.950 9.234 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.003 -1.285 9.495 1.00 0.00 H new ATOM 1251 N TYR A 81 0.907 -0.258 6.328 1.00 0.00 N ATOM 1252 CA TYR A 81 -0.292 -0.659 7.058 1.00 0.00 C ATOM 1253 C TYR A 81 -0.137 -0.521 8.570 1.00 0.00 C ATOM 1254 O TYR A 81 0.789 -1.066 9.179 1.00 0.00 O ATOM 1255 CB TYR A 81 -0.683 -2.081 6.679 1.00 0.00 C ATOM 1256 CG TYR A 81 -1.353 -2.160 5.323 1.00 0.00 C ATOM 1257 CD1 TYR A 81 -2.727 -2.016 5.207 1.00 0.00 C ATOM 1258 CD2 TYR A 81 -0.615 -2.362 4.163 1.00 0.00 C ATOM 1259 CE1 TYR A 81 -3.349 -2.072 3.977 1.00 0.00 C ATOM 1260 CE2 TYR A 81 -1.231 -2.422 2.927 1.00 0.00 C ATOM 1261 CZ TYR A 81 -2.601 -2.276 2.840 1.00 0.00 C ATOM 1262 OH TYR A 81 -3.226 -2.329 1.617 1.00 0.00 O ATOM 0 H TYR A 81 1.114 -0.852 5.525 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.091 0.023 6.768 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.207 -2.710 6.677 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.356 -2.483 7.436 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -3.321 -1.857 6.095 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.457 -2.474 4.228 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.420 -1.956 3.906 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.644 -2.582 2.035 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.363 -3.265 1.360 1.00 0.00 H new ATOM 1272 N GLN A 82 -1.067 0.224 9.154 1.00 0.00 N ATOM 1273 CA GLN A 82 -1.076 0.491 10.584 1.00 0.00 C ATOM 1274 C GLN A 82 -1.482 -0.756 11.355 1.00 0.00 C ATOM 1275 O GLN A 82 -2.516 -1.360 11.073 1.00 0.00 O ATOM 1276 CB GLN A 82 -2.042 1.633 10.896 1.00 0.00 C ATOM 1277 CG GLN A 82 -1.475 2.675 11.850 1.00 0.00 C ATOM 1278 CD GLN A 82 -2.521 3.661 12.335 1.00 0.00 C ATOM 1279 OE1 GLN A 82 -2.233 4.839 12.541 1.00 0.00 O ATOM 1280 NE2 GLN A 82 -3.737 3.185 12.545 1.00 0.00 N ATOM 0 H GLN A 82 -1.837 0.660 8.647 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.070 0.779 10.890 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.324 2.123 9.964 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.953 1.218 11.326 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.032 2.171 12.709 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.673 3.219 11.351 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.938 2.202 12.363 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.473 3.801 12.889 1.00 0.00 H new ATOM 1289 N GLY A 83 -0.666 -1.136 12.326 1.00 0.00 N ATOM 1290 CA GLY A 83 -0.958 -2.314 13.118 1.00 0.00 C ATOM 1291 C GLY A 83 -0.399 -3.573 12.498 1.00 0.00 C ATOM 1292 O GLY A 83 -0.629 -4.676 12.996 1.00 0.00 O ATOM 0 H GLY A 83 0.194 -0.650 12.581 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.543 -2.189 14.118 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.037 -2.415 13.231 1.00 0.00 H new ATOM 1296 N TRP A 84 0.336 -3.406 11.411 1.00 0.00 N ATOM 1297 CA TRP A 84 0.928 -4.531 10.719 1.00 0.00 C ATOM 1298 C TRP A 84 2.451 -4.444 10.732 1.00 0.00 C ATOM 1299 O TRP A 84 3.036 -3.616 11.439 1.00 0.00 O ATOM 1300 CB TRP A 84 0.405 -4.609 9.284 1.00 0.00 C ATOM 1301 CG TRP A 84 -1.020 -5.077 9.200 1.00 0.00 C ATOM 1302 CD1 TRP A 84 -2.089 -4.371 8.729 1.00 0.00 C ATOM 1303 CD2 TRP A 84 -1.533 -6.354 9.606 1.00 0.00 C ATOM 1304 NE1 TRP A 84 -3.231 -5.130 8.812 1.00 0.00 N ATOM 1305 CE2 TRP A 84 -2.916 -6.350 9.348 1.00 0.00 C ATOM 1306 CE3 TRP A 84 -0.956 -7.499 10.162 1.00 0.00 C ATOM 1307 CZ2 TRP A 84 -3.728 -7.446 9.627 1.00 0.00 C ATOM 1308 CZ3 TRP A 84 -1.763 -8.587 10.438 1.00 0.00 C ATOM 1309 CH2 TRP A 84 -3.137 -8.555 10.170 1.00 0.00 C ATOM 0 H TRP A 84 0.535 -2.498 10.990 1.00 0.00 H new ATOM 0 HA TRP A 84 0.640 -5.442 11.244 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.486 -3.626 8.820 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.038 -5.286 8.709 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.044 -3.362 8.347 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -4.163 -4.833 8.521 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.103 -7.533 10.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -4.788 -7.422 9.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.326 -9.477 10.868 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.742 -9.421 10.396 1.00 0.00 H new ATOM 1320 N LYS A 85 3.073 -5.296 9.934 1.00 0.00 N ATOM 1321 CA LYS A 85 4.524 -5.374 9.842 1.00 0.00 C ATOM 1322 C LYS A 85 5.031 -4.627 8.603 1.00 0.00 C ATOM 1323 O LYS A 85 4.253 -4.296 7.712 1.00 0.00 O ATOM 1324 CB LYS A 85 4.934 -6.857 9.809 1.00 0.00 C ATOM 1325 CG LYS A 85 6.411 -7.112 9.552 1.00 0.00 C ATOM 1326 CD LYS A 85 6.824 -8.510 9.989 1.00 0.00 C ATOM 1327 CE LYS A 85 6.667 -8.691 11.489 1.00 0.00 C ATOM 1328 NZ LYS A 85 6.922 -10.093 11.914 1.00 0.00 N ATOM 0 H LYS A 85 2.585 -5.956 9.329 1.00 0.00 H new ATOM 0 HA LYS A 85 4.977 -4.895 10.710 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.662 -7.314 10.760 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.354 -7.361 9.036 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.623 -6.985 8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.007 -6.372 10.087 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.218 -9.250 9.466 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.861 -8.690 9.706 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.356 -8.025 12.008 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.659 -8.401 11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.804 -10.170 12.