USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 723 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 64 SER OG : rot 162:sc= 2.24 USER MOD Set 1.2: A 67 SER OG : rot 59:sc= 1.23 USER MOD Single : A 1 MET CE :methyl 143:sc= 0 (180deg=-0.0297) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0789 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 1.93 K(o=1.9,f=-0.0084) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 1.58 K(o=1.6,f=-0.58) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 1.08 K(o=1.1,f=-1.2) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 0.734 (180deg=0.63) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= 1.25 (180deg=0.949) USER MOD Single : A 36 ASN : amide:sc= 1.15 K(o=1.2,f=-0.94) USER MOD Single : A 51 ASN : amide:sc= 0.972 K(o=0.97,f=-5.1!) USER MOD Single : A 54 GLN : amide:sc= 0.0198 X(o=0.02,f=0) USER MOD Single : A 55 SER OG : rot 82:sc= 1.18 USER MOD Single : A 61 LYS NZ :NH3+ 162:sc= 1.28 (180deg=1.24) USER MOD Single : A 62 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0267 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0.00685 USER MOD Single : A 83 HIS : no HD1:sc= 0.0389 K(o=0.039,f=-6.4!) USER MOD Single : A 84 HIS : no HE2:sc= 0.624 K(o=0.62,f=-2.5!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.801 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.731 -12.466 -0.281 1.00 0.00 N ATOM 2 CA MET A 1 -4.906 -13.208 0.708 1.00 0.00 C ATOM 3 C MET A 1 -5.735 -13.541 1.957 1.00 0.00 C ATOM 4 O MET A 1 -6.765 -12.921 2.226 1.00 0.00 O ATOM 5 CB MET A 1 -3.622 -12.442 1.103 1.00 0.00 C ATOM 6 CG MET A 1 -2.527 -12.469 0.026 1.00 0.00 C ATOM 7 SD MET A 1 -1.053 -11.465 0.401 1.00 0.00 S ATOM 8 CE MET A 1 -0.367 -12.321 1.850 1.00 0.00 C ATOM 0 H1 MET A 1 -5.890 -13.063 -1.118 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.646 -12.218 0.147 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.235 -11.597 -0.565 1.00 0.00 H new ATOM 0 HA MET A 1 -4.591 -14.134 0.228 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.881 -11.405 1.319 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.224 -12.869 2.023 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.215 -13.502 -0.128 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.955 -12.122 -0.915 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.722 -12.306 1.800 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.696 -11.818 2.759 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.715 -13.354 1.861 1.00 0.00 H new ATOM 20 N LEU A 2 -5.273 -14.526 2.729 1.00 0.00 N ATOM 21 CA LEU A 2 -5.886 -15.058 3.942 1.00 0.00 C ATOM 22 C LEU A 2 -4.744 -15.342 4.930 1.00 0.00 C ATOM 23 O LEU A 2 -3.587 -15.437 4.502 1.00 0.00 O ATOM 24 CB LEU A 2 -6.630 -16.349 3.537 1.00 0.00 C ATOM 25 CG LEU A 2 -7.538 -16.984 4.606 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.784 -16.128 4.851 1.00 0.00 C ATOM 27 CD2 LEU A 2 -7.984 -18.372 4.137 1.00 0.00 C ATOM 0 H LEU A 2 -4.400 -15.004 2.506 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.595 -14.375 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -7.238 -16.131 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.889 -17.089 3.236 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.970 -17.056 5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.407 -16.601 5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.484 -15.138 5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.350 -16.035 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -8.627 -18.822 4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.534 -18.280 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -7.108 -19.003 3.983 1.00 0.00 H new ATOM 39 N GLN A 3 -5.049 -15.502 6.222 1.00 0.00 N ATOM 40 CA GLN A 3 -4.096 -15.895 7.259 1.00 0.00 C ATOM 41 C GLN A 3 -4.545 -17.237 7.837 1.00 0.00 C ATOM 42 O GLN A 3 -5.732 -17.410 8.117 1.00 0.00 O ATOM 43 CB GLN A 3 -4.075 -14.827 8.368 1.00 0.00 C ATOM 44 CG GLN A 3 -3.034 -15.075 9.472 1.00 0.00 C ATOM 45 CD GLN A 3 -3.141 -14.032 10.591 1.00 0.00 C ATOM 46 OE1 GLN A 3 -3.995 -14.131 11.469 1.00 0.00 O ATOM 47 NE2 GLN A 3 -2.283 -13.027 10.599 1.00 0.00 N ATOM 0 H GLN A 3 -5.992 -15.357 6.583 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.094 -15.986 6.840 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.881 -13.855 7.915 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -5.064 -14.775 8.824 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.175 -16.072 9.888 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.033 -15.047 9.042 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.577 -12.953 9.866 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.326 -12.325 11.338 1.00 0.00 H new ATOM 56 N TYR A 4 -3.599 -18.143 8.086 1.00 0.00 N ATOM 57 CA TYR A 4 -3.765 -19.341 8.902 1.00 0.00 C ATOM 58 C TYR A 4 -2.836 -19.222 10.115 1.00 0.00 C ATOM 59 O TYR A 4 -1.767 -18.608 10.039 1.00 0.00 O ATOM 60 CB TYR A 4 -3.386 -20.620 8.120 1.00 0.00 C ATOM 61 CG TYR A 4 -4.417 -21.275 7.206 1.00 0.00 C ATOM 62 CD1 TYR A 4 -5.569 -20.605 6.747 1.00 0.00 C ATOM 63 CD2 TYR A 4 -4.207 -22.614 6.821 1.00 0.00 C ATOM 64 CE1 TYR A 4 -6.504 -21.268 5.935 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.129 -23.281 5.995 1.00 0.00 C ATOM 66 CZ TYR A 4 -6.292 -22.611 5.556 1.00 0.00 C ATOM 67 OH TYR A 4 -7.216 -23.245 4.781 1.00 0.00 O ATOM 0 H TYR A 4 -2.656 -18.056 7.707 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.811 -19.419 9.198 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.513 -20.384 7.511 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.074 -21.368 8.849 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.734 -19.574 7.022 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.326 -23.135 7.165 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.389 -20.748 5.599 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.948 -24.303 5.697 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.922 -24.164 4.607 1.00 0.00 H new ATOM 77 N ARG A 5 -3.197 -19.907 11.198 1.00 0.00 N ATOM 78 CA ARG A 5 -2.302 -20.302 12.281 1.00 0.00 C ATOM 79 C ARG A 5 -2.429 -21.816 12.358 1.00 0.00 C ATOM 80 O ARG A 5 -3.534 -22.340 12.207 1.00 0.00 O ATOM 81 CB ARG A 5 -2.719 -19.630 13.602 1.00 0.00 C ATOM 82 CG ARG A 5 -1.673 -19.803 14.722 1.00 0.00 C ATOM 83 CD ARG A 5 -2.276 -19.402 16.074 1.00 0.00 C ATOM 84 NE ARG A 5 -1.268 -19.350 17.150 1.00 0.00 N ATOM 85 CZ ARG A 5 -1.530 -19.358 18.464 1.00 0.00 C ATOM 86 NH1 ARG A 5 -2.780 -19.448 18.912 1.00 0.00 N ATOM 87 NH2 ARG A 5 -0.528 -19.275 19.330 1.00 0.00 N ATOM 0 H ARG A 5 -4.158 -20.213 11.350 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.271 -19.995 12.104 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.883 -18.567 13.427 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.670 -20.049 13.932 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.336 -20.839 14.758 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.797 -19.190 14.510 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.753 -18.426 15.980 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -3.056 -20.113 16.345 1.00 0.00 H new ATOM 0 HE ARG A 5 -0.288 -19.304 16.870 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.555 -19.512 18.252 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.963 -19.453 19.915 1.00 0.00 H new ATOM 0 HH21 ARG A 5 0.432 -19.206 18.994 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -0.718 -19.280 20.332 1.00 0.00 H new ATOM 101 N ILE A 6 -1.326 -22.521 12.564 1.00 0.00 N ATOM 102 CA ILE A 6 -1.282 -23.977 12.591 1.00 0.00 C ATOM 103 C ILE A 6 -0.516 -24.330 13.861 1.00 0.00 C ATOM 104 O ILE A 6 0.467 -23.664 14.195 1.00 0.00 O ATOM 105 CB ILE A 6 -0.611 -24.543 11.311 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.177 -23.941 9.997 1.00 0.00 C ATOM 107 CG2 ILE A 6 -0.709 -26.080 11.275 1.00 0.00 C ATOM 108 CD1 ILE A 6 -0.275 -24.165 8.777 1.00 0.00 C ATOM 0 H ILE A 6 -0.416 -22.088 12.721 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.278 -24.421 12.602 1.00 0.00 H new ATOM 0 HB ILE A 6 0.436 -24.245 11.366 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.156 -24.379 9.799 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.328 -22.870 10.134 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.232 -26.454 10.369 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.207 -26.497 12.148 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.757 -26.378 11.282 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.736 -23.717 7.897 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.696 -23.703 8.953 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.144 -25.235 8.613 1.00 0.00 H new ATOM 120 N ILE A 7 -0.944 -25.382 14.552 1.00 0.00 N ATOM 121 CA ILE A 7 -0.294 -25.911 15.742 1.00 0.00 C ATOM 122 C ILE A 7 -0.070 -27.395 15.448 1.00 0.00 C ATOM 123 O ILE A 7 -0.936 -28.033 14.841 1.00 0.00 O ATOM 124 CB ILE A 7 -1.169 -25.671 16.999 1.00 0.00 C ATOM 125 CG1 ILE A 7 -1.601 -24.196 17.206 1.00 0.00 C ATOM 126 CG2 ILE A 7 -0.464 -26.198 18.264 1.00 0.00 C ATOM 127 CD1 ILE A 7 -0.470 -23.206 17.510 1.00 0.00 C ATOM 0 H ILE A 7 -1.779 -25.905 14.289 1.00 0.00 H new ATOM 0 HA ILE A 7 0.652 -25.416 15.960 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.087 -26.232 16.822 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.121 -23.860 16.309 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.320 -24.159 18.024 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.096 -26.019 19.134 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.283 -27.268 18.161 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.486 -25.680 18.393 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.886 -22.206 17.636 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.039 -23.505 18.426 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.241 -23.202 16.684 1.00 0.00 H new ATOM 139 N VAL A 8 1.077 -27.944 15.848 1.00 0.00 N ATOM 140 CA VAL A 8 1.459 -29.320 15.526 1.00 0.00 C ATOM 141 C VAL A 8 2.044 -29.973 16.777 1.00 0.00 C ATOM 142 O VAL A 8 2.708 -29.293 17.561 1.00 0.00 O ATOM 143 CB VAL A 8 2.473 -29.361 14.354 1.00 0.00 C ATOM 144 CG1 VAL A 8 2.317 -30.677 13.578 1.00 0.00 C ATOM 145 CG2 VAL A 8 2.364 -28.200 13.348 1.00 0.00 C ATOM 0 H VAL A 8 1.770 -27.446 16.406 1.00 0.00 H new ATOM 0 HA VAL A 8 0.576 -29.873 15.204 1.00 0.00 H new ATOM 0 HB VAL A 8 3.450 -29.270 14.830 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.032 -30.701 12.755 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.504 -31.518 14.246 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.304 -30.747 13.181 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.116 -28.322 12.569 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.371 -28.201 12.898 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.527 -27.254 13.865 1.00 0.00 H new ATOM 155 N ASP A 9 1.839 -31.280 16.948 1.00 0.00 N ATOM 156 CA ASP A 9 2.358 -32.068 18.063 1.00 0.00 C ATOM 157 C ASP A 9 2.788 -33.449 17.563 1.00 0.00 C ATOM 158 O ASP A 9 2.339 -33.898 16.504 1.00 0.00 O ATOM 159 CB ASP A 9 1.282 -32.218 19.147 1.00 0.00 C ATOM 160 CG ASP A 9 1.817 -32.897 20.422 1.00 0.00 C ATOM 161 