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.248 -10.728 11.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.893 -10.363 11.656 1.00 0.00 H new ATOM 1342 N SER A 86 6.337 -4.360 8.564 1.00 0.00 N ATOM 1343 CA SER A 86 6.967 -3.658 7.446 1.00 0.00 C ATOM 1344 C SER A 86 6.863 -4.451 6.141 1.00 0.00 C ATOM 1345 O SER A 86 7.199 -3.949 5.071 1.00 0.00 O ATOM 1346 CB SER A 86 8.429 -3.384 7.785 1.00 0.00 C ATOM 1347 OG SER A 86 8.606 -3.335 9.195 1.00 0.00 O ATOM 0 H SER A 86 6.986 -4.624 9.305 1.00 0.00 H new ATOM 0 HA SER A 86 6.439 -2.717 7.292 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.061 -4.163 7.359 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.742 -2.440 7.339 1.00 0.00 H new ATOM 0 HG SER A 86 9.548 -3.160 9.401 1.00 0.00 H new ATOM 1353 N SER A 87 6.403 -5.692 6.234 1.00 0.00 N ATOM 1354 CA SER A 87 6.226 -6.528 5.059 1.00 0.00 C ATOM 1355 C SER A 87 4.926 -6.150 4.355 1.00 0.00 C ATOM 1356 O SER A 87 4.518 -6.781 3.378 1.00 0.00 O ATOM 1357 CB SER A 87 6.207 -7.998 5.468 1.00 0.00 C ATOM 1358 OG SER A 87 5.739 -8.141 6.799 1.00 0.00 O ATOM 0 H SER A 87 6.146 -6.140 7.113 1.00 0.00 H new ATOM 0 HA SER A 87 7.057 -6.371 4.371 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.567 -8.561 4.789 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.209 -8.418 5.382 1.00 0.00 H new ATOM 0 HG SER A 87 5.732 -9.090 7.043 1.00 0.00 H new ATOM 1364 N TRP A 88 4.285 -5.107 4.875 1.00 0.00 N ATOM 1365 CA TRP A 88 3.041 -4.605 4.325 1.00 0.00 C ATOM 1366 C TRP A 88 3.282 -3.271 3.626 1.00 0.00 C ATOM 1367 O TRP A 88 2.344 -2.613 3.178 1.00 0.00 O ATOM 1368 CB TRP A 88 1.985 -4.438 5.423 1.00 0.00 C ATOM 1369 CG TRP A 88 1.352 -5.730 5.850 1.00 0.00 C ATOM 1370 CD1 TRP A 88 1.897 -6.678 6.666 1.00 0.00 C ATOM 1371 CD2 TRP A 88 0.049 -6.212 5.490 1.00 0.00 C ATOM 1372 NE1 TRP A 88 1.017 -7.722 6.832 1.00 0.00 N ATOM 1373 CE2 TRP A 88 -0.126 -7.457 6.123 1.00 0.00 C ATOM 1374 CE3 TRP A 88 -0.986 -5.714 4.693 1.00 0.00 C ATOM 1375 CZ2 TRP A 88 -1.294 -8.207 5.985 1.00 0.00 C ATOM 1376 CZ3 TRP A 88 -2.143 -6.456 4.560 1.00 0.00 C ATOM 1377 CH2 TRP A 88 -2.289 -7.692 5.204 1.00 0.00 C ATOM 0 H TRP A 88 4.618 -4.590 5.689 1.00 0.00 H new ATOM 0 HA TRP A 88 2.669 -5.329 3.600 1.00 0.00 H new ATOM 0 HB2 TRP A 88 2.446 -3.965 6.290 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.207 -3.762 5.068 1.00 0.00 H new ATOM 0 HD1 TRP A 88 2.877 -6.617 7.116 1.00 0.00 H new ATOM 0 HE1 TRP A 88 1.187 -8.558 7.392 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -0.882 -4.764 4.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.407 -9.161 6.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -2.949 -6.077 3.949 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -3.206 -8.248 5.080 1.00 0.00 H new ATOM 1388 N ASP A 89 4.547 -2.869 3.564 1.00 0.00 N ATOM 1389 CA ASP A 89 4.933 -1.623 2.909 1.00 0.00 C ATOM 1390 C ASP A 89 4.739 -1.763 1.408 1.00 0.00 C ATOM 1391 O ASP A 89 5.514 -2.446 0.732 1.00 0.00 O ATOM 1392 CB ASP A 89 6.402 -1.280 3.207 1.00 0.00 C ATOM 1393 CG ASP A 89 6.628 -0.702 4.596 1.00 0.00 C ATOM 1394 OD1 ASP A 89 6.012 -1.197 5.568 1.00 0.00 O ATOM 1395 OD2 ASP A 89 7.446 0.235 4.721 1.00 0.00 O ATOM 0 H ASP A 89 5.327 -3.391 3.962 1.00 0.00 H new ATOM 0 HA ASP A 89 4.306 -0.818 3.293 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.005 -2.181 3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.756 -0.565 2.464 1.00 0.00 H new ATOM 1400 N GLU A 90 3.695 -1.132 0.893 1.00 0.00 N ATOM 1401 CA GLU A 90 3.390 -1.205 -0.522 1.00 0.00 C ATOM 1402 C GLU A 90 2.782 0.110 -1.011 1.00 0.00 C ATOM 1403 O GLU A 90 2.555 1.037 -0.227 1.00 0.00 O ATOM 1404 CB GLU A 90 2.435 -2.371 -0.791 1.00 0.00 C ATOM 1405 CG GLU A 90 2.563 -2.962 -2.186 1.00 0.00 C ATOM 1406 CD GLU A 90 3.918 -3.595 -2.435 1.00 0.00 C ATOM 1407 OE1 GLU A 90 4.870 -2.862 -2.776 1.00 0.00 O ATOM 1408 OE2 GLU A 90 4.035 -4.832 -2.301 1.00 0.00 O ATOM 0 H GLU A 90 3.046 -0.564 1.437 1.00 0.00 H new ATOM 0 HA GLU A 90 4.316 -1.375 -1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.618 -3.155 -0.056 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.410 -2.030 -0.644 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.785 -3.712 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 90 2.392 -2.179 -2.924 1.00 0.00 H new ATOM 1415 N TRP A 91 2.518 0.179 -2.308 1.00 0.00 N ATOM 1416 CA TRP A 91 1.957 1.371 -2.929 1.00 0.00 C ATOM 1417 C TRP A 91 0.469 1.225 -3.208 1.00 0.00 C ATOM 1418 O TRP A 91 0.028 0.229 -3.781 1.00 0.00 O ATOM 1419 CB TRP A 91 2.651 1.644 -4.261 1.00 0.00 C ATOM 1420 CG TRP A 91 3.960 2.353 -4.160 1.00 0.00 C ATOM 1421 CD1 TRP A 91 5.198 1.793 -4.244 1.00 0.00 C ATOM 1422 CD2 TRP A 91 4.163 3.758 -3.985 1.00 0.00 C ATOM 1423 NE1 TRP A 91 6.161 2.766 -4.151 1.00 0.00 N ATOM 1424 CE2 TRP A 91 5.551 3.982 -3.989 1.00 0.00 C ATOM 1425 CE3 TRP A 91 3.309 4.852 -3.836 1.00 0.00 C ATOM 1426 CZ2 TRP A 91 6.098 5.254 -3.860 1.00 0.00 C ATOM 1427 CZ3 TRP A 91 3.856 6.113 -3.693 1.00 0.00 C ATOM 1428 CH2 TRP A 91 5.240 6.305 -3.712 1.00 0.00 C ATOM 0 H TRP A 91 2.686 -0.588 -2.959 1.00 0.00 H new ATOM 0 HA TRP A 91 2.111 2.191 -2.227 1.00 0.00 H new ATOM 0 HB2 TRP A 91 2.809 0.694 -4.772 1.00 0.00 H new ATOM 0 HB3 TRP A 91 1.983 2.236 -4.887 1.00 0.00 H new ATOM 0 HD1 TRP A 91 5.393 0.738 -4.366 1.00 0.00 H new ATOM 0 HE1 TRP A 91 7.168 2.609 -4.195 1.00 0.00 H new ATOM 0 HE3 TRP A 91 2.238 4.715 -3.