OD1 ASP A 9 3.009 -32.725 20.758 1.00 0.00 O ATOM 162 OD2 ASP A 9 1.030 -33.590 21.105 1.00 0.00 O ATOM 0 H ASP A 9 1.289 -31.835 16.292 1.00 0.00 H new ATOM 0 HA ASP A 9 3.220 -31.556 18.490 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.888 -31.234 19.402 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.451 -32.801 18.751 1.00 0.00 H new ATOM 167 N GLY A 10 3.673 -34.110 18.306 1.00 0.00 N ATOM 168 CA GLY A 10 4.275 -35.395 17.976 1.00 0.00 C ATOM 169 C GLY A 10 5.774 -35.333 18.237 1.00 0.00 C ATOM 170 O GLY A 10 6.244 -34.462 18.976 1.00 0.00 O ATOM 0 H GLY A 10 4.005 -33.744 19.198 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.823 -36.185 18.575 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.086 -35.640 16.931 1.00 0.00 H new ATOM 174 N ARG A 11 6.553 -36.207 17.592 1.00 0.00 N ATOM 175 CA ARG A 11 7.974 -35.932 17.391 1.00 0.00 C ATOM 176 C ARG A 11 8.043 -34.883 16.284 1.00 0.00 C ATOM 177 O ARG A 11 8.085 -35.228 15.103 1.00 0.00 O ATOM 178 CB ARG A 11 8.763 -37.219 17.082 1.00 0.00 C ATOM 179 CG ARG A 11 10.262 -36.986 16.811 1.00 0.00 C ATOM 180 CD ARG A 11 11.034 -36.338 17.975 1.00 0.00 C ATOM 181 NE ARG A 11 12.410 -35.984 17.581 1.00 0.00 N ATOM 182 CZ ARG A 11 13.457 -36.817 17.502 1.00 0.00 C ATOM 183 NH1 ARG A 11 13.353 -38.078 17.915 1.00 0.00 N ATOM 184 NH2 ARG A 11 14.611 -36.387 17.001 1.00 0.00 N ATOM 0 H ARG A 11 6.229 -37.094 17.207 1.00 0.00 H new ATOM 0 HA ARG A 11 8.449 -35.547 18.293 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.659 -37.907 17.921 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.319 -37.706 16.214 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.727 -37.943 16.573 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.364 -36.354 15.929 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.508 -35.443 18.308 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.062 -37.025 18.821 1.00 0.00 H new ATOM 0 HE ARG A 11 12.582 -35.007 17.345 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.470 -38.419 18.296 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.156 -38.704 17.850 1.00 0.00 H new ATOM 0 HH21 ARG A 11 14.699 -35.424 16.677 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.408 -37.020 16.941 1.00 0.00 H new ATOM 198 N VAL A 12 7.989 -33.610 16.666 1.00 0.00 N ATOM 199 CA VAL A 12 7.927 -32.474 15.747 1.00 0.00 C ATOM 200 C VAL A 12 8.999 -31.432 16.097 1.00 0.00 C ATOM 201 O VAL A 12 8.896 -30.277 15.695 1.00 0.00 O ATOM 202 CB VAL A 12 6.489 -31.902 15.701 1.00 0.00 C ATOM 203 CG1 VAL A 12 5.504 -32.936 15.136 1.00 0.00 C ATOM 204 CG2 VAL A 12 5.968 -31.422 17.066 1.00 0.00 C ATOM 0 H VAL A 12 7.987 -33.331 17.647 1.00 0.00 H new ATOM 0 HA VAL A 12 8.157 -32.806 14.735 1.00 0.00 H new ATOM 0 HB VAL A 12 6.550 -31.032 15.047 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.501 -32.509 15.114 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.804 -33.209 14.124 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.507 -33.824 15.768 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.955 -31.035 16.953 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.962 -32.257 17.767 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.617 -30.634 17.447 1.00 0.00 H new ATOM 214 N GLN A 13 10.031 -31.825 16.851 1.00 0.00 N ATOM 215 CA GLN A 13 11.173 -30.985 17.184 1.00 0.00 C ATOM 216 C GLN A 13 12.428 -31.851 17.101 1.00 0.00 C ATOM 217 O GLN A 13 12.360 -33.067 17.333 1.00 0.00 O ATOM 218 CB GLN A 13 11.039 -30.401 18.601 1.00 0.00 C ATOM 219 CG GLN A 13 9.800 -29.513 18.811 1.00 0.00 C ATOM 220 CD GLN A 13 9.830 -28.742 20.137 1.00 0.00 C ATOM 221 OE1 GLN A 13 10.722 -28.891 20.970 1.00 0.00 O ATOM 222 NE2 GLN A 13 8.853 -27.882 20.371 1.00 0.00 N ATOM 0 H GLN A 13 10.091 -32.760 17.254 1.00 0.00 H new ATOM 0 HA GLN A 13 11.227 -30.149 16.486 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.007 -31.222 19.317 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.931 -29.817 18.825 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.725 -28.804 17.987 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.905 -30.135 18.779 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.110 -27.754 19.683 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.842 -27.346 21.239 1.00 0.00 H new ATOM 231 N GLY A 14 13.568 -31.236 16.805 1.00 0.00 N ATOM 232 CA GLY A 14 14.822 -31.942 16.606 1.00 0.00 C ATOM 233 C GLY A 14 14.725 -32.890 15.413 1.00 0.00 C ATOM 234 O GLY A 14 15.152 -34.041 15.520 1.00 0.00 O ATOM 0 H GLY A 14 13.645 -30.225 16.696 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.627 -31.225 16.442 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.075 -32.505 17.505 1.00 0.00 H new ATOM 238 N VAL A 15 14.108 -32.443 14.318 1.00 0.00 N ATOM 239 CA VAL A 15 13.838 -33.225 13.107 1.00 0.00 C ATOM 240 C VAL A 15 14.005 -32.384 11.826 1.00 0.00 C ATOM 241 O VAL A 15 13.732 -32.883 10.732 1.00 0.00 O ATOM 242 CB VAL A 15 12.441 -33.891 13.184 1.00 0.00 C ATOM 243 CG1 VAL A 15 12.383 -34.989 14.249 1.00 0.00 C ATOM 244 CG2 VAL A 15 11.297 -32.898 13.427 1.00 0.00 C ATOM 0 H VAL A 15 13.767 -31.484 14.246 1.00 0.00 H new ATOM 0 HA VAL A 15 14.583 -34.019 13.053 1.00 0.00 H new ATOM 0 HB VAL A 15 12.296 -34.332 12.198 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.385 -35.427 14.266 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.114 -35.762 14.014 1.00 0.00 H new ATOM 0 HG13 VAL A 15 12.608 -34.561 15.226 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.350 -33.437 13.469 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.461 -32.378 14.371 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.266 -32.173 12.614 1.00 0.00 H new ATOM 254 N GLY A 16 14.449 -31.129 11.928 1.00 0.00 N ATOM 255 CA GLY A 16 14.500 -30.190 10.826 1.00 0.00 C ATOM 256 C GLY A 16 13.127 -29.557 10.609 1.00 0.00 C ATOM 257 O GLY A 16 12.826 -29.184 9.475 1.00 0.00 O ATOM 0 H GLY A 16 14.790 -30.736 12.806 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.237 -29.415 11.033 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.821 -30.701 9.918 1.00 0.00 H new ATOM 261 N PHE A 17 12.266 -29.487 11.630 1.00 0.00 N ATOM 262 CA PHE A 17 10.875 -29.089 11.445 1.00 0.00 C ATOM 263 C PHE A 17 10.788 -27.632 10.995 1.00 0.00 C ATOM 264 O PHE A 17 10.126 -27.343 9.997 1.00 0.00 O ATOM 265 CB PHE A 17 10.031 -29.316 12.709 1.00 0.00 C ATOM 266 CG PHE A 17 8.563 -29.555 12.395 1.00 0.00 C ATOM 267 CD1 PHE A 17 7.714 -28.490 12.033 1.00 0.00 C ATOM 268 CD2 PHE A 17 8.050 -30.864 12.419 1.00 0.00 C ATOM 269 CE1 PHE A 17 6.372 -28.740 11.687 1.00 0.00 C ATOM 270 CE2 PHE A 17 6.715 -31.117 12.066 1.00 0.00 C ATOM 271 CZ PHE A 17 5.874 -30.056 11.693 1.00 0.00 C ATOM 0 H PHE A 17 12.514 -29.703 12.596 1.00 0.00 H new ATOM 0 HA PHE A 17 10.460 -29.726 10.663 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.426 -30.172 13.257 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.123 -28.449 13.363 1.00 0.00 H new ATOM 0 HD1 PHE A 17 8.094 -27.479 12.021 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.690 -31.683 12.712 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.724 -27.920 11.416 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.335 -32.128 12.081 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.849 -30.249 11.412 1.00 0.00 H new ATOM 281 N ARG A 18 11.458 -26.702 11.684 1.00 0.00 N ATOM 282 CA ARG A 18 11.376 -25.285 11.325 1.00 0.00 C ATOM 283 C ARG A 18 11.933 -25.055 9.920 1.00 0.00 C ATOM 284 O ARG A 18 11.347 -24.291 9.155 1.00 0.00 O ATOM 285 CB ARG A 18 12.097 -24.441 12.389 1.00 0.00 C ATOM 286 CG ARG A 18 11.306 -24.401 13.713 1.00 0.00 C ATOM 287 CD ARG A 18 12.134 -23.919 14.907 1.00 0.00 C ATOM 288 NE ARG A 18 13.171 -24.891 15.259 1.00 0.00 N ATOM 289 CZ ARG A 18 14.127 -24.714 16.168 1.00 0.00 C ATOM 290 NH1 ARG A 18 14.109 -23.653 16.976 1.00 0.00 N ATOM 291 NH2 ARG A 18 15.111 -25.597 16.250 1.00 0.00 N ATOM 0 H ARG A 18 12.057 -26.903 12.485 1.00 0.00 H new ATOM 0 HA ARG A 18 10.333 -24.970 11.304 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.090 -24.853 12.570 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.236 -23.426 12.017 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.443 -23.746 13.592 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.921 -25.398 13.927 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.596 -22.961 14.670 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.480 -23.754 15.764 1.00 0.00 H new ATOM 0 HE ARG A 18 13.160 -25.783 14.764 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.358 -22.967 16.901 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.847 -23.527 17.669 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.129 -26.400 15.621 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.850 -25.474 16.942 1.00 0.00 H new ATOM 305 N TYR A 19 13.014 -25.745 9.547 1.00 0.00 N ATOM 306 CA TYR A 19 13.590 -25.655 8.214 1.00 0.00 C ATOM 307 C TYR A 19 12.650 -26.241 7.160 1.00 0.00 C ATOM 308 O TYR A 19 12.472 -25.632 6.108 1.00 0.00 O ATOM 309 CB TYR A 19 14.956 -26.347 8.203 1.00 0.00 C ATOM 310 CG TYR A 19 16.030 -25.535 8.904 1.00 0.00 C ATOM 311 CD1 TYR A 19 16.654 -24.470 8.225 1.00 0.00 C ATOM 312 CD2 TYR A 19 16.377 -25.810 10.242 1.00 0.00 C ATOM 313 CE1 TYR A 19 17.617 -23.680 8.876 1.00 0.00 C ATOM 314 CE2 TYR A 19 17.341 -25.024 10.900 1.00 0.00 C ATOM 315 CZ TYR A 19 17.964 -23.952 10.219 1.00 0.00 C ATOM 316 OH TYR A 19 18.897 -23.177 10.843 1.00 0.00 O ATOM 0 H TYR A 19 13.512 -26.383 10.168 1.00 0.00 H new ATOM 0 HA TYR A 19 13.729 -24.605 7.957 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.869 -27.321 8.686 1.00 0.00 H new ATOM 0 HB3 TYR A 19 15.259 -26.528 7.172 1.00 0.00 H new ATOM 0 HD1 TYR A 19 16.391 -24.260 7.199 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.901 -26.627 10.764 1.00 0.00 H new ATOM 0 HE1 TYR A 19 18.092 -22.865 8.350 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.605 -25.239 11.925 1.00 0.00 H new ATOM 0 HH TYR A 19 19.022 -23.492 11.762 1.00 0.00 H new ATOM 326 N PHE A 20 12.010 -27.380 7.434 1.00 0.00 N ATOM 327 CA PHE A 20 11.019 -27.961 6.538 1.00 0.00 C ATOM 328 C PHE A 20 9.888 -26.960 6.293 1.00 0.00 C ATOM 329 O PHE A 20 9.564 -26.683 5.141 1.00 0.00 O ATOM 330 CB PHE A 20 10.501 -29.285 7.119 1.00 0.00 C ATOM 331 CG PHE A 20 9.302 -29.869 6.394 1.00 0.00 C ATOM 332 CD1 PHE A 20 9.477 -30.563 5.181 1.00 0.00 C ATOM 333 CD2 PHE A 20 8.009 -29.724 6.936 1.00 0.00 C ATOM 334 CE1 PHE A 20 8.368 -31.125 4.524 1.00 0.00 C ATOM 335 CE2 PHE A 20 6.899 -30.276 6.271 1.00 0.00 C ATOM 336 CZ PHE A 20 7.080 -30.984 5.071 1.00 0.00 C ATOM 0 H PHE A 20 12.167 -27.922 8.284 1.00 0.00 H new ATOM 0 HA PHE A 20 11.477 -28.182 5.574 1.00 0.00 H new ATOM 0 HB2 PHE A 20 11.310 -30.015 7.102 1.00 0.00 H new ATOM 0 HB3 PHE A 20 10.236 -29.128 8.164 1.00 0.00 H new ATOM 0 HD1 PHE A 20 10.464 -30.664 4.755 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.870 -29.188 7.863 1.00 0.00 H new ATOM 0 HE1 PHE A 20 8.505 -31.665 3.599 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.908 -30.156 6.683 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.229 -31.420 4.568 1.00 0.00 H new ATOM 346 N VAL A 21 9.333 -26.363 7.348 1.00 0.00 N ATOM 347 CA VAL A 21 8.258 -25.386 7.223 1.00 0.00 C ATOM 348 C VAL A 21 8.735 -24.162 6.426 1.00 0.00 C ATOM 349 O VAL A 21 8.005 -23.696 5.551 1.00 0.00 O ATOM 350 CB VAL A 21 7.719 -25.041 8.626 1.00 0.00 C ATOM 351 CG1 VAL A 21 6.666 -23.930 8.590 1.00 0.00 C ATOM 352 CG2 VAL A 21 7.041 -26.263 9.269 1.00 0.00 C ATOM 0 H VAL A 21 9.617 -26.545 8.311 1.00 0.00 H new ATOM 0 HA VAL A 21 7.426 -25.803 6.655 1.00 0.00 H new ATOM 0 HB VAL A 21 8.587 -24.715 9.200 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.319 -23.725 9.603 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.105 -23.026 8.167 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.824 -24.247 7.975 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.669 -25.994 10.258 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.209 -26.588 8.644 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.764 -27.074 9.361 1.00 0.00 H new ATOM 362 N GLN A 22 9.960 -23.675 6.659 1.00 0.00 N ATOM 363 CA GLN A 22 10.540 -22.570 5.902 1.00 0.00 C ATOM 364 C GLN A 22 10.550 -22.906 4.407 1.00 0.00 C ATOM 365 O GLN A 22 10.118 -22.091 3.592 1.00 0.00 O ATOM 366 CB GLN A 22 11.952 -22.276 6.441 1.00 0.00 C ATOM 367 CG GLN A 22 12.634 -21.071 5.772 1.00 0.00 C ATOM 368 CD GLN A 22 12.066 -19.705 6.162 1.00 0.00 C ATOM 369 OE1 GLN A 22 11.389 -19.541 7.171 1.00 0.00 O ATOM 370 NE2 GLN A 22 12.339 -18.680 5.373 1.00 0.00 N ATOM 0 H GLN A 22 10.577 -24.042 7.384 1.00 0.00 H new ATOM 0 HA GLN A 22 9.937 -21.670 6.025 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.891 -22.097 7.514 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.576 -23.159 6.300 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.695 -21.090 6.020 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.557 -21.184 4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.902 -18.818 4.534 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.986 -17.751 5.603 1.00 0.00 H new ATOM 379 N MET A 23 11.016 -24.099 4.037 1.00 0.00 N ATOM 380 CA MET A 23 11.142 -24.486 2.634 1.00 0.00 C ATOM 381 C MET A 23 9.770 -24.741 2.006 1.00 0.00 C ATOM 382 O MET A 23 9.555 -24.380 0.850 1.00 0.00 O ATOM 383 CB MET A 23 12.021 -25.740 2.512 1.00 0.00 C ATOM 384 CG MET A 23 13.475 -25.472 2.921 1.00 0.00 C ATOM 385 SD MET A 23 14.506 -26.964 2.985 1.00 0.00 S ATOM 386 CE MET A 23 15.998 -26.256 3.733 1.00 0.00 C ATOM 0 H MET A 23 11.314 -24.818 4.696 1.00 0.00 H new ATOM 0 HA MET A 23 11.612 -23.664 2.095 1.00 0.00 H new ATOM 0 HB2 MET A 23 11.610 -26.532 3.138 1.00 0.00 H new ATOM 0 HB3 MET A 23 11.995 -26.101 1.484 1.00 0.00 H new ATOM 0 HG2 MET A 23 13.916 -24.767 2.217 1.00 0.00 H new ATOM 0 HG3 MET A 23 13.485 -24.993 3.900 1.00 0.00 H new ATOM 0 HE1 MET A 23 16.751 -27.035 3.851 1.00 0.00 H new ATOM 0 HE2 MET A 23 16.389 -25.468 3.089 1.00 0.00 H new ATOM 0 HE3 MET A 23 15.752 -25.838 4.709 1.00 0.00 H new ATOM 396 N GLU A 24 8.822 -25.326 2.742 1.00 0.00 N ATOM 397 CA GLU A 24 7.484 -25.585 2.231 1.00 0.00 C ATOM 398 C GLU A 24 6.707 -24.284 2.030 1.00 0.00 C ATOM 399 O GLU A 24 5.903 -24.197 1.099 1.00 0.00 O ATOM 400 CB GLU A 24 6.731 -26.538 3.171 1.00 0.00 C ATOM 401 CG GLU A 24 7.226 -27.991 3.101 1.00 0.00 C ATOM 402 CD GLU A 24 7.044 -28.599 1.704 1.00 0.00 C ATOM 403 OE1 GLU A 24 5.948 -29.120 1.395 1.00 0.00 O ATOM 404 OE2 GLU A 24 7.966 -28.509 0.861 1.00 0.00 O ATOM 0 H GLU A 24 8.965 -25.631 3.705 1.00 0.00 H new ATOM 0 HA GLU A 24 7.577 -26.064 1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.830 -26.178 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.669 -26.513 2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.280 -28.028 3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.684 -28.593 3.831 1.00 0.00 H new ATOM 411 N ALA A 25 6.963 -23.261 2.850 1.00 0.00 N ATOM 412 CA ALA A 25 6.450 -21.925 2.607 1.00 0.00 C ATOM 413 C ALA A 25 7.118 -21.330 1.367 1.00 0.00 C ATOM 414 O ALA A 25 6.432 -20.766 0.514 1.00 0.00 O ATOM 415 CB ALA A 25 6.704 -21.036 3.826 1.00 0.00 C ATOM 0 H ALA A 25 7.529 -23.342 3.694 1.00 0.00 H new ATOM 0 HA ALA A 25 5.375 -21.981 2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.316 -20.036 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.202 -21.459 4.696 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.776 -20.979 4.018 1.00 0.00 H new ATOM 421 N ASP A 26 8.444 -21.471 1.255 1.00 0.00 N ATOM 422 CA ASP A 26 9.245 -20.855 0.202 1.00 0.00 C ATOM 423 C ASP A 26 8.814 -21.346 -1.174 1.00 0.00 C ATOM 424 O ASP A 26 8.562 -20.539 -2.070 1.00 0.00 O ATOM 425 CB ASP A 26 10.735 -21.170 0.397 1.00 0.00 C ATOM 426 CG ASP A 26 11.576 -20.438 -0.662 1.00 0.00 C ATOM 427 OD1 ASP A 26 11.768 -19.209 -0.543 1.00 0.00 O ATOM 428 OD2 ASP A 26 12.062 -21.093 -1.611 1.00 0.00 O ATOM 0 H ASP A 26 8.996 -22.027 1.908 1.00 0.00 H new ATOM 0 HA ASP A 26 9.088 -19.778 0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.050 -20.867 1.395 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.900 -22.245 0.323 1.00 0.00 H new ATOM 433 N LYS A 27 8.655 -22.667 -1.331 1.00 0.00 N ATOM 434 CA LYS A 27 8.318 -23.270 -2.622 1.00 0.00 C ATOM 435 C LYS A 27 6.920 -22.896 -3.116 1.00 0.00 C ATOM 436 O LYS A 27 6.609 -23.155 -4.278 1.00 0.00 O ATOM 437 CB LYS A 27 8.582 -24.791 -2.604 1.00 0.00 C ATOM 438 CG LYS A 27 7.673 -25.641 -1.700 1.00 0.00 C ATOM 439 CD LYS A 27 6.357 -26.089 -2.362 1.00 0.00 C ATOM 440 CE LYS A 27 5.525 -26.985 -1.434 1.00 0.00 C ATOM 441 NZ LYS A 27 6.137 -28.320 -1.232 1.00 0.00 N ATOM 0 H LYS A 27 8.756 -23.341 -0.572 1.00 0.00 H new ATOM 0 HA LYS A 27 8.988 -22.841 -3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.491 -25.164 -3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.615 -24.953 -2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.224 -26.525 -1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.438 -25.070 -0.802 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.773 -25.211 -2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.579 -26.628 -3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.408 -26.493 -0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.526 -27.107 -1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.582 -28.854 -0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.147 -28.837 -2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.111 -28.207 -0.887 1.00 0.00 H new ATOM 455 N ARG A 28 6.079 -22.283 -2.271 1.00 0.00 N ATOM 456 CA ARG A 28 4.740 -21.815 -2.636 1.00 0.00 C ATOM 457 C ARG A 28 4.565 -20.327 -2.301 1.00 0.00 C ATOM 458 O ARG A 28 3.435 -19.845 -2.237 1.00 0.00 O ATOM 459 CB ARG A 28 3.680 -22.745 -2.002 1.00 0.00 C ATOM 460 CG ARG A 28 2.515 -23.027 -2.966 1.00 0.00 C ATOM 461 CD ARG A 28 1.627 -24.164 -2.439 1.00 0.00 C ATOM 462 NE ARG A 28 0.502 -24.453 -3.354 1.00 0.00 N ATOM 463 CZ ARG A 28 0.464 -25.393 -4.310 1.00 0.00 C ATOM 464 NH1 ARG A 28 1.531 -26.146 -4.575 1.00 0.00 N ATOM 465 NH2 ARG A 28 -0.651 -25.569 -5.008 1.00 0.00 N ATOM 0 H ARG A 28 6.318 -22.096 -1.297 1.00 0.00 H new ATOM 0 HA ARG A 28 4.599 -21.874 -3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.148 -23.686 -1.713 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.295 -22.288 -1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.918 -22.124 -3.094 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.907 -23.292 -3.948 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.228 -25.063 -2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.237 -23.895 -1.457 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.333 -23.877 -3.247 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.394 -26.012 -4.047 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.485 -26.857 -5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.470 -24.992 -4.815 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.689 -26.281 -5.737 1.00 0.00 H new ATOM 479 N LYS A 29 5.677 -19.598 -2.115 1.00 0.00 N ATOM 480 CA LYS A 29 5.752 -18.166 -1.841 1.00 0.00 C ATOM 481 C LYS A 29 4.769 -17.679 -0.764 1.00 0.00 C ATOM 482 O LYS A 29 4.227 -16.577 -0.866 1.00 0.00 O ATOM 483 CB LYS A 29 5.691 -17.396 -3.176 1.00 0.00 C ATOM 484 CG LYS A 29 6.601 -16.165 -3.121 1.00 0.00 C ATOM 485 CD LYS A 29 6.538 -15.364 -4.429 1.00 0.00 C ATOM 486 CE LYS A 29 7.399 -14.091 -4.386 1.00 0.00 C ATOM 487 NZ LYS A 29 8.857 -14.373 -4.344 1.00 0.00 N ATOM 0 H LYS A 29 6.602 -20.026 -2.156 1.00 0.00 H new ATOM 0 HA LYS A 29 6.714 -17.949 -1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.998 -18.048 -3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.665 -17.090 -3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.304 -15.528 -2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.628 -16.478 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.870 -15.995 -5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.503 -15.091 -4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.178 -13.481 -5.262 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.124 -13.503 -3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.383 -13.476 -4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.078 -14.931 -3.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.131 -14.909 -5.192 1.00 0.00 H new ATOM 501 N LEU A 30 4.529 -18.490 0.271 1.00 0.00 N ATOM 502 CA LEU A 30 3.827 -18.036 1.466 1.00 0.00 C ATOM 503 C LEU A 30 4.732 -17.078 2.243 1.00 0.00 C ATOM 504 O LEU A 30 5.954 -17.076 2.066 1.00 0.00 O ATOM 505 CB LEU A 30 3.438 -19.240 2.340 1.00 0.00 C ATOM 506 CG LEU A 30 2.295 -20.103 1.771 1.00 0.00 C ATOM 507 CD1 LEU A 30 2.037 -21.285 2.703 1.00 0.00 C ATOM 508 CD2 LEU A 30 0.994 -19.308 1.607 1.00 0.00 C ATOM 0 H LEU A 30 4.814 -19.469 0.301 1.00 0.00 H new ATOM 0 HA LEU A 30 2.914 -17.515 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.317 -19.870 2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.146 -18.878 3.326 1.00 0.00 H new ATOM 0 HG LEU A 30 2.607 -20.447 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.229 -21.896 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.941 -21.888 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.757 -20.916 3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.218 -19.959 1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.677 -18.925 2.577 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.160 -18.475 0.924 1.00 0.00 H new ATOM 520 N ALA A 31 4.137 -16.309 3.153 1.00 0.00 N ATOM 521 CA ALA A 31 4.825 -15.399 4.062 1.00 0.00 C ATOM 522 C ALA A 31 4.291 -15.659 5.475 1.00 0.00 C ATOM 523 O ALA A 31 3.174 -16.159 5.596 1.00 0.00 O ATOM 524 CB ALA A 31 4.556 -13.966 3.597 1.00 0.00 C ATOM 0 H ALA A 31 3.125 -16.304 3.281 1.00 0.00 H new ATOM 0 HA ALA A 31 5.904 -15.554 4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.061 -13.266 4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.931 -13.836 2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.483 -13.773 3.615 1.00 0.00 H new ATOM 530 N GLY A 32 5.057 -15.392 6.538 1.00 0.00 N ATOM 531 CA GLY A 32 4.668 -15.828 7.878 1.00 0.00 C ATOM 532 C GLY A 32 5.856 -16.132 8.789 1.00 0.00 C ATOM 533 O GLY A 32 6.966 -15.643 8.556 1.00 0.00 O ATOM 0 H GLY A 32 5.939 -14.882 6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.055 -15.054 8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.046 -16.720 7.795 1.00 0.00 H new ATOM 537 N TRP A 33 5.640 -16.953 9.819 1.00 0.00 N ATOM 538 CA TRP A 33 6.690 -17.422 10.708 1.00 0.00 C ATOM 539 C TRP A 33 6.448 -18.858 11.176 1.00 0.00 C ATOM 540 O TRP A 33 5.332 -19.377 11.090 1.00 0.00 O ATOM 541 CB TRP A 33 6.880 -16.468 11.906 1.00 0.00 C ATOM 542 CG TRP A 33 5.799 -16.386 12.958 1.00 0.00 C ATOM 543 CD1 TRP A 33 5.340 -17.406 13.724 1.00 0.00 C ATOM 544 CD2 TRP A 33 5.110 -15.197 13.463 1.00 0.00 C ATOM 545 NE1 TRP A 33 4.408 -16.944 14.629 1.00 0.00 N ATOM 546 CE2 TRP A 33 4.249 -15.581 14.537 1.00 0.00 C ATOM 547 CE3 TRP A 33 5.150 -13.821 13.147 1.00 0.00 C ATOM 548 CZ2 TRP A 33 3.483 -14.654 15.262 1.00 0.00 C ATOM 549 CZ3 TRP A 33 4.376 -12.882 13.857 1.00 0.00 C ATOM 550 CH2 TRP A 33 3.545 -13.294 14.914 1.00 0.00 C ATOM 0 H TRP A 33 4.716 -17.312 10.057 1.00 0.00 H new ATOM 0 HA TRP A 33 7.616 -17.425 10.133 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.806 -16.750 12.407 1.00 0.00 H new ATOM 0 HB3 TRP A 33 7.027 -15.464 11.507 1.00 0.00 H new ATOM 0 HD1 TRP A 33 5.659 -18.434 13.638 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.900 -17.538 15.284 1.00 0.00 H new ATOM 0 HE3 TRP A 33 5.787 -13.481 12.