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 7.167 5.405 -3.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.203 6.964 -3.564 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.638 7.304 -3.608 1.00 0.00 H new ATOM 1439 N VAL A 92 -0.301 2.218 -2.800 1.00 0.00 N ATOM 1440 CA VAL A 92 -1.727 2.242 -3.078 1.00 0.00 C ATOM 1441 C VAL A 92 -2.040 3.489 -3.887 1.00 0.00 C ATOM 1442 O VAL A 92 -1.134 4.227 -4.260 1.00 0.00 O ATOM 1443 CB VAL A 92 -2.607 2.210 -1.808 1.00 0.00 C ATOM 1444 CG1 VAL A 92 -2.505 0.856 -1.121 1.00 0.00 C ATOM 1445 CG2 VAL A 92 -2.240 3.337 -0.855 1.00 0.00 C ATOM 0 H VAL A 92 0.039 3.022 -2.273 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.965 1.335 -3.634 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.643 2.361 -2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.131 0.853 -0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.841 0.075 -1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.469 0.669 -0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.876 3.288 0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.196 3.236 -0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.384 4.296 -1.353 1.00 0.00 H new ATOM 1455 N GLY A 93 -3.306 3.726 -4.154 1.00 0.00 N ATOM 1456 CA GLY A 93 -3.696 4.896 -4.915 1.00 0.00 C ATOM 1457 C GLY A 93 -5.138 5.219 -4.653 1.00 0.00 C ATOM 1458 O GLY A 93 -5.828 4.392 -4.075 1.00 0.00 O ATOM 0 H GLY A 93 -4.079 3.130 -3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.069 5.744 -4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.542 4.716 -5.979 1.00 0.00 H new ATOM 1462 N TYR A 94 -5.612 6.381 -5.104 1.00 0.00 N ATOM 1463 CA TYR A 94 -7.010 6.806 -4.889 1.00 0.00 C ATOM 1464 C TYR A 94 -8.017 5.789 -5.415 1.00 0.00 C ATOM 1465 O TYR A 94 -9.218 5.891 -5.164 1.00 0.00 O ATOM 1466 CB TYR A 94 -7.258 8.133 -5.588 1.00 0.00 C ATOM 1467 CG TYR A 94 -6.697 9.316 -4.851 1.00 0.00 C ATOM 1468 CD1 TYR A 94 -7.063 9.584 -3.544 1.00 0.00 C ATOM 1469 CD2 TYR A 94 -5.800 10.163 -5.472 1.00 0.00 C ATOM 1470 CE1 TYR A 94 -6.544 10.666 -2.871 1.00 0.00 C ATOM 1471 CE2 TYR A 94 -5.274 11.248 -4.810 1.00 0.00 C ATOM 1472 CZ TYR A 94 -5.647 11.500 -3.508 1.00 0.00 C ATOM 1473 OH TYR A 94 -5.124 12.584 -2.842 1.00 0.00 O ATOM 0 H TYR A 94 -5.050 7.054 -5.625 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.149 6.899 -3.812 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.820 8.096 -6.585 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.332 8.271 -5.716 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.766 8.934 -3.045 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.507 9.970 -6.493 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.837 10.862 -1.850 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.572 11.899 -5.309 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.508 13.065 -3.433 1.00 0.00 H new ATOM 1483 N ASP A 95 -7.508 4.813 -6.126 1.00 0.00 N ATOM 1484 CA ASP A 95 -8.328 3.769 -6.719 1.00 0.00 C ATOM 1485 C ASP A 95 -8.573 2.646 -5.719 1.00 0.00 C ATOM 1486 O ASP A 95 -9.615 1.997 -5.735 1.00 0.00 O ATOM 1487 CB ASP A 95 -7.634 3.218 -7.970 1.00 0.00 C ATOM 1488 CG ASP A 95 -8.365 2.042 -8.585 1.00 0.00 C ATOM 1489 OD1 ASP A 95 -8.063 0.889 -8.220 1.00 0.00 O ATOM 1490 OD2 ASP A 95 -9.230 2.262 -9.454 1.00 0.00 O ATOM 0 H ASP A 95 -6.510 4.714 -6.314 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.292 4.195 -6.998 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.549 4.013 -8.711 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.620 2.913 -7.711 1.00 0.00 H new ATOM 1495 N ARG A 96 -7.618 2.446 -4.823 1.00 0.00 N ATOM 1496 CA ARG A 96 -7.713 1.381 -3.840 1.00 0.00 C ATOM 1497 C ARG A 96 -7.733 1.965 -2.432 1.00 0.00 C ATOM 1498 O ARG A 96 -8.162 1.318 -1.483 1.00 0.00 O ATOM 1499 CB ARG A 96 -6.521 0.419 -3.993 1.00 0.00 C ATOM 1500 CG ARG A 96 -5.962 0.349 -5.411 1.00 0.00 C ATOM 1501 CD ARG A 96 -6.007 -1.062 -5.984 1.00 0.00 C ATOM 1502 NE ARG A 96 -6.384 -1.061 -7.397 1.00 0.00 N ATOM 1503 CZ ARG A 96 -5.672 -1.628 -8.374 1.00 0.00 C ATOM 1504 NH1 ARG A 96 -4.504 -2.213 -8.119 1.00 0.00 N ATOM 1505 NH2 ARG A 96 -6.119 -1.590 -9.620 1.00 0.00 N ATOM 0 H ARG A 96 -6.769 3.008 -4.758 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.639 0.830 -4.005 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.726 0.730 -3.315 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.831 -0.580 -3.685 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.531 1.019 -6.056 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.932 0.705 -5.411 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.031 -1.533 -5.868 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.719 -1.662 -5.418 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.253 -0.594 -7.655 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -4.141 -2.233 -7.166 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.972 -2.642 -8.876 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.004 -1.129 -9.830 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.578 -2.022 -10.369 1.00 0.00 H new ATOM 1519 N ILE A 97 -7.279 3.203 -2.309 1.00 0.00 N ATOM 1520 CA ILE A 97 -7.210 3.874 -1.026 1.00 0.00 C ATOM 1521 C ILE A 97 -8.468 4.699 -0.769 1.00 0.00 C ATOM 1522 O ILE A 97 -9.035 5.303 -1.680 1.00 0.00 O ATOM 1523 CB ILE A 97 -5.957 4.784 -0.938 1.00 0.00 C ATOM 1524 CG1 ILE A 97 -5.567 5.022 0.508 1.00 0.00 C ATOM 1525 CG2 ILE A 97 -6.192 6.116 -1.614 1.00 0.00 C ATOM 1526 CD1 ILE A 97 -4.392 5.969 0.678 1.00 0.00 C ATOM 0 H ILE A 97 -6.950 3.766 -3.093 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.136 3.103 -0.260 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.148 4.267 -1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.426 5.424 1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.321 4.066 0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.294 6.728 -1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.427 5.954 -2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.024 6.627 -1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.172 6.090 1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.518 5.560 0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.641 6.939 0.247 1.00 0.00 H new ATOM 1538 N ARG A 98 -8.903 4.684 0.475 1.00 0.00 N ATOM 1539 CA ARG A 98 -10.071 5.419 0.926 1.00 0.00 C ATOM 1540 C ARG A 98 -9.676 6.264 2.137 1.00 0.00 C ATOM 1541 O ARG A 98 -8.501 6.315 2.505 1.00 0.00 O ATOM 1542 CB ARG A 98 -11.225 4.474 1.284 1.00 0.00 C ATOM 1543 CG ARG A 98 -11.616 3.505 0.173 1.00 0.00 C ATOM 1544 CD ARG A 98 -11.756 4.193 -1.182 1.00 0.00 C ATOM 1545 NE ARG A 98 -12.699 5.311 -1.164 1.00 0.00 N ATOM 1546 CZ ARG A 98 -12.453 6.505 -1.713 1.00 0.00 C ATOM 1547 NH1 ARG A 98 -11.257 6.775 -2.229 1.00 0.00 N ATOM 1548 NH2 ARG A 98 -13.401 7.434 -1.720 1.00 0.00 N ATOM 0 H ARG A 98 -8.447 4.151 1.216 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.422 6.062 0.119 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.947 3.900 2.168 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.097 5.071 1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.865 2.718 0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.559 3.023 0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.779 4.555 -1.501 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.083 3.462 -1.922 1.00 0.00 H new ATOM 0 HE ARG A 98 -13.599 5.171 -0.705 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.521 6.069 -2.207 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.076 7.688 -2.646 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -14.313 7.236 -1.308 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.218 8.346 -2.138 1.00 0.00 H new ATOM 1562 N ALA A 99 -10.648 6.893 2.779 1.00 0.00 N ATOM 1563 CA ALA A 99 -10.378 7.748 3.901 1.00 0.00 C ATOM 1564 C ALA A 99 -10.772 7.041 5.170 1.00 0.00 C ATOM 1565 O ALA A 99 -11.840 6.436 5.254 1.00 0.00 O ATOM 1566 CB ALA A 99 -11.138 9.053 3.769 1.00 0.00 C ATOM 0 H ALA A 99 -11.635 6.820 2.532 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.313 7.977 3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.922 9.689 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.832 9.562 2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.208 8.849 3.729 1.00 0.00 H new ATOM 1572 N TYR A 100 -9.901 7.091 6.134 1.00 0.00 N ATOM 1573 CA TYR A 100 -10.147 6.467 7.401 1.00 0.00 C ATOM 1574 C TYR A 100 -10.930 7.445 8.268 1.00 0.00 C ATOM 1575 O TYR A 100 -10.367 8.336 8.905 1.00 0.00 O ATOM 1576 CB TYR A 100 -8.790 6.107 7.984 1.00 0.00 C ATOM 1577 CG TYR A 100 -8.773 5.480 9.362 1.00 0.00 C ATOM 1578 CD1 TYR A 100 -8.793 4.099 9.512 1.00 0.00 C ATOM 1579 CD2 TYR A 100 -8.703 6.260 10.510 1.00 0.00 C ATOM 1580 CE1 TYR A 100 -8.748 3.515 10.761 1.00 0.00 C ATOM 1581 CE2 TYR A 100 -8.662 5.680 11.765 1.00 0.00 C ATOM 1582 CZ TYR A 100 -8.684 4.306 11.883 1.00 0.00 C ATOM 1583 OH TYR A 100 -8.640 3.719 13.128 1.00 0.00 O ATOM 0 H TYR A 100 -9.000 7.565 6.065 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.743 5.557 7.327 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -8.297 5.421 7.295 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.186 7.013 8.018 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.845 3.471 8.635 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.680 7.336 10.421 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.763 2.439 10.857 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.613 6.300 12.648 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.596 4.415 13.816 1.00 0.00 H new ATOM 1593 N ASN A 101 -12.242 7.279 8.259 1.00 0.00 N ATOM 1594 CA ASN A 101 -13.133 8.142 9.010 