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.854 -14.982 16.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.421 -11.837 13.587 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.957 -12.568 15.456 1.00 0.00 H new ATOM 561 N VAL A 34 7.479 -19.471 11.760 1.00 0.00 N ATOM 562 CA VAL A 34 7.393 -20.735 12.488 1.00 0.00 C ATOM 563 C VAL A 34 8.254 -20.624 13.750 1.00 0.00 C ATOM 564 O VAL A 34 9.296 -19.966 13.713 1.00 0.00 O ATOM 565 CB VAL A 34 7.803 -21.900 11.558 1.00 0.00 C ATOM 566 CG1 VAL A 34 9.221 -21.780 10.971 1.00 0.00 C ATOM 567 CG2 VAL A 34 7.662 -23.266 12.245 1.00 0.00 C ATOM 0 H VAL A 34 8.424 -19.089 11.738 1.00 0.00 H new ATOM 0 HA VAL A 34 6.372 -20.947 12.806 1.00 0.00 H new ATOM 0 HB VAL A 34 7.101 -21.828 10.727 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.424 -22.639 10.332 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.295 -20.865 10.384 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.949 -21.751 11.782 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.961 -24.054 11.553 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.300 -23.297 13.128 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.624 -23.419 12.542 1.00 0.00 H new ATOM 577 N LYS A 35 7.847 -21.278 14.846 1.00 0.00 N ATOM 578 CA LYS A 35 8.677 -21.465 16.036 1.00 0.00 C ATOM 579 C LYS A 35 8.374 -22.809 16.691 1.00 0.00 C ATOM 580 O LYS A 35 7.250 -23.310 16.587 1.00 0.00 O ATOM 581 CB LYS A 35 8.489 -20.329 17.057 1.00 0.00 C ATOM 582 CG LYS A 35 7.067 -20.124 17.618 1.00 0.00 C ATOM 583 CD LYS A 35 7.141 -19.303 18.917 1.00 0.00 C ATOM 584 CE LYS A 35 5.776 -18.976 19.541 1.00 0.00 C ATOM 585 NZ LYS A 35 5.059 -17.876 18.849 1.00 0.00 N ATOM 0 H LYS A 35 6.920 -21.696 14.929 1.00 0.00 H new ATOM 0 HA LYS A 35 9.717 -21.447 15.709 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.161 -20.511 17.895 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.807 -19.397 16.590 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.446 -19.609 16.885 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.598 -21.089 17.811 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.738 -19.852 19.646 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.666 -18.370 18.713 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.154 -19.871 19.526 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.919 -18.705 20.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.214 -17.614 19.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.687 -17.051 18.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.773 -18.191 17.900 1.00 0.00 H new ATOM 599 N ASN A 36 9.349 -23.366 17.406 1.00 0.00 N ATOM 600 CA ASN A 36 9.095 -24.435 18.360 1.00 0.00 C ATOM 601 C ASN A 36 8.528 -23.801 19.629 1.00 0.00 C ATOM 602 O ASN A 36 8.760 -22.620 19.904 1.00 0.00 O ATOM 603 CB ASN A 36 10.395 -25.187 18.686 1.00 0.00 C ATOM 604 CG ASN A 36 10.853 -26.156 17.597 1.00 0.00 C ATOM 605 OD1 ASN A 36 10.160 -26.378 16.609 1.00 0.00 O ATOM 606 ND2 ASN A 36 12.021 -26.747 17.778 1.00 0.00 N ATOM 0 H ASN A 36 10.329 -23.090 17.339 1.00 0.00 H new ATOM 0 HA ASN A 36 8.390 -25.152 17.940 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.187 -24.459 18.864 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.257 -25.741 19.614 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.370 -27.409 17.085 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.573 -26.541 18.610 1.00 0.00 H new ATOM 613 N ARG A 37 7.817 -24.594 20.431 1.00 0.00 N ATOM 614 CA ARG A 37 7.277 -24.182 21.724 1.00 0.00 C ATOM 615 C ARG A 37 7.908 -25.040 22.815 1.00 0.00 C ATOM 616 O ARG A 37 8.246 -26.202 22.575 1.00 0.00 O ATOM 617 CB ARG A 37 5.758 -24.382 21.719 1.00 0.00 C ATOM 618 CG ARG A 37 4.986 -23.394 20.830 1.00 0.00 C ATOM 619 CD ARG A 37 3.566 -23.901 20.525 1.00 0.00 C ATOM 620 NE ARG A 37 2.857 -24.409 21.720 1.00 0.00 N ATOM 621 CZ ARG A 37 1.648 -24.040 22.162 1.00 0.00 C ATOM 622 NH1 ARG A 37 1.009 -23.000 21.628 1.00 0.00 N ATOM 623 NH2 ARG A 37 1.075 -24.728 23.141 1.00 0.00 N ATOM 0 H ARG A 37 7.597 -25.561 20.193 1.00 0.00 H new ATOM 0 HA ARG A 37 7.501 -23.132 21.910 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.539 -25.397 21.387 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.390 -24.295 22.741 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.929 -22.425 21.326 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.528 -23.243 19.896 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.985 -23.091 20.084 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.623 -24.695 19.780 1.00 0.00 H new ATOM 0 HE ARG A 37 3.343 -25.119 22.268 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.440 -22.471 20.870 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.089 -22.733 21.977 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.555 -25.530 23.550 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.154 -24.455 23.485 1.00 0.00 H new ATOM 637 N ASP A 38 8.029 -24.491 24.023 1.00 0.00 N ATOM 638 CA ASP A 38 8.624 -25.188 25.167 1.00 0.00 C ATOM 639 C ASP A 38 7.789 -26.400 25.595 1.00 0.00 C ATOM 640 O ASP A 38 8.331 -27.382 26.102 1.00 0.00 O ATOM 641 CB ASP A 38 8.776 -24.217 26.343 1.00 0.00 C ATOM 642 CG ASP A 38 9.365 -24.916 27.580 1.00 0.00 C ATOM 643 OD1 ASP A 38 10.579 -25.222 27.587 1.00 0.00 O ATOM 644 OD2 ASP A 38 8.629 -25.124 28.571 1.00 0.00 O ATOM 0 H ASP A 38 7.716 -23.545 24.239 1.00 0.00 H new ATOM 0 HA ASP A 38 9.604 -25.554 24.861 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.421 -23.388 26.051 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.804 -23.792 26.593 1.00 0.00 H new ATOM 649 N ASP A 39 6.477 -26.360 25.344 1.00 0.00 N ATOM 650 CA ASP A 39 5.549 -27.463 25.590 1.00 0.00 C ATOM 651 C ASP A 39 5.726 -28.633 24.606 1.00 0.00 C ATOM 652 O ASP A 39 5.052 -29.655 24.747 1.00 0.00 O ATOM 653 CB ASP A 39 4.092 -26.967 25.587 1.00 0.00 C ATOM 654 CG ASP A 39 3.462 -26.874 24.193 1.00 0.00 C ATOM 655 OD1 ASP A 39 4.157 -26.525 23.219 1.00 0.00 O ATOM 656 OD2 ASP A 39 2.231 -27.059 24.079 1.00 0.00 O ATOM 0 H ASP A 39 6.021 -25.536 24.953 1.00 0.00 H new ATOM 0 HA ASP A 39 5.790 -27.850 26.580 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.491 -27.637 26.201 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.054 -25.984 26.057 1.00 0.00 H new ATOM 661 N GLY A 40 6.620 -28.502 23.619 1.00 0.00 N ATOM 662 CA GLY A 40 6.967 -29.552 22.670 1.00 0.00 C ATOM 663 C GLY A 40 6.229 -29.420 21.337 1.00 0.00 C ATOM 664 O GLY A 40 6.567 -30.132 20.389 1.00 0.00 O ATOM 0 H GLY A 40 7.134 -27.635 23.459 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.041 -29.529 22.488 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.739 -30.522 23.111 1.00 0.00 H new ATOM 668 N ARG A 41 5.236 -28.529 21.232 1.00 0.00 N ATOM 669 CA ARG A 41 4.501 -28.311 19.991 1.00 0.00 C ATOM 670 C ARG A 41 5.306 -27.425 19.039 1.00 0.00 C ATOM 671 O ARG A 41 6.382 -26.921 19.375 1.00 0.00 O ATOM 672 CB ARG A 41 3.108 -27.730 20.306 1.00 0.00 C ATOM 673 CG ARG A 41 2.219 -28.761 21.014 1.00 0.00 C ATOM 674 CD ARG A 41 0.815 -28.211 21.287 1.00 0.00 C ATOM 675 NE ARG A 41 -0.095 -29.266 21.766 1.00 0.00 N ATOM 676 CZ ARG A 41 -0.205 -29.723 23.023 1.00 0.00 C ATOM 677 NH1 ARG A 41 0.515 -29.205 24.013 1.00 0.00 N ATOM 678 NH2 ARG A 41 -1.051 -30.715 23.283 1.00 0.00 N ATOM 0 H ARG A 41 4.924 -27.943 22.006 1.00 0.00 H new ATOM 0 HA ARG A 41 4.352 -29.262 19.481 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.214 -26.846 20.935 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.629 -27.408 19.382 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.145 -29.659 20.400 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.683 -29.056 21.955 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.873 -27.415 22.029 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.413 -27.769 20.376 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.705 -29.694 21.069 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.168 -28.444 23.825 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.415 -29.568 24.961 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.608 -31.121 22.531 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.143 -31.071 24.235 1.00 0.00 H new ATOM 692 N VAL A 42 4.761 -27.208 17.852 1.00 0.00 N ATOM 693 CA VAL A 42 5.219 -26.210 16.895 1.00 0.00 C ATOM 694 C VAL A 42 4.041 -25.264 16.688 1.00 0.00 C ATOM 695 O VAL A 42 2.888 -25.708 16.696 1.00 0.00 O ATOM 696 CB VAL A 42 5.663 -26.898 15.583 1.00 0.00 C ATOM 697 CG1 VAL A 42 6.133 -25.906 14.508 1.00 0.00 C ATOM 698 CG2 VAL A 42 6.802 -27.890 15.839 1.00 0.00 C ATOM 0 H VAL A 42 3.959 -27.741 17.516 1.00 0.00 H new ATOM 0 HA VAL A 42 6.088 -25.656 17.250 1.00 0.00 H new ATOM 0 HB VAL A 42 4.776 -27.414 15.215 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.430 -26.453 13.613 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.320 -25.223 14.262 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.983 -25.337 14.885 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.094 -28.359 14.899 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.656 -27.362 16.262 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.467 -28.656 16.538 1.00 0.00 H new ATOM 708 N GLU A 43 4.337 -23.981 16.481 1.00 0.00 N ATOM 709 CA GLU A 43 3.389 -22.987 16.005 1.00 0.00 C ATOM 710 C GLU A 43 3.891 -22.530 14.640 1.00 0.00 C ATOM 711 O GLU A 43 5.092 -22.325 14.445 1.00 0.00 O ATOM 712 CB GLU A 43 3.328 -21.795 16.974 1.00 0.00 C ATOM 713 CG GLU A 43 2.344 -20.699 16.522 1.00 0.00 C ATOM 714 CD GLU A 43 2.631 -19.366 17.209 1.00 0.00 C ATOM 715 OE1 GLU A 43 3.513 -18.619 16.725 1.00 0.00 O ATOM 716 OE2 GLU A 43 1.974 -19.061 18.228 1.00 0.00 O ATOM 0 H GLU A 43 5.268 -23.599 16.646 1.00 0.00 H new ATOM 0 HA GLU A 43 2.384 -23.405 15.938 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.036 -22.152 17.962 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.324 -21.363 17.072 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.410 -20.573 15.441 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.324 -21.011 16.745 1.00 0.00 H new ATOM 723 N ILE A 44 2.959 -22.319 13.718 1.00 0.00 N ATOM 724 CA ILE A 44 3.190 -21.729 12.420 1.00 0.00 C ATOM 725 C ILE A 44 2.114 -20.650 12.265 1.00 0.00 C ATOM 726 O ILE A 44 0.983 -20.822 12.728 1.00 0.00 O ATOM 727 CB ILE A 44 3.086 -22.802 11.310 1.00 0.00 C ATOM 728 CG1 ILE A 44 3.684 -24.182 11.690 1.00 0.00 C ATOM 729 CG2 ILE A 44 3.724 -22.258 10.025 1.00 0.00 C ATOM 730 CD1 ILE A 44 3.523 -25.270 10.626 1.00 0.00 C ATOM 0 H ILE A 44 1.981 -22.568 13.869 1.00 0.00 H new ATOM 0 HA ILE A 44 4.189 -21.302 12.334 1.00 0.00 H new ATOM 0 HB ILE A 44 2.024 -22.996 11.157 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.746 -24.056 11.901 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.214 -24.524 12.612 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.654 -23.009 9.238 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.199 -21.355 9.712 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.772 -22.023 10.210 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.972 -26.197 10.983 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.463 -25.432 10.429 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.019 -24.957 9.707 1.00 0.00 H new ATOM 742 N LEU A 45 2.442 -19.566 11.576 1.00 0.00 N ATOM 743 CA LEU A 45 1.519 -18.521 11.159 1.00 0.00 C ATOM 744 C LEU A 45 1.880 -18.284 9.703 1.00 0.00 C ATOM 745 O LEU A 45 3.060 -18.105 9.408 1.00 0.00 O ATOM 746 CB LEU A 45 1.727 -17.283 12.050 1.00 0.00 C ATOM 747 CG LEU A 45 0.667 -16.173 11.903 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.906 -15.130 13.000 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.687 -15.452 10.547 1.00 0.00 C ATOM 0 H LEU A 45 3.401 -19.383 11.280 1.00 0.00 H new ATOM 0 HA LEU A 45 0.463 -18.775 11.257 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.748 -17.606 13.091 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.706 -16.858 11.828 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.304 -16.661 11.984 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.166 -14.335 12.914 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.817 -15.604 13.978 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.905 -14.709 12.890 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.090 -14.688 10.530 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.660 -14.984 10.398 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.505 -16.172 9.749 1.00 0.00 H new ATOM 761 N ALA A 46 0.913 -18.332 8.789 1.00 0.00 N ATOM 762 CA ALA A 46 1.168 -18.202 7.361 1.00 0.00 C ATOM 763 C ALA A 46 0.088 -17.341 6.725 1.00 0.00 C ATOM 764 O ALA A 46 -1.055 -17.331 7.179 1.00 0.00 O ATOM 765 CB ALA A 46 1.218 -19.587 6.716 1.00 0.00 C ATOM 0 H ALA A 46 -0.072 -18.463 9.021 1.00 0.00 H new ATOM 0 HA ALA A 46 2.131 -17.717 7.202 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.409 -19.484 5.648 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.016 -20.172 7.173 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.265 -20.093 6.867 1.00 0.00 H new ATOM 771 N GLU A 47 0.451 -16.637 5.660 1.00 0.00 N ATOM 772 CA GLU A 47 -0.374 -15.674 4.960 1.00 0.00 C ATOM 773 C GLU A 47 -0.137 -15.880 3.470 1.00 0.00 C ATOM 774 O GLU A 47 1.011 -16.031 3.034 1.00 0.00 O ATOM 775 CB GLU A 47 -0.013 -14.241 5.396 1.00 0.00 C ATOM 776 CG GLU A 47 -0.529 -13.974 6.816 1.00 0.00 C ATOM 777 CD GLU A 47 -0.128 -12.632 7.428 1.00 0.00 C ATOM 778 OE1 GLU A 47 0.499 -11.761 6.788 1.00 0.00 O ATOM 779 OE2 GLU A 47 -0.418 -12.453 8.629 1.00 0.00 O ATOM 0 H GLU A 47 1.377 -16.731 5.244 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.429 -15.817 5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.068 -14.104 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.447 -13.521 4.702 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.617 -14.036 6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.171 -14.771 7.468 1.00 0.00 H new ATOM 786 N GLY A 48 -1.222 -15.924 2.695 1.00 0.00 N ATOM 787 CA GLY A 48 -1.166 -16.250 1.275 1.00 0.00 C ATOM 788 C GLY A 48 -2.543 -16.627 0.736 1.00 0.00 C ATOM 789 O GLY A 48 -3.540 -16.393 1.424 1.00 0.00 O ATOM 0 H GLY A 48 -2.164 -15.734 3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.777 -15.397 0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.473 -17.076 1.117 1.00 0.00 H new ATOM 793 N PRO A 49 -2.630 -17.167 -0.490 1.00 0.00 N ATOM 794 CA PRO A 49 -3.882 -17.669 -1.038 1.00 0.00 C ATOM 795 C PRO A 49 -4.282 -18.979 -0.348 1.00 0.00 C ATOM 796 O PRO A 49 -3.434 -19.777 0.064 1.00 0.00 O ATOM 797 CB PRO A 49 -3.621 -17.854 -2.535 1.00 0.00 C ATOM 798 CG PRO A 49 -2.123 -18.144 -2.609 1.00 0.00 C ATOM 799 CD PRO A 49 -1.539 -17.350 -1.438 1.00 0.00 C ATOM 0 HA PRO A 49 -4.716 -16.986 -0.874 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.208 -18.675 -2.945 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.884 -16.960 -3.101 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.917 -19.210 -2.512 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.700 -17.823 -3.561 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.709 -17.887 -0.978 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.150 -16.389 -1.774 1.00 0.00 H new ATOM 807 N GLU A 50 -5.590 -19.226 -0.263 1.00 0.00 N ATOM 808 CA GLU A 50 -6.156 -20.348 0.480 1.00 0.00 C ATOM 809 C GLU A 50 -5.681 -21.700 -0.068 1.00 0.00 C ATOM 810 O GLU A 50 -5.518 -22.647 0.697 1.00 0.00 O ATOM 811 CB GLU A 50 -7.689 -20.226 0.455 1.00 0.00 C ATOM 812 CG GLU A 50 -8.378 -21.228 1.392 1.00 0.00 C ATOM 813 CD GLU A 50 -9.911 -21.123 1.303 1.00 0.00 C ATOM 814 OE1 GLU A 50 -10.510 -21.679 0.355 1.00 0.00 O ATOM 815 OE2 GLU A 50 -10.540 -20.498 2.188 1.00 0.00 O ATOM 0 H GLU A 50 -6.294 -18.643 -0.715 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.806 -20.309 1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.974 -19.213 0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.045 -20.383 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.066 -22.241 1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.059 -21.046 2.418 1.00 0.00 H new ATOM 822 N ASN A 51 -5.436 -21.825 -1.377 1.00 0.00 N ATOM 823 CA ASN A 51 -4.922 -23.076 -1.946 1.00 0.00 C ATOM 824 C ASN A 51 -3.507 -23.375 -1.453 1.00 0.00 C ATOM 825 O ASN A 51 -3.185 -24.524 -1.141 1.00 0.00 O ATOM 826 CB ASN A 51 -4.929 -23.020 -3.481 1.00 0.00 C ATOM 827 CG ASN A 51 -4.219 -24.237 -4.074 1.00 0.00 C ATOM 828 OD1 ASN A 51 -3.026 -24.190 -4.365 1.00 0.00 O ATOM 829 ND2 ASN A 51 -4.915 -25.349 -4.240 1.00 0.00 N ATOM 0 H ASN A 51 -5.584 -21.081 -2.059 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.582 -23.877 -1.612 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.956 -22.981 -3.843 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.438 -22.107 -3.818 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.462 -26.183 -4.614 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.905 -25.373 -3.994 1.00 0.00 H new ATOM 836 N ALA A 52 -2.662 -22.346 -1.368 1.00 0.00 N ATOM 837 CA ALA A 52 -1.304 -22.519 -0.880 1.00 0.00 C ATOM 838 C ALA A 52 -1.330 -22.853 0.605 1.00 0.00 C ATOM 839 O ALA A 52 -0.630 -23.770 1.027 1.00 0.00 O ATOM 840 CB ALA A 52 -0.456 -21.275 -1.163 1.00 0.00 C ATOM 0 H ALA A 52 -2.898 -21.389 -1.631 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.839 -23.350 -1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.555 -21.431 -0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.421 -21.095 -2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.899 -20.412 -0.665 1.00 0.00 H new ATOM 846 N LEU A 53 -2.169 -22.165 1.383 1.00 0.00 N ATOM 847 CA LEU A 53 -2.309 -22.415 2.811 1.00 0.00 C ATOM 848 C LEU A 53 -2.821 -23.837 3.072 1.00 0.00 C ATOM 849 O LEU A 53 -2.311 -24.513 3.965 1.00 0.00 O ATOM 850 CB LEU A 53 -3.239 -21.358 3.421 1.00 0.00 C ATOM 851 CG LEU A 53 -2.667 -19.926 3.420 1.00 0.00 C ATOM 852 CD1 LEU A 53 -3.752 -18.936 3.844 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.465 -19.770 4.358 1.00 0.00 C ATOM 0 H LEU A 53 -2.770 -21.418 1.035 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.332 -22.338 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.180 -21.360 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.469 -21.643 4.448 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.329 -19.721 2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.343 -17.925 3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.588 -18.991 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.100 -19.185 4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.103 -18.743 4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.766 -20.009 5.378 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.670 -20.447 4.046 1.00 0.00 H new ATOM 865 N GLN A 54 -3.773 -24.330 2.273 1.00 0.00 N ATOM 866 CA GLN A 54 -4.246 -25.710 2.347 1.00 0.00 C ATOM 867 C GLN A 54 -3.115 -26.694 2.043 1.00 0.00 C ATOM 868 O GLN A 54 -2.887 -27.621 2.819 1.00 0.00 O ATOM 869 CB GLN A 54 -5.403 -25.907 1.354 1.00 0.00 C ATOM 870 CG GLN A 54 -6.743 -25.416 1.914 1.00 0.00 C ATOM 871 CD GLN A 54 -7.823 -25.473 0.837 1.00 0.00 C ATOM 872 OE1 GLN A 54 -8.668 -26.365 0.812 1.00 0.00 O ATOM 873 NE2 GLN A 54 -7.791 -24.532 -0.091 1.00 0.00 N ATOM 0 H GLN A 54 -4.238 -23.777 1.553 1.00 0.00 H new ATOM 0 HA GLN A 54 -4.597 -25.906 3.360 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.181 -25.373 0.430 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.484 -26.964 1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.036 -26.031 2.765 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -6.639 -24.395 2.280 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.081 -23.801 -0.051 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.476 -24.537 -0.847 1.00 0.00 H new ATOM 882 N SER A 55 -2.384 -26.493 0.944 1.00 0.00 N ATOM 883 CA SER A 55 -1.300 -27.393 0.544 1.00 0.00 C ATOM 884 C SER A 55 -0.199 -27.426 1.618 1.00 0.00 C ATOM 885 O SER A 55 0.356 -28.477 1.947 1.00 0.00 O ATOM 886 CB SER A 55 -0.739 -26.930 -0.808 1.00 0.00 C ATOM 887 OG SER A 55 -1.763 -26.804 -1.785 1.00 0.00 O ATOM 0 H SER A 55 -2.526 -25.707 0.310 1.00 0.00 H new ATOM 0 HA SER A 55 -1.686 -28.407 0.441 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.234 -25.972 -0.684 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.010 -27.642 -1.155 1.00 0.00 H new ATOM 0 HG SER A 55 -2.217 -25.943 -1.674 1.00 0.00 H new ATOM 893 N PHE A 56 0.086 -26.267 2.206 1.00 0.00 N ATOM 894 CA PHE A 56 1.043 -26.103 3.278 1.00 0.00 C ATOM 895 C PHE A 56 0.588 -26.865 4.526 1.00 0.00 C ATOM 896 O PHE A 56 1.395 -27.589 5.104 1.00 0.00 O ATOM 897 CB PHE A 56 1.194 -24.599 3.500 1.00 0.00 C ATOM 898 CG PHE A 56 2.152 -24.152 4.576 1.00 0.00 C ATOM 899 CD1 PHE A 56 3.541 -24.279 4.382 1.00 0.00 C ATOM 900 CD2 PHE A 56 1.655 -23.489 5.711 1.00 0.00 C ATOM 901 CE1 PHE A 56 4.428 -23.710 5.310 1.00 0.00 C ATOM 902 CE2 PHE A 56 2.546 -22.920 6.634 1.00 0.00 C ATOM 903 CZ PHE A 56 3.931 -23.007 6.419 1.00 0.00 C ATOM 0 H PHE A 56 -0.362 -25.392 1.935 1.00 0.00 