1.00 0.00 C ATOM 1595 C ASN A 101 -14.353 7.366 9.478 1.00 0.00 C ATOM 1596 O ASN A 101 -14.508 6.194 9.151 1.00 0.00 O ATOM 1597 CB ASN A 101 -13.548 9.359 8.170 1.00 0.00 C ATOM 1598 CG ASN A 101 -14.080 8.984 6.798 1.00 0.00 C ATOM 1599 OD1 ASN A 101 -14.915 8.087 6.662 1.00 0.00 O ATOM 1600 ND2 ASN A 101 -13.584 9.657 5.769 1.00 0.00 N ATOM 0 H ASN A 101 -12.716 6.545 7.733 1.00 0.00 H new ATOM 0 HA ASN A 101 -12.601 8.506 9.889 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -14.312 9.921 8.708 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -12.690 10.021 8.052 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.892 9.440 4.821 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.894 10.392 5.925 1.00 0.00 H new ATOM 1607 N GLU A 102 -15.247 8.039 10.183 1.00 0.00 N ATOM 1608 CA GLU A 102 -16.430 7.393 10.750 1.00 0.00 C ATOM 1609 C GLU A 102 -17.444 6.958 9.693 1.00 0.00 C ATOM 1610 O GLU A 102 -18.444 6.323 10.022 1.00 0.00 O ATOM 1611 CB GLU A 102 -17.078 8.318 11.781 1.00 0.00 C ATOM 1612 CG GLU A 102 -16.123 8.715 12.899 1.00 0.00 C ATOM 1613 CD GLU A 102 -16.784 9.563 13.963 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -16.997 10.766 13.721 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -17.075 9.034 15.055 1.00 0.00 O ATOM 0 H GLU A 102 -15.180 9.038 10.380 1.00 0.00 H new ATOM 0 HA GLU A 102 -16.095 6.477 11.237 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -17.438 9.217 11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -17.948 7.822 12.211 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -15.716 7.815 13.360 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.282 9.264 12.474 1.00 0.00 H new ATOM 1622 N GLU A 103 -17.201 7.287 8.433 1.00 0.00 N ATOM 1623 CA GLU A 103 -18.112 6.894 7.370 1.00 0.00 C ATOM 1624 C GLU A 103 -17.628 5.620 6.678 1.00 0.00 C ATOM 1625 O GLU A 103 -18.410 4.700 6.440 1.00 0.00 O ATOM 1626 CB GLU A 103 -18.276 8.020 6.346 1.00 0.00 C ATOM 1627 CG GLU A 103 -19.220 7.661 5.207 1.00 0.00 C ATOM 1628 CD GLU A 103 -19.614 8.849 4.355 1.00 0.00 C ATOM 1629 OE1 GLU A 103 -19.687 9.975 4.890 1.00 0.00 O ATOM 1630 OE2 GLU A 103 -19.881 8.658 3.149 1.00 0.00 O ATOM 0 H GLU A 103 -16.388 7.820 8.124 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.083 6.694 7.824 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -18.649 8.911 6.852 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -17.299 8.273 5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.745 6.911 4.574 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.120 7.206 5.621 1.00 0.00 H new ATOM 1637 N ASN A 104 -16.332 5.549 6.392 1.00 0.00 N ATOM 1638 CA ASN A 104 -15.764 4.392 5.705 1.00 0.00 C ATOM 1639 C ASN A 104 -15.471 3.274 6.681 1.00 0.00 C ATOM 1640 O ASN A 104 -15.688 2.097 6.391 1.00 0.00 O ATOM 1641 CB ASN A 104 -14.483 4.780 4.971 1.00 0.00 C ATOM 1642 CG ASN A 104 -14.748 5.217 3.549 1.00 0.00 C ATOM 1643 OD1 ASN A 104 -15.014 6.388 3.287 1.00 0.00 O ATOM 1644 ND2 ASN A 104 -14.670 4.280 2.617 1.00 0.00 N ATOM 0 H ASN A 104 -15.656 6.276 6.624 1.00 0.00 H new ATOM 0 HA ASN A 104 -16.499 4.041 4.981 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -13.988 5.587 5.511 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -13.798 3.932 4.967 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -14.833 4.519 1.639 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -14.446 3.319 2.877 1.00 0.00 H new ATOM 1651 N ILE A 105 -14.998 3.652 7.852 1.00 0.00 N ATOM 1652 CA ILE A 105 -14.671 2.694 8.886 1.00 0.00 C ATOM 1653 C ILE A 105 -15.932 2.012 9.369 1.00 0.00 C ATOM 1654 O ILE A 105 -15.908 0.845 9.761 1.00 0.00 O ATOM 1655 CB ILE A 105 -13.998 3.378 10.062 1.00 0.00 C ATOM 1656 CG1 ILE A 105 -12.659 3.953 9.633 1.00 0.00 C ATOM 1657 CG2 ILE A 105 -13.813 2.414 11.216 1.00 0.00 C ATOM 1658 CD1 ILE A 105 -12.035 4.801 10.699 1.00 0.00 C ATOM 0 H ILE A 105 -14.831 4.624 8.111 1.00 0.00 H new ATOM 0 HA ILE A 105 -13.986 1.958 8.464 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.641 4.191 10.401 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.982 3.138 9.377 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.795 4.549 8.731 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -13.329 2.929 12.046 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -14.785 2.041 11.538 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -13.192 1.578 10.895 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.080 5.188 10.343 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.698 5.633 10.937 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.872 4.200 11.593 1.00 0.00 H new ATOM 1670 N ALA A 106 -17.037 2.751 9.307 1.00 0.00 N ATOM 1671 CA ALA A 106 -18.324 2.236 9.732 1.00 0.00 C ATOM 1672 C ALA A 106 -18.637 0.978 8.947 1.00 0.00 C ATOM 1673 O ALA A 106 -19.251 0.040 9.456 1.00 0.00 O ATOM 1674 CB ALA A 106 -19.411 3.280 9.538 1.00 0.00 C ATOM 0 H ALA A 106 -17.061 3.711 8.964 1.00 0.00 H new ATOM 0 HA ALA A 106 -18.285 1.996 10.795 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -20.369 2.873 9.863 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -19.174 4.166 10.128 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -19.471 3.551 8.484 1.00 0.00 H new ATOM 1680 N MET A 107 -18.180 0.962 7.704 1.00 0.00 N ATOM 1681 CA MET A 107 -18.372 -0.185 6.851 1.00 0.00 C ATOM 1682 C MET A 107 -17.317 -1.227 7.172 1.00 0.00 C ATOM 1683 O MET A 107 -17.649 -2.377 7.336 1.00 0.00 O ATOM 1684 CB MET A 107 -18.304 0.191 5.368 1.00 0.00 C ATOM 1685 CG MET A 107 -19.113 -0.731 4.478 1.00 0.00 C ATOM 1686 SD MET A 107 -20.792 -0.989 5.083 1.00 0.00 S ATOM 1687 CE MET A 107 -21.295 -2.369 4.060 1.00 0.00 C ATOM 0 H MET A 107 -17.674 1.734 7.270 1.00 0.00 H new ATOM 0 HA MET A 107 -19.367 -0.588 7.039 1.00 0.00 H new ATOM 0 HB2 MET A 107 -18.663 1.213 5.243 1.00 0.00 H new ATOM 0 HB3 MET A 107 -17.263 0.176 5.044 1.00 0.00 H new ATOM 0 HG2 MET A 107 -19.154 -0.314 3.472 1.00 0.00 H new ATOM 0 HG3 MET A 107 -18.607 -1.693 4.403 1.00 0.00 H new ATOM 0 HE1 MET A 107 -22.317 -2.654 4.310 1.00 0.00 H new ATOM 0 HE2 MET A 107 -21.245 -2.081 3.010 1.00 0.00 H new ATOM 0 HE3 MET A 107 -20.629 -3.214 4.236 1.00 0.00 H new ATOM 1697 N LYS A 108 -16.058 -0.796 7.313 1.00 0.00 N ATOM 1698 CA LYS A 108 -14.928 -1.682 7.607 1.00 0.00 C ATOM 1699 C LYS A 108 -15.228 -2.598 8.789 1.00 0.00 C ATOM 1700 O LYS A 108 -14.924 -3.789 8.757 1.00 0.00 O ATOM 1701 CB LYS A 108 -13.679 -0.840 7.891 1.00 0.00 C ATOM 1702 CG LYS A 108 -12.418 -1.659 8.087 1.00 0.00 C ATOM 1703 CD LYS A 108 -12.014 -1.716 9.549 1.00 0.00 C ATOM 1704 CE LYS A 108 -10.527 -1.470 9.719 1.00 0.00 C ATOM 1705 NZ LYS A 108 -9.938 -2.366 10.747 1.00 0.00 N ATOM 0 H LYS A 108 -15.794 0.185 7.225 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.753 -2.315 6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.525 -0.146 7.065 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -13.853 -0.239 8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -12.578 -2.670 7.713 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -11.607 -1.227 7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -12.575 -0.971 10.113 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -12.273 -2.691 9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -10.021 -1.626 8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -10.360 -0.431 10.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.977 -2.640 10.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.897 -1.868 11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -10.527 -3.218 10.844 1.00 0.00 H new ATOM 1719 N LYS A 109 -15.806 -2.024 9.827 1.00 0.00 N ATOM 1720 CA LYS A 109 -16.181 -2.791 11.024 1.00 0.00 C ATOM 1721 C LYS A 109 -17.154 -3.896 10.655 1.00 0.00 C ATOM 1722 O LYS A 109 -16.913 -5.067 10.948 1.00 0.00 O ATOM 1723 CB LYS A 109 -16.806 -1.890 12.095 1.00 0.00 C ATOM 1724 CG LYS A 109 -16.016 -0.627 12.387 1.00 0.00 C ATOM 1725 CD LYS A 109 -14.661 -0.935 13.002 1.00 0.00 C ATOM 1726 CE LYS A 109 -14.179 0.216 13.868 1.00 0.00 C ATOM 1727 NZ LYS A 109 -13.803 -0.220 15.240 1.00 0.00 N ATOM 0 H LYS A 109 -16.031 -1.030 9.876 1.00 0.00 H new ATOM 0 HA LYS A 109 -15.271 -3.228 11.435 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -17.811 -1.611 11.777 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -16.910 -2.461 13.018 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.876 -0.065 11.464 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -16.586 0.009 13.064 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.728 -1.842 13.602 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.935 -1.129 12.212 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.320 0.689 13.392 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.963 0.971 13.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.481 0.602 15.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.628 -0.647 15.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.036 -0.920 15.184 1.00 0.00 H new ATOM 1741 N ARG A 110 -18.245 -3.522 10.002 1.00 0.00 N ATOM 1742 CA ARG A 110 -19.234 -4.494 9.572 1.00 0.00 C ATOM 1743 C ARG A 110 -18.627 -5.389 8.505 1.00 0.00 C ATOM 1744 O ARG A 110 -18.945 -6.554 8.403 1.00 0.00 O ATOM 1745 CB ARG A 110 -20.469 -3.791 9.005 1.00 0.00 C ATOM 1746 CG ARG A 110 -21.539 -4.756 8.529 1.00 0.00 C ATOM 1747 CD ARG A 110 -22.937 -4.233 8.790 1.00 0.00 C ATOM 1748 NE ARG A 110 -23.951 -5.225 8.448 1.00 0.00 N ATOM 1749 CZ ARG A 110 -25.100 -5.371 9.098 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -25.394 -4.576 10.119 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -25.953 -6.311 8.719 1.00 0.00 N ATOM 0 H ARG A 110 -18.465 -2.556 9.760 1.00 0.00 H new ATOM 0 HA ARG A 110 -19.537 -5.092 10.432 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -20.891 -3.139 9.769 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -20.167 -3.154 8.174 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -21.414 -4.937 7.461 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -21.411 -5.715 9.032 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -23.034 -3.959 9.841 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -23.102 -3.326 8.208 1.00 0.00 H new ATOM 0 HE ARG A 110 -23.766 -5.846 7.660 