H new ATOM 0 HA PHE A 56 2.017 -26.526 3.030 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.510 -24.149 2.559 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.210 -24.192 3.734 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.922 -24.812 3.523 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.590 -23.417 5.873 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.494 -23.813 5.170 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.166 -22.415 7.510 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.615 -22.533 7.108 1.00 0.00 H new ATOM 913 N VAL A 57 -0.694 -26.797 4.907 1.00 0.00 N ATOM 914 CA VAL A 57 -1.233 -27.626 5.983 1.00 0.00 C ATOM 915 C VAL A 57 -1.026 -29.102 5.644 1.00 0.00 C ATOM 916 O VAL A 57 -0.488 -29.825 6.480 1.00 0.00 O ATOM 917 CB VAL A 57 -2.710 -27.268 6.272 1.00 0.00 C ATOM 918 CG1 VAL A 57 -3.454 -28.335 7.094 1.00 0.00 C ATOM 919 CG2 VAL A 57 -2.783 -25.954 7.057 1.00 0.00 C ATOM 0 H VAL A 57 -1.378 -26.171 4.481 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.693 -27.426 6.908 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.191 -27.192 5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.483 -28.016 7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.449 -29.281 6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.957 -28.465 8.055 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.826 -25.707 7.257 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.248 -26.064 8.000 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.327 -25.155 6.472 1.00 0.00 H new ATOM 929 N GLU A 58 -1.389 -29.547 4.435 1.00 0.00 N ATOM 930 CA GLU A 58 -1.278 -30.948 4.020 1.00 0.00 C ATOM 931 C GLU A 58 0.160 -31.455 4.192 1.00 0.00 C ATOM 932 O GLU A 58 0.376 -32.580 4.643 1.00 0.00 O ATOM 933 CB GLU A 58 -1.737 -31.123 2.560 1.00 0.00 C ATOM 934 CG GLU A 58 -3.246 -30.942 2.336 1.00 0.00 C ATOM 935 CD GLU A 58 -4.033 -32.232 2.616 1.00 0.00 C ATOM 936 OE1 GLU A 58 -4.425 -32.462 3.781 1.00 0.00 O ATOM 937 OE2 GLU A 58 -4.280 -33.017 1.671 1.00 0.00 O ATOM 0 H GLU A 58 -1.771 -28.938 3.712 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.931 -31.541 4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.202 -30.406 1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.450 -32.118 2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.615 -30.146 2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.424 -30.626 1.308 1.00 0.00 H new ATOM 944 N ALA A 59 1.141 -30.607 3.879 1.00 0.00 N ATOM 945 CA ALA A 59 2.555 -30.910 4.064 1.00 0.00 C ATOM 946 C ALA A 59 2.920 -30.990 5.552 1.00 0.00 C ATOM 947 O ALA A 59 3.586 -31.933 5.985 1.00 0.00 O ATOM 948 CB ALA A 59 3.407 -29.854 3.356 1.00 0.00 C ATOM 0 H ALA A 59 0.971 -29.681 3.486 1.00 0.00 H new ATOM 0 HA ALA A 59 2.757 -31.887 3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.463 -30.084 3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.175 -29.853 2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.191 -28.871 3.775 1.00 0.00 H new ATOM 954 N VAL A 60 2.467 -30.027 6.355 1.00 0.00 N ATOM 955 CA VAL A 60 2.702 -29.993 7.795 1.00 0.00 C ATOM 956 C VAL A 60 2.082 -31.218 8.487 1.00 0.00 C ATOM 957 O VAL A 60 2.623 -31.654 9.503 1.00 0.00 O ATOM 958 CB VAL A 60 2.216 -28.639 8.361 1.00 0.00 C ATOM 959 CG1 VAL A 60 2.251 -28.573 9.893 1.00 0.00 C ATOM 960 CG2 VAL A 60 3.104 -27.490 7.851 1.00 0.00 C ATOM 0 H VAL A 60 1.918 -29.237 6.016 1.00 0.00 H new ATOM 0 HA VAL A 60 3.770 -30.061 8.002 1.00 0.00 H new ATOM 0 HB VAL A 60 1.185 -28.542 8.021 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.897 -27.596 10.223 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.608 -29.350 10.305 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.273 -28.725 10.240 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.747 -26.545 8.260 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.133 -27.657 8.169 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.062 -27.453 6.762 1.00 0.00 H new ATOM 970 N LYS A 61 1.023 -31.839 7.939 1.00 0.00 N ATOM 971 CA LYS A 61 0.499 -33.092 8.494 1.00 0.00 C ATOM 972 C LYS A 61 1.572 -34.182 8.514 1.00 0.00 C ATOM 973 O LYS A 61 1.573 -35.006 9.426 1.00 0.00 O ATOM 974 CB LYS A 61 -0.727 -33.627 7.734 1.00 0.00 C ATOM 975 CG LYS A 61 -1.889 -32.641 7.600 1.00 0.00 C ATOM 976 CD LYS A 61 -3.146 -33.314 7.038 1.00 0.00 C ATOM 977 CE LYS A 61 -4.323 -32.330 7.098 1.00 0.00 C ATOM 978 NZ LYS A 61 -5.476 -32.798 6.295 1.00 0.00 N ATOM 0 H LYS A 61 0.520 -31.496 7.121 1.00 0.00 H new ATOM 0 HA LYS A 61 0.189 -32.848 9.510 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.412 -33.931 6.736 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.087 -34.522 8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.113 -32.209 8.575 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.595 -31.819 6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.974 -33.629 6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.379 -34.211 7.612 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.633 -32.197 8.135 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.000 -31.355 6.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.334 -32.291 6.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.295 -32.613 5.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.609 -33.819 6.441 1.00 0.00 H new ATOM 992 N ASN A 62 2.469 -34.209 7.521 1.00 0.00 N ATOM 993 CA ASN A 62 3.585 -35.144 7.501 1.00 0.00 C ATOM 994 C ASN A 62 4.712 -34.660 8.410 1.00 0.00 C ATOM 995 O ASN A 62 5.317 -35.458 9.127 1.00 0.00 O ATOM 996 CB ASN A 62 4.122 -35.338 6.076 1.00 0.00 C ATOM 997 CG ASN A 62 5.161 -36.458 6.049 1.00 0.00 C ATOM 998 OD1 ASN A 62 4.812 -37.632 5.967 1.00 0.00 O ATOM 999 ND2 ASN A 62 6.443 -36.141 6.117 1.00 0.00 N ATOM 0 H ASN A 62 2.437 -33.584 6.716 1.00 0.00 H new ATOM 0 HA ASN A 62 3.215 -36.102 7.868 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.301 -35.578 5.400 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.568 -34.410 5.719 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.151 -36.875 6.101 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.724 -35.163 6.185 1.00 0.00 H new ATOM 1006 N GLY A 63 4.991 -33.356 8.374 1.00 0.00 N ATOM 1007 CA GLY A 63 6.210 -32.793 8.936 1.00 0.00 C ATOM 1008 C GLY A 63 7.400 -33.113 8.030 1.00 0.00 C ATOM 1009 O GLY A 63 7.219 -33.543 6.885 1.00 0.00 O ATOM 0 H GLY A 63 4.373 -32.663 7.952 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.105 -31.714 9.045 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.382 -33.199 9.933 1.00 0.00 H new ATOM 1013 N SER A 64 8.617 -32.893 8.532 1.00 0.00 N ATOM 1014 CA SER A 64 9.844 -33.220 7.814 1.00 0.00 C ATOM 1015 C SER A 64 9.921 -34.726 7.497 1.00 0.00 C ATOM 1016 O SER A 64 9.206 -35.525 8.115 1.00 0.00 O ATOM 1017 CB SER A 64 11.051 -32.757 8.644 1.00 0.00 C ATOM 1018 OG SER A 64 11.245 -33.582 9.780 1.00 0.00 O ATOM 0 H SER A 64 8.776 -32.481 9.452 1.00 0.00 H new ATOM 0 HA SER A 64 9.850 -32.697 6.858 1.00 0.00 H new ATOM 0 HB2 SER A 64 11.948 -32.772 8.024 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.901 -31.726 8.963 1.00 0.00 H new ATOM 0 HG SER A 64 12.156 -33.460 10.121 1.00 0.00 H new ATOM 1024 N PRO A 65 10.850 -35.157 6.621 1.00 0.00 N ATOM 1025 CA PRO A 65 11.186 -36.568 6.422 1.00 0.00 C ATOM 1026 C PRO A 65 11.547 -37.348 7.701 1.00 0.00 C ATOM 1027 O PRO A 65 11.604 -38.578 7.652 1.00 0.00 O ATOM 1028 CB PRO A 65 12.364 -36.575 5.440 1.00 0.00 C ATOM 1029 CG PRO A 65 12.190 -35.274 4.661 1.00 0.00 C ATOM 1030 CD PRO A 65 11.634 -34.325 5.719 1.00 0.00 C ATOM 0 HA PRO A 65 10.302 -37.086 6.050 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.321 -36.605 5.962 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.332 -37.443 4.782 1.00 0.00 H new ATOM 0 HG2 PRO A 65 13.135 -34.917 4.252 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.504 -35.392 3.822 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.438 -33.819 6.253 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.016 -33.550 5.264 1.00 0.00 H new ATOM 1038 N PHE A 66 11.792 -36.669 8.831 1.00 0.00 N ATOM 1039 CA PHE A 66 12.221 -37.276 10.090 1.00 0.00 C ATOM 1040 C PHE A 66 11.200 -37.041 11.214 1.00 0.00 C ATOM 1041 O PHE A 66 11.372 -37.574 12.311 1.00 0.00 O ATOM 1042 CB PHE A 66 13.605 -36.720 10.466 1.00 0.00 C ATOM 1043 CG PHE A 66 14.633 -36.789 9.349 1.00 0.00 C ATOM 1044 CD1 PHE A 66 15.242 -38.016 9.023 1.00 0.00 C ATOM 1045 CD2 PHE A 66 14.952 -35.633 8.609 1.00 0.00 C ATOM 1046 CE1 PHE A 66 16.166 -38.085 7.964 1.00 0.00 C ATOM 1047 CE2 PHE A 66 15.876 -35.704 7.551 1.00 0.00 C ATOM 1048 CZ PHE A 66 16.483 -36.930 7.227 1.00 0.00 C ATOM 0 H PHE A 66 11.693 -35.656 8.891 1.00 0.00 H new ATOM 0 HA PHE A 66 12.289 -38.356 9.957 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.494 -35.681 10.777 1.00 0.00 H new ATOM 0 HB3 PHE A 66 13.983 -37.272 11.326 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.000 -38.905 9.586 1.00 0.00 H new ATOM 0 HD2 PHE A 66 14.486 -34.690 8.855 1.00 0.00 H new ATOM 0 HE1 PHE A 66 16.633 -39.027 7.717 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.119 -34.816 6.987 1.00 0.00 H new ATOM 0 HZ PHE A 66 17.191 -36.985 6.414 1.00 0.00 H new ATOM 1058 N SER A 67 10.144 -36.260 10.965 1.00 0.00 N ATOM 1059 CA SER A 67 9.074 -36.018 11.918 1.00 0.00 C ATOM 1060 C SER A 67 8.218 -37.271 12.117 1.00 0.00 C ATOM 1061 O SER A 67 8.189 -38.177 11.278 1.00 0.00 O ATOM 1062 CB SER A 67 8.198 -34.880 11.392 1.00 0.00 C ATOM 1063 OG SER A 67 8.947 -33.687 11.286 1.00 0.00 O ATOM 0 H SER A 67 10.013 -35.773 10.078 1.00 0.00 H new ATOM 0 HA SER A 67 9.512 -35.751 12.880 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.790 -35.148 10.417 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.351 -34.726 12.061 1.00 0.00 H new ATOM 0 HG SER A 67 9.701 -33.827 10.676 1.00 0.00 H new ATOM 1069 N LYS A 68 7.452 -37.268 13.207 1.00 0.00 N ATOM 1070 CA LYS A 68 6.358 -38.196 13.468 1.00 0.00 C ATOM 1071 C LYS A 68 5.259 -37.378 14.144 1.00 0.00 C ATOM 1072 O LYS A 68 5.137 -37.370 15.369 1.00 0.00 O ATOM 1073 CB LYS A 68 6.850 -39.415 14.280 1.00 0.00 C ATOM 1074 CG LYS A 68 6.038 -40.698 14.028 1.00 0.00 C ATOM 1075 CD LYS A 68 4.552 -40.602 14.403 1.00 0.00 C ATOM 1076 CE LYS A 68 3.873 -41.958 14.161 1.00 0.00 C ATOM 1077 NZ LYS A 68 2.418 -41.925 14.459 1.00 0.00 N ATOM 0 H LYS A 68 7.583 -36.592 13.960 1.00 0.00 H new ATOM 0 HA LYS A 68 5.955 -38.638 12.557 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.895 -39.604 14.036 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.809 -39.173 15.342 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.116 -40.960 12.973 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.489 -41.514 14.593 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.448 -40.313 15.449 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.065 -39.829 13.809 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.022 -42.255 13.123 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.351 -42.716 14.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.006 -42.863 14.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.274 -41.668 15.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.955 -41.221 13.849 1.00 0.00 H new ATOM 1091 N VAL A 69 4.519 -36.613 13.343 1.00 0.00 N ATOM 1092 CA VAL A 69 3.358 -35.854 13.802 1.00 0.00 C ATOM 1093 C VAL A 69 2.344 -36.847 14.388 1.00 0.00 C ATOM 1094 O VAL A 69 2.161 -37.941 13.843 1.00 0.00 O ATOM 1095 CB VAL A 69 2.774 -35.064 12.606 1.00 0.00 C ATOM 1096 CG1 VAL A 69 1.487 -34.304 12.962 1.00 0.00 C ATOM 1097 CG2 VAL A 69 3.786 -34.052 12.040 1.00 0.00 C ATOM 0 H VAL A 69 4.711 -36.502 12.347 1.00 0.00 H new ATOM 0 HA VAL A 69 3.625 -35.134 14.576 1.00 0.00 H new ATOM 0 HB VAL A 69 2.542 -35.820 11.856 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.125 -33.770 12.084 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.727 -35.011 13.295 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.694 -33.591 13.760 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.337 -33.518 11.202 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.062 -33.340 12.818 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.676 -34.580 11.699 1.00 0.00 H new ATOM 1107 N THR A 70 1.658 -36.459 15.462 1.00 0.00 N ATOM 1108 CA THR A 70 0.592 -37.238 16.083 1.00 0.00 C ATOM 1109 C THR A 70 -0.715 -36.439 16.142 1.00 0.00 C ATOM 1110 O THR A 70 -1.790 -37.041 16.197 1.00 0.00 O ATOM 1111 CB THR A 70 1.033 -37.709 17.480 1.00 0.00 C ATOM 1112 OG1 THR A 70 1.361 -36.596 18.289 1.00 0.00 O ATOM 1113 CG2 THR A 70 2.261 -38.625 17.412 1.00 0.00 C ATOM 0 H THR A 70 1.834 -35.572 15.935 1.00 0.00 H new ATOM 0 HA THR A 70 0.398 -38.119 15.471 1.00 0.00 H new ATOM 0 HB THR A 70 0.197 -38.264 17.906 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.639 -36.907 19.176 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.540 -38.935 18.419 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.026 -39.505 16.813 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.092 -38.087 16.955 1.00 0.00 H new ATOM 1121 N ASP A 71 -0.655 -35.103 16.076 1.00 0.00 N ATOM 1122 CA ASP A 71 -1.826 -34.231 16.053 1.00 0.00 C ATOM 1123 C ASP A 71 -1.467 -32.910 15.373 1.00 0.00 C ATOM 1124 O ASP A 71 -0.306 -32.493 15.382 1.00 0.00 O ATOM 1125 CB ASP A 71 -2.325 -33.975 17.484 1.00 0.00 C ATOM 1126 CG ASP A 71 -3.576 -33.083 17.507 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.527 -33.354 16.739 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.623 -32.126 18.310 1.00 0.00 O ATOM 0 H ASP A 71 0.227 -34.593 16.037 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.624 -34.717 15.491 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.550 -34.927 17.965 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.533 -33.503 18.065 1.00 0.00 H new ATOM 1133 N ILE A 72 -2.462 -32.251 14.785 1.00 0.00 N ATOM 1134 CA ILE A 72 -2.336 -30.985 14.080 1.00 0.00 C ATOM 1135 C ILE A 72 -3.682 -30.257 14.210 1.00 0.00 C ATOM 1136 O ILE A 72 -4.737 -30.900 14.192 1.00 0.00 O ATOM 1137 CB ILE A 72 -1.900 -31.237 12.610 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -1.631 -29.903 11.877 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -2.886 -32.136 11.833 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -1.157 -30.066 10.427 1.00 0.00 C ATOM 0 H ILE A 72 -3.419 -32.603 14.789 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.560 -30.350 14.508 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.964 -31.794 12.649 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.544 -29.307 11.884 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.879 -29.342 12.432 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.526 -32.275 10.814 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.961 -33.105 12.326 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.868 -31.664 11.810 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.991 -29.083 9.986 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.226 -30.633 10.410 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.916 -30.598 9.854 1.00 0.00 H new ATOM 1152 N SER A 73 -3.647 -28.930 14.314 1.00 0.00 N ATOM 1153 CA SER A 73 -4.820 -28.069 14.422 1.00 0.00 C ATOM 1154 C SER A 73 -4.577 -26.814 13.586 1.00 0.00 C ATOM 1155 O SER A 73 -3.426 -26.411 13.398 1.00 0.00 O ATOM 1156 CB SER A 73 -5.060 -27.692 15.893 1.00 0.00 C ATOM 1157 OG SER A 73 -5.201 -28.841 16.717 1.00 0.00 O ATOM 0 H SER A 73 -2.771 -28.408 14.326 1.00 0.00 H new ATOM 0 HA SER A 73 -5.704 -28.591 14.055 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.228 -27.087 16.253 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.958 -27.078 15.969 1.00 0.00 H new ATOM 0 HG SER A 73 -5.350 -28.562 17.644 1.00 0.00 H new ATOM 1163 N VAL A 74 -5.650 -26.185 13.102 1.00 0.00 N ATOM 1164 CA VAL A 74 -5.602 -25.007 12.242 1.00 0.00 C ATOM 1165 C VAL A 74 -6.673 -24.026 12.730 1.00 0.00 C ATOM 1166 O VAL A 74 -7.757 -24.439 13.153 1.00 0.00 O ATOM 1167 CB VAL A 74 -5.825 -25.406 10.759 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -5.646 -24.213 9.804 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -4.875 -26.522 10.296 1.00 0.00 C ATOM 0 H VAL A 74 -6.601 -26.492 13.305 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.622 -24.532 12.296 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.853 -25.765 10.720 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.812 -24.540 8.778 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.365 -23.434 10.057 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.634 -23.819 9.900 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.076 -26.761 9.252 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.843 -26.188 10.400 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.032 -27.410 10.908 1.00 0.00 H new ATOM 1179 N THR A 75 -6.375 -22.734 12.627 1.00 0.00 N ATOM 1180 CA THR A 75 -7.313 -21.627 12.772 1.00 0.00 C ATOM 1181 C THR A 75 -7.007 -20.670 11.609 1.00 0.00 C ATOM 1182 O THR A 75 -5.913 -20.718 11.043 1.00 0.00 O ATOM 1183 CB THR A 75 -7.132 -20.950 14.149 1.00 0.00 C ATOM 1184 OG1 THR A 75 -6.915 -21.896 15.183 1.00 0.00 O ATOM 1185 CG2 THR A 75 -8.346 -20.105 14.555 1.00 0.00 C ATOM 0 H THR A 75 -5.426 -22.416 12.430 1.00 0.00 H new ATOM 0 HA THR A 75 -8.352 -21.954 12.734 1.00 0.00 H new ATOM 0 HB THR A 75 -6.258 -20.309 14.030 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.804 -21.428 16.037 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.165 -19.653 15.530 1.00 0.00 H new ATOM 0 HG22 THR A 75 -8.507 -19.321 13.815 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.230 -20.740 14.608 1.00 0.00 H new ATOM 1193 N GLU A 76 -7.943 -19.803 11.230 1.00 0.00 N ATOM 1194 CA GLU A 76 -7.782 -18.904 10.095 1.00 0.00 C ATOM 1195 C GLU A 76 -8.508 -17.580 10.345 1.00 0.00 C ATOM 1196 O GLU A 76 -9.404 -17.504 11.192 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.235 -19.593 8.793 1.00 0.00 C ATOM 1198 CG GLU A 76 -9.736 -19.897 8.677 1.00 0.00 C ATOM 1199 CD GLU A 76 -10.224 -20.995 9.642 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -10.037 -22.197 9.348 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -10.837 -20.670 10.685 1.00 0.00 O ATOM 0 H GLU A 76 -8.840 -19.706 11.706 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.725 -18.665 9.978 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.947 -18.962 7.952 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.686 -20.529 8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.298 -18.983 8.867 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.958 -20.200 7.654 1.00 0.00 H new ATOM 1208 N SER A 77 -8.115 -16.549 9.594 1.00 0.00 N ATOM 1209 CA SER A 77 -8.571 -15.174 9.750 1.00 0.00 C ATOM 1210 C SER A 77 -8.579 -14.493 8.380 1.00 0.00 C ATOM 1211 O SER A 77 -7.676 -14.713 7.568 1.00 0.00 O ATOM 1212 CB SER A 77 -7.615 -14.415 10.688 1.00 0.00 C ATOM 1213 OG SER A 77 -7.506 -15.036 11.961 1.00 0.00 O ATOM 0 H SER A 77 -7.445 -16.657 8.833 1.00 0.00 H new ATOM 0 HA SER A 77 -9.575 -15.168 10.175 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.628 -14.357 10.229 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.969 -13.392 10.814 1.00 0.00 H new ATOM 0 HG SER A 77 -6.889 -14.523 12.523 1.00 0.00 H new ATOM 1219 N ARG A 78 -9.586 -13.645 8.134 1.00 0.00 N ATOM 1220 CA ARG A 78 -9.580 -12.732 6.989 1.00 0.00 C ATOM 1221 C ARG A 78 -8.512 -11.661 7.205 1.00 0.00 C ATOM 1222 O ARG A 78 -7.768 -11.340 6.278 1.00 0.00 O ATOM 1223 CB ARG A 78 -10.962 -12.078 6.791 1.00 0.00 C ATOM 1224 CG ARG A 78 -12.134 -13.050 6.570 1.00 0.00 C ATOM 1225 CD ARG A 78 -11.955 -13.975 5.361 1.00 0.00 C ATOM 1226 NE ARG A 78 -11.879 -13.235 4.086 1.00 0.00 N ATOM 1227 CZ ARG A 78 -11.840 -13.787 2.866 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -11.887 -15.109 2.717 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -11.755 -13.007 1.793 1.00 0.00 N ATOM 0 H ARG A 78 -10.419 -13.574 8.718 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.352 -13.301 6.088 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.182 -11.465 7.665 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.906 -11.405 5.936 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.262 -13.659 7.465 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.051 -12.475 6.442 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.047 -14.563 5.490 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.787 -14.678 5.320 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.854 -12.217 4.138 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.953 -15.713 3.537 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.857 -15.518 1.783 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.720 -11.993 1.901 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.725 -13.422 0.862 1.00 0.00 H new ATOM 1243 N SER A 79 -8.430 -11.127 8.427 1.00 0.00 N ATOM 1244 CA SER A 79 -7.375 -10.233 8.865 1.00 0.00 C ATOM 1245 C SER A 79 -6.029 -10.947 8.735 1.00 0.00 C ATOM 1246 O SER A 79 -5.931 -12.158 8.947 1.00 0.00 O ATOM 1247 CB SER A 79 -7.640 -9.820 10.319 1.00 0.00 C ATOM 1248 OG SER A 79 -8.990 -9.407 10.489 1.00 0.00 O ATOM 0 H SER A 79 -9.120 -11.316 9.154 1.00 0.00 H new ATOM 0 HA SER A 79 -7.353 -9.335 8.247 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.424 -10.656 10.984 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.969 -9.008 10.599 1.00 0.00 H new ATOM 0 HG SER A 79 -9.138 -9.150 11.423 1.00 0.00 H new ATOM 1254 N LEU A 80 -4.992 -10.185 8.405 1.00 0.00 N ATOM 1255 CA LEU A 80 -3.627 -10.660 8.221 1.00 0.00 C ATOM 1256 C LEU A 80 -2.669 -9.538 8.615 1.00 0.00 C ATOM 1257 O LEU A 80 -3.048 -8.364 8.572 1.00 0.00 O ATOM 1258 CB LEU A 80 -3.437 -11.179 6.781 1.00 0.00 C ATOM 1259 CG LEU A 80 -3.686 -10.197 5.617 1.00 0.00 C ATOM 1260 CD1 LEU A 80 -2.467 -9.327 5.291 1.00 0.00 C ATOM 1261 CD2 LEU A 80 -4.036 -11.002 4.359 1.00 0.00 C ATOM 0 H LEU A 80 -5.084 -9.181 8.253 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.408 -11.511 8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.416 -11.550 6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.100 -12.034 6.644 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.496 -9.537 5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.708 -8.659 4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.196 -8.737 