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -24.737 -3.851 10.406 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -26.277 -4.690 10.616 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -25.726 -6.918 7.932 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -26.837 -6.428 9.215 1.00 0.00 H new ATOM 1765 N LEU A 111 -17.727 -4.812 7.745 1.00 0.00 N ATOM 1766 CA LEU A 111 -17.043 -5.480 6.659 1.00 0.00 C ATOM 1767 C LEU A 111 -16.176 -6.614 7.137 1.00 0.00 C ATOM 1768 O LEU A 111 -16.189 -7.679 6.548 1.00 0.00 O ATOM 1769 CB LEU A 111 -16.200 -4.467 5.891 1.00 0.00 C ATOM 1770 CG LEU A 111 -16.920 -3.833 4.723 1.00 0.00 C ATOM 1771 CD1 LEU A 111 -16.156 -2.631 4.196 1.00 0.00 C ATOM 1772 CD2 LEU A 111 -17.166 -4.822 3.611 1.00 0.00 C ATOM 0 H LEU A 111 -17.442 -3.840 7.866 1.00 0.00 H new ATOM 0 HA LEU A 111 -17.802 -5.911 6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.878 -3.683 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.299 -4.961 5.526 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.889 -3.496 5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -16.697 -2.195 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -16.055 -1.888 4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -15.166 -2.945 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -17.685 -4.326 2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -16.213 -5.212 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.778 -5.644 3.984 1.00 0.00 H new ATOM 1784 N ALA A 112 -15.430 -6.409 8.200 1.00 0.00 N ATOM 1785 CA ALA A 112 -14.576 -7.467 8.694 1.00 0.00 C ATOM 1786 C ALA A 112 -15.415 -8.539 9.358 1.00 0.00 C ATOM 1787 O ALA A 112 -14.936 -9.627 9.661 1.00 0.00 O ATOM 1788 CB ALA A 112 -13.521 -6.918 9.640 1.00 0.00 C ATOM 0 H ALA A 112 -15.396 -5.538 8.730 1.00 0.00 H new ATOM 0 HA ALA A 112 -14.050 -7.917 7.852 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.892 -7.734 9.997 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.905 -6.189 9.114 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.008 -6.437 10.488 1.00 0.00 H new ATOM 1794 N ASN A 113 -16.675 -8.207 9.581 1.00 0.00 N ATOM 1795 CA ASN A 113 -17.615 -9.127 10.177 1.00 0.00 C ATOM 1796 C ASN A 113 -18.472 -9.785 9.090 1.00 0.00 C ATOM 1797 O ASN A 113 -18.869 -10.942 9.211 1.00 0.00 O ATOM 1798 CB ASN A 113 -18.496 -8.387 11.188 1.00 0.00 C ATOM 1799 CG ASN A 113 -17.847 -8.260 12.553 1.00 0.00 C ATOM 1800 OD1 ASN A 113 -17.929 -9.166 13.385 1.00 0.00 O ATOM 1801 ND2 ASN A 113 -17.205 -7.130 12.799 1.00 0.00 N ATOM 0 H ASN A 113 -17.069 -7.294 9.353 1.00 0.00 H new ATOM 0 HA ASN A 113 -17.067 -9.910 10.701 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -18.723 -7.392 10.805 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -19.445 -8.914 11.290 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -16.756 -6.985 13.703 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -17.159 -6.404 12.084 1.00 0.00 H new ATOM 1808 N GLU A 114 -18.731 -9.039 8.013 1.00 0.00 N ATOM 1809 CA GLU A 114 -19.552 -9.524 6.905 1.00 0.00 C ATOM 1810 C GLU A 114 -18.712 -10.184 5.823 1.00 0.00 C ATOM 1811 O GLU A 114 -19.131 -11.182 5.238 1.00 0.00 O ATOM 1812 CB GLU A 114 -20.387 -8.398 6.302 1.00 0.00 C ATOM 1813 CG GLU A 114 -21.646 -8.095 7.096 1.00 0.00 C ATOM 1814 CD GLU A 114 -22.646 -7.265 6.322 1.00 0.00 C ATOM 1815 OE1 GLU A 114 -23.841 -7.284 6.687 1.00 0.00 O ATOM 1816 OE2 GLU A 114 -22.246 -6.581 5.359 1.00 0.00 O ATOM 0 H GLU A 114 -18.380 -8.090 7.886 1.00 0.00 H new ATOM 0 HA GLU A 114 -20.223 -10.277 7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -19.778 -7.496 6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -20.664 -8.666 5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -22.115 -9.032 7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -21.374 -7.568 8.010 1.00 0.00 H new ATOM 1823 N ALA A 115 -17.524 -9.650 5.545 1.00 0.00 N ATOM 1824 CA ALA A 115 -16.665 -10.266 4.540 1.00 0.00 C ATOM 1825 C ALA A 115 -16.030 -11.510 5.138 1.00 0.00 C ATOM 1826 O ALA A 115 -15.243 -12.208 4.502 1.00 0.00 O ATOM 1827 CB ALA A 115 -15.597 -9.295 4.054 1.00 0.00 C ATOM 0 H ALA A 115 -17.143 -8.814 5.989 1.00 0.00 H new ATOM 0 HA ALA A 115 -17.267 -10.540 3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -14.973 -9.785 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -16.074 -8.420 3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -14.978 -8.984 4.895 1.00 0.00 H new ATOM 1833 N LYS A 116 -16.398 -11.765 6.384 1.00 0.00 N ATOM 1834 CA LYS A 116 -15.894 -12.895 7.126 1.00 0.00 C ATOM 1835 C LYS A 116 -16.988 -13.955 7.317 1.00 0.00 C ATOM 1836 O LYS A 116 -16.691 -15.130 7.537 1.00 0.00 O ATOM 1837 CB LYS A 116 -15.336 -12.391 8.461 1.00 0.00 C ATOM 1838 CG LYS A 116 -16.196 -12.689 9.687 1.00 0.00 C ATOM 1839 CD LYS A 116 -15.396 -12.554 10.976 1.00 0.00 C ATOM 1840 CE LYS A 116 -14.225 -13.528 11.020 1.00 0.00 C ATOM 1841 NZ LYS A 116 -14.640 -14.883 11.473 1.00 0.00 N ATOM 0 H LYS A 116 -17.058 -11.188 6.905 1.00 0.00 H new ATOM 0 HA LYS A 116 -15.091 -13.380 6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -14.351 -12.833 8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -15.194 -11.312 8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.045 -12.006 9.712 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -16.600 -13.698 9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -15.024 -11.534 11.068 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -16.050 -12.733 11.830 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -13.776 -13.599 10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -13.458 -13.141 11.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -13.812 -15.513 11.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -15.045 -14.821 12.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -15.353 -15.264 10.819 1.00 0.00 H new ATOM 1855 N GLU A 117 -18.251 -13.536 7.228 1.00 0.00 N ATOM 1856 CA GLU A 117 -19.371 -14.465 7.376 1.00 0.00 C ATOM 1857 C GLU A 117 -19.722 -15.072 6.022 1.00 0.00 C ATOM 1858 O GLU A 117 -20.170 -16.218 5.936 1.00 0.00 O ATOM 1859 CB GLU A 117 -20.604 -13.773 7.979 1.00 0.00 C ATOM 1860 CG GLU A 117 -20.971 -12.465 7.295 1.00 0.00 C ATOM 1861 CD GLU A 117 -22.447 -12.349 6.967 1.00 0.00 C ATOM 1862 OE1 GLU A 117 -22.825 -12.604 5.802 1.00 0.00 O ATOM 1863 OE2 GLU A 117 -23.235 -11.980 7.863 1.00 0.00 O ATOM 0 H GLU A 117 -18.522 -12.568 7.056 1.00 0.00 H new ATOM 0 HA GLU A 117 -19.065 -15.255 8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -21.454 -14.453 7.922 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -20.420 -13.580 9.036 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -20.683 -11.634 7.939 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -20.394 -12.370 6.375 1.00 0.00 H new ATOM 1870 N ALA A 118 -19.498 -14.298 4.970 1.00 0.00 N ATOM 1871 CA ALA A 118 -19.781 -14.739 3.615 1.00 0.00 C ATOM 1872 C ALA A 118 -18.490 -14.839 2.806 1.00 0.00 C ATOM 1873 O ALA A 118 -17.408 -14.989 3.373 1.00 0.00 O ATOM 1874 CB ALA A 118 -20.760 -13.782 2.957 1.00 0.00 C ATOM 0 H ALA A 118 -19.118 -13.354 5.032 1.00 0.00 H new ATOM 0 HA ALA A 118 -20.233 -15.730 3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -20.969 -14.117 1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -21.687 -13.759 3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -20.327 -12.782 2.928 1.00 0.00 H new ATOM 1880 N LYS A 119 -18.604 -14.754 1.485 1.00 0.00 N ATOM 1881 CA LYS A 119 -17.443 -14.840 0.610 1.00 0.00 C ATOM 1882 C LYS A 119 -17.703 -14.094 -0.693 1.00 0.00 C ATOM 1883 O LYS A 119 -17.799 -14.693 -1.768 1.00 0.00 O ATOM 1884 CB LYS A 119 -17.101 -16.304 0.328 1.00 0.00 C ATOM 1885 CG LYS A 119 -15.631 -16.535 0.016 1.00 0.00 C ATOM 1886 CD LYS A 119 -15.265 -18.004 0.133 1.00 0.00 C ATOM 1887 CE LYS A 119 -15.456 -18.509 1.557 1.00 0.00 C ATOM 1888 NZ LYS A 119 -15.514 -19.992 1.621 1.00 0.00 N ATOM 0 H LYS A 119 -19.491 -14.625 0.997 1.00 0.00 H new ATOM 0 HA LYS A 119 -16.594 -14.374 1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -17.380 -16.907 1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -17.702 -16.654 -0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.412 -16.183 -0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.016 -15.949 0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -15.881 -18.590 -0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.228 -18.148 -0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -14.637 -18.151 2.181 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -16.375 -18.093 1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -15.645 -20.292 2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.311 -20.333 1.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -14.627 -20.390 1.253 1.00 0.00 H new ATOM 1902 N LYS A 120 -17.828 -12.779 -0.584 1.00 0.00 N ATOM 1903 CA LYS A 120 -18.082 -11.928 -1.735 1.00 0.00 C ATOM 1904 C LYS A 120 -17.462 -10.554 -1.510 1.00 0.00 C ATOM 1905 O LYS A 120 -16.426 -10.257 -2.143 1.00 0.00 O ATOM 1906 CB LYS A 120 -19.594 -11.802 -1.967 1.00 0.00 C ATOM 1907 CG LYS A 120 -19.986 -10.711 -2.956 1.00 0.00 C ATOM 1908 CD LYS A 120 -21.326 -10.083 -2.588 1.00 0.00 C ATOM 1909 CE LYS A 120 -21.165 -8.930 -1.600 1.00 0.00 C ATOM 1910 NZ LYS A 120 -20.619 -9.373 -0.287 1.00 0.00 N ATOM 1911 OXT LYS A 120 -18.015 -9.792 -0.688 1.00 0.00 O ATOM 0 H LYS A 120 -17.757 -12.275 0.300 1.00 0.00 H new ATOM 0 HA LYS A 120 -17.629 -12.375 -2.620 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -19.976 -12.757 -2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -20.081 -11.603 -1.012 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -19.215 -9.941 -2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -20.043 -11.131 -3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -21.817 -9.721 -3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -21.976 -10.843 -2.155 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -20.503 -8.178 -2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -22.132 -8.452 -1.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -20.703 -8.599 0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -21.155 -10.198 0.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -19.618 -9.632 -0.397 1.00 0.00 H new TER 1925 LYS A 120