6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.629 -9.965 5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.215 -10.319 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.209 -11.667 4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.934 -11.592 4.543 1.00 0.00 H new ATOM 1273 N GLU A 81 -1.451 -9.881 9.035 1.00 0.00 N ATOM 1274 CA GLU A 81 -0.484 -8.902 9.521 1.00 0.00 C ATOM 1275 C GLU A 81 0.184 -8.178 8.347 1.00 0.00 C ATOM 1276 O GLU A 81 0.548 -7.008 8.474 1.00 0.00 O ATOM 1277 CB GLU A 81 0.592 -9.552 10.409 1.00 0.00 C ATOM 1278 CG GLU A 81 0.094 -10.511 11.505 1.00 0.00 C ATOM 1279 CD GLU A 81 -1.148 -10.014 12.266 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -1.094 -8.933 12.896 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -2.175 -10.732 12.271 1.00 0.00 O ATOM 0 H GLU A 81 -1.110 -10.842 9.047 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.033 -8.181 10.127 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.280 -10.099 9.765 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.165 -8.757 10.886 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.134 -11.475 11.051 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.900 -10.678 12.219 1.00 0.00 H new ATOM 1288 N GLY A 82 0.326 -8.859 7.205 1.00 0.00 N ATOM 1289 CA GLY A 82 0.918 -8.305 5.995 1.00 0.00 C ATOM 1290 C GLY A 82 2.378 -8.728 5.864 1.00 0.00 C ATOM 1291 O GLY A 82 3.223 -7.900 5.518 1.00 0.00 O ATOM 0 H GLY A 82 0.025 -9.828 7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.357 -8.642 5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.850 -7.217 6.017 1.00 0.00 H new ATOM 1295 N HIS A 83 2.693 -9.987 6.187 1.00 0.00 N ATOM 1296 CA HIS A 83 4.017 -10.547 5.972 1.00 0.00 C ATOM 1297 C HIS A 83 4.351 -10.512 4.472 1.00 0.00 C ATOM 1298 O HIS A 83 3.455 -10.593 3.625 1.00 0.00 O ATOM 1299 CB HIS A 83 4.060 -11.989 6.497 1.00 0.00 C ATOM 1300 CG HIS A 83 3.870 -12.144 7.984 1.00 0.00 C ATOM 1301 ND1 HIS A 83 2.672 -12.160 8.659 1.00 0.00 N ATOM 1302 CD2 HIS A 83 4.852 -12.402 8.903 1.00 0.00 C ATOM 1303 CE1 HIS A 83 2.921 -12.426 9.950 1.00 0.00 C ATOM 1304 NE2 HIS A 83 4.243 -12.578 10.152 1.00 0.00 N ATOM 0 H HIS A 83 2.031 -10.641 6.605 1.00 0.00 H new ATOM 0 HA HIS A 83 4.757 -9.956 6.512 1.00 0.00 H new ATOM 0 HB2 HIS A 83 3.288 -12.566 5.988 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.019 -12.428 6.223 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.911 -12.460 8.700 1.00 0.00 H new ATOM 0 HE1 HIS A 83 2.167 -12.507 10.719 1.00 0.00 H new ATOM 0 HE2 HIS A 83 4.708 -12.781 11.037 1.00 0.00 H new ATOM 1312 N HIS A 84 5.644 -10.437 4.135 1.00 0.00 N ATOM 1313 CA HIS A 84 6.143 -10.441 2.751 1.00 0.00 C ATOM 1314 C HIS A 84 7.254 -11.487 2.539 1.00 0.00 C ATOM 1315 O HIS A 84 7.692 -11.699 1.407 1.00 0.00 O ATOM 1316 CB HIS A 84 6.626 -9.031 2.358 1.00 0.00 C ATOM 1317 CG HIS A 84 5.549 -7.974 2.231 1.00 0.00 C ATOM 1318 ND1 HIS A 84 4.184 -8.150 2.314 1.00 0.00 N ATOM 1319 CD2 HIS A 84 5.762 -6.646 1.966 1.00 0.00 C ATOM 1320 CE1 HIS A 84 3.593 -6.960 2.122 1.00 0.00 C ATOM 1321 NE2 HIS A 84 4.515 -6.005 1.897 1.00 0.00 N ATOM 0 H HIS A 84 6.389 -10.370 4.829 1.00 0.00 H new ATOM 0 HA HIS A 84 5.316 -10.725 2.099 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.351 -8.696 3.100 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.153 -9.101 1.407 1.00 0.00 H new ATOM 0 HD1 HIS A 84 3.705 -9.033 2.491 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.724 -6.174 1.833 1.00 0.00 H new ATOM 0 HE1 HIS A 84 2.526 -6.792 2.145 1.00 0.00 H new ATOM 1329 N ARG A 85 7.704 -12.157 3.606 1.00 0.00 N ATOM 1330 CA ARG A 85 8.659 -13.266 3.579 1.00 0.00 C ATOM 1331 C ARG A 85 8.293 -14.223 4.711 1.00 0.00 C ATOM 1332 O ARG A 85 7.404 -13.907 5.507 1.00 0.00 O ATOM 1333 CB ARG A 85 10.105 -12.727 3.663 1.00 0.00 C ATOM 1334 CG ARG A 85 10.481 -11.978 4.961 1.00 0.00 C ATOM 1335 CD ARG A 85 11.198 -12.841 6.010 1.00 0.00 C ATOM 1336 NE ARG A 85 12.524 -13.291 5.542 1.00 0.00 N ATOM 1337 CZ ARG A 85 13.440 -13.927 6.283 1.00 0.00 C ATOM 1338 NH1 ARG A 85 13.184 -14.263 7.543 1.00 0.00 N ATOM 1339 NH2 ARG A 85 14.627 -14.216 5.755 1.00 0.00 N ATOM 0 H ARG A 85 7.398 -11.930 4.552 1.00 0.00 H new ATOM 0 HA ARG A 85 8.609 -13.819 2.641 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.791 -13.566 3.541 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.270 -12.055 2.820 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.121 -11.133 4.706 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.574 -11.568 5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.313 -12.271 6.932 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.583 -13.709 6.247 1.00 0.00 H new ATOM 0 HE ARG A 85 12.763 -13.101 4.569 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.280 -14.037 7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.892 -14.747 8.095 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.834 -13.953 4.791 1.00 0.00 H new ATOM 0 HH22 ARG A 85 15.329 -14.700 6.314 1.00 0.00 H new ATOM 1353 N PHE A 86 8.944 -15.382 4.792 1.00 0.00 N ATOM 1354 CA PHE A 86 8.692 -16.360 5.840 1.00 0.00 C ATOM 1355 C PHE A 86 9.917 -16.425 6.749 1.00 0.00 C ATOM 1356 O PHE A 86 11.038 -16.328 6.242 1.00 0.00 O ATOM 1357 CB PHE A 86 8.352 -17.721 5.221 1.00 0.00 C ATOM 1358 CG PHE A 86 7.429 -18.534 6.106 1.00 0.00 C ATOM 1359 CD1 PHE A 86 7.929 -19.253 7.206 1.00 0.00 C ATOM 1360 CD2 PHE A 86 6.042 -18.513 5.866 1.00 0.00 C ATOM 1361 CE1 PHE A 86 7.050 -19.931 8.064 1.00 0.00 C ATOM 1362 CE2 PHE A 86 5.162 -19.178 6.731 1.00 0.00 C ATOM 1363 CZ PHE A 86 5.666 -19.881 7.835 1.00 0.00 C ATOM 0 H PHE A 86 9.664 -15.667 4.128 1.00 0.00 H new ATOM 0 HA PHE A 86 7.833 -16.066 6.442 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.882 -17.570 4.249 1.00 0.00 H new ATOM 0 HB3 PHE A 86 9.272 -18.280 5.047 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.993 -19.283 7.391 1.00 0.00 H new ATOM 0 HD2 PHE A 86 5.654 -17.981 5.010 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.438 -20.492 8.901 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.098 -19.149 6.548 1.00 0.00 H new ATOM 0 HZ PHE A 86 4.989 -20.384 8.509 1.00 0.00 H new ATOM 1373 N SER A 87 9.723 -16.588 8.060 1.00 0.00 N ATOM 1374 CA SER A 87 10.819 -16.557 9.026 1.00 0.00 C ATOM 1375 C SER A 87 10.786 -17.756 9.975 1.00 0.00 C ATOM 1376 O SER A 87 9.766 -18.044 10.607 1.00 0.00 O ATOM 1377 CB SER A 87 10.727 -15.256 9.835 1.00 0.00 C ATOM 1378 OG SER A 87 10.711 -14.123 8.975 1.00 0.00 O ATOM 0 H SER A 87 8.806 -16.744 8.478 1.00 0.00 H new ATOM 0 HA SER A 87 11.759 -16.605 8.476 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.825 -15.266 10.446 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.574 -15.187 10.518 1.00 0.00 H new ATOM 0 HG SER A 87 10.650 -13.306 9.512 1.00 0.00 H new ATOM 1384 N ILE A 88 11.941 -18.395 10.173 1.00 0.00 N ATOM 1385 CA ILE A 88 12.185 -19.191 11.363 1.00 0.00 C ATOM 1386 C ILE A 88 12.413 -18.170 12.478 1.00 0.00 C ATOM 1387 O ILE A 88 13.397 -17.426 12.453 1.00 0.00 O ATOM 1388 CB ILE A 88 13.398 -20.131 11.168 1.00 0.00 C ATOM 1389 CG1 ILE A 88 13.140 -21.118 10.007 1.00 0.00 C ATOM 1390 CG2 ILE A 88 13.696 -20.885 12.477 1.00 0.00 C ATOM 1391 CD1 ILE A 88 14.401 -21.853 9.545 1.00 0.00 C ATOM 0 H ILE A 88 12.722 -18.372 9.517 1.00 0.00 H new ATOM 0 HA ILE A 88 11.352 -19.853 11.598 1.00 0.00 H new ATOM 0 HB ILE A 88 14.271 -19.531 10.909 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.396 -21.850 10.320 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.716 -20.573 9.164 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.551 -21.544 12.330 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.922 -20.168 13.267 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.826 -21.477 12.762 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.149 -22.530 8.728 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.139 -21.128 9.201 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.814 -22.425 10.376 1.00 0.00 H new ATOM 1403 N VAL A 89 11.506 -18.122 13.448 1.00 0.00 N ATOM 1404 CA VAL A 89 11.803 -17.578 14.759 1.00 0.00 C ATOM 1405 C VAL A 89 12.517 -18.730 15.476 1.00 0.00 C ATOM 1406 O VAL A 89 11.994 -19.842 15.548 1.00 0.00 O ATOM 1407 CB VAL A 89 10.490 -17.104 15.415 1.00 0.00 C ATOM 1408 CG1 VAL A 89 10.663 -16.763 16.901 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.945 -15.866 14.683 1.00 0.00 C ATOM 0 H VAL A 89 10.549 -18.459 13.344 1.00 0.00 H new ATOM 0 HA VAL A 89 12.440 -16.694 14.771 1.00 0.00 H new ATOM 0 HB VAL A 89 9.787 -17.934 15.338 1.00 0.00 H new ATOM 0 HG11 VAL A 89 9.708 -16.435 17.313 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.006 -17.646 17.439 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.398 -15.965 17.008 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.018 -15.542 15.156 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.679 -15.061 14.733 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.752 -16.116 13.640 1.00 0.00 H new ATOM 1419 N TYR A 90 13.753 -18.493 15.925 1.00 0.00 N ATOM 1420 CA TYR A 90 14.677 -19.555 16.333 1.00 0.00 C ATOM 1421 C TYR A 90 14.354 -20.170 17.705 1.00 0.00 C ATOM 1422 O TYR A 90 15.101 -21.034 18.176 1.00 0.00 O ATOM 1423 CB TYR A 90 16.119 -19.022 16.267 1.00 0.00 C ATOM 1424 CG TYR A 90 16.523 -18.558 14.877 1.00 0.00 C ATOM 1425 CD1 TYR A 90 16.764 -19.510 13.865 1.00 0.00 C ATOM 1426 CD2 TYR A 90 16.622 -17.184 14.582 1.00 0.00 C ATOM 1427 CE1 TYR A 90 17.084 -19.095 12.562 1.00 0.00 C ATOM 1428 CE2 TYR A 90 16.946 -16.761 13.280 1.00 0.00 C ATOM 1429 CZ TYR A 90 17.171 -17.717 12.260 1.00 0.00 C ATOM 1430 OH TYR A 90 17.480 -17.324 10.991 1.00 0.00 O ATOM 0 H TYR A 90 14.142 -17.555 16.016 1.00 0.00 H new ATOM 0 HA TYR A 90 14.558 -20.380 15.631 1.00 0.00 H new ATOM 0 HB2 TYR A 90 16.225 -18.192 16.965 1.00 0.00 H new ATOM 0 HB3 TYR A 90 16.804 -19.804 16.595 1.00 0.00 H new ATOM 0 HD1 TYR A 90 16.702 -20.564 14.093 1.00 0.00 H new ATOM 0 HD2 TYR A 90 16.449 -16.453 15.358 1.00 0.00 H new ATOM 0 HE1 TYR A 90 17.264 -19.829 11.790 1.00 0.00 H new ATOM 0 HE2 TYR A 90 17.023 -15.707 13.058 1.00 0.00 H new ATOM 0 HH TYR A 90 17.500 -16.345 10.947 1.00 0.00 H new ATOM 1440 N SER A 91 13.267 -19.746 18.355 1.00 0.00 N ATOM 1441 CA SER A 91 12.712 -20.426 19.517 1.00 0.00 C ATOM 1442 C SER A 91 12.439 -21.893 19.174 1.00 0.00 C ATOM 1443 O SER A 91 12.739 -22.745 20.037 1.00 0.00 O ATOM 1444 CB SER A 91 11.441 -19.714 19.987 1.00 0.00 C ATOM 1445 OG SER A 91 11.675 -18.319 20.137 1.00 0.00 O ATOM 1446 OXT SER A 91 11.975 -22.184 18.044 1.00 0.00 O ATOM 0 H SER A 91 12.746 -18.912 18.083 1.00 0.00 H new ATOM 0 HA SER A 91 13.431 -20.396 20.336 1.00 0.00 H new ATOM 0 HB2 SER A 91 10.639 -19.878 19.268 1.00 0.00 H new ATOM 0 HB3 SER A 91 11.110 -20.137 20.936 1.00 0.00 H new ATOM 0 HG SER A 91 10.852 -17.880 20.436 1.00 0.00 H new TER 1452 SER A 91 HETATM 1453 P PO4 A 92 13.871 -28.363 14.738 1.00 0.00 P HETATM 1454 O1 PO4 A 92 13.763 -29.680 14.100 1.00 0.00 O HETATM 1455 O2 PO4 A 92 13.116 -27.361 13.971 1.00 0.00 O HETATM 1456 O3 PO4 A 92 13.365 -28.448 16.114 1.00 0.00 O HETATM 1457 O4 PO4 A 92 15.280 -27.935 14.795 1.00 0.00 O