USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 781 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 LYS NZ :NH3+ 178:sc= 1.16 (180deg=0) USER MOD Set 1.2: A 94 TYR OH : rot 180:sc= 0.964 USER MOD Set 2.1: A 62 ASN : amide:sc= -5.05! C(o=-5.1!,f=-5.1!) USER MOD Set 2.2: A 84 THR OG1 : rot 180:sc= -0.0788 USER MOD Single : A 1 ALA N :NH3+ 140:sc= 0.705 (180deg=0.0824) USER MOD Single : A 4 SER OG : rot 59:sc= -1.02! USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 112:sc= 1.28 USER MOD Single : A 17 GLN : amide:sc=-0.000171 X(o=-0.00017,f=-0.21) USER MOD Single : A 20 LYS NZ :NH3+ 156:sc= 1.28 (180deg=1.22) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -1.05 K(o=-1.1,f=-3.1!) USER MOD Single : A 40 SER OG : rot -94:sc= 0.667 USER MOD Single : A 44 SER OG : rot 155:sc= 1.24 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 169:sc= 1.01 (180deg=0.324) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.635 F(o=-1.4,f=-0.64) USER MOD Single : A 55 GLN : amide:sc= -0.269 K(o=-0.27,f=-0.95) USER MOD Single : A 56 ASN : amide:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.017) USER MOD Single : A 74 THR OG1 : rot 170:sc= -0.149 USER MOD Single : A 77 HIS : no HD1:sc= -3.41 K(o=-3.4,f=-5.2!) USER MOD Single : A 90 LYS NZ :NH3+ 178:sc= 0.845 (180deg=0.842) USER MOD Single : A 92 LYS NZ :NH3+ -144:sc= 0.0763 (180deg=-0.0552) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 16.164 -9.783 -1.855 1.00 0.00 N ATOM 2 CA ALA A 1 17.459 -10.079 -2.490 1.00 0.00 C ATOM 3 C ALA A 1 18.490 -9.052 -2.051 1.00 0.00 C ATOM 4 O ALA A 1 18.135 -8.002 -1.518 1.00 0.00 O ATOM 5 CB ALA A 1 17.348 -10.107 -4.020 1.00 0.00 C ATOM 0 H1 ALA A 1 15.397 -9.940 -2.540 1.00 0.00 H new ATOM 0 H2 ALA A 1 16.029 -10.408 -1.035 1.00 0.00 H new ATOM 0 H3 ALA A 1 16.150 -8.792 -1.541 1.00 0.00 H new ATOM 0 HA ALA A 1 17.775 -11.072 -2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 1 18.324 -10.328 -4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.636 -10.876 -4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.005 -9.136 -4.378 1.00 0.00 H new ATOM 13 N LEU A 2 19.774 -9.308 -2.314 1.00 0.00 N ATOM 14 CA LEU A 2 20.825 -8.321 -2.081 1.00 0.00 C ATOM 15 C LEU A 2 20.525 -7.071 -2.919 1.00 0.00 C ATOM 16 O LEU A 2 20.498 -5.947 -2.411 1.00 0.00 O ATOM 17 CB LEU A 2 22.190 -8.934 -2.453 1.00 0.00 C ATOM 18 CG LEU A 2 23.384 -8.241 -1.770 1.00 0.00 C ATOM 19 CD1 LEU A 2 23.589 -8.789 -0.357 1.00 0.00 C ATOM 20 CD2 LEU A 2 24.657 -8.490 -2.584 1.00 0.00 C ATOM 0 H LEU A 2 20.109 -10.195 -2.690 1.00 0.00 H new ATOM 0 HA LEU A 2 20.858 -8.034 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 2 22.190 -9.990 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 2 22.320 -8.882 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 2 23.175 -7.173 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 2 24.437 -8.287 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 2 22.692 -8.611 0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 2 23.784 -9.860 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 2 25.501 -7.999 -2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 2 24.847 -9.562 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 2 24.531 -8.087 -3.589 1.00 0.00 H new ATOM 32 N PHE A 3 20.315 -7.292 -4.219 1.00 0.00 N ATOM 33 CA PHE A 3 20.212 -6.297 -5.274 1.00 0.00 C ATOM 34 C PHE A 3 19.078 -6.730 -6.204 1.00 0.00 C ATOM 35 O PHE A 3 19.019 -7.898 -6.595 1.00 0.00 O ATOM 36 CB PHE A 3 21.532 -6.258 -6.077 1.00 0.00 C ATOM 37 CG PHE A 3 22.644 -5.360 -5.564 1.00 0.00 C ATOM 38 CD1 PHE A 3 23.167 -5.532 -4.273 1.00 0.00 C ATOM 39 CD2 PHE A 3 23.205 -4.371 -6.395 1.00 0.00 C ATOM 40 CE1 PHE A 3 24.188 -4.706 -3.787 1.00 0.00 C ATOM 41 CE2 PHE A 3 24.247 -3.556 -5.921 1.00 0.00 C ATOM 42 CZ PHE A 3 24.729 -3.710 -4.611 1.00 0.00 C ATOM 0 H PHE A 3 20.206 -8.239 -4.581 1.00 0.00 H new ATOM 0 HA PHE A 3 20.020 -5.310 -4.853 1.00 0.00 H new ATOM 0 HB2 PHE A 3 21.921 -7.275 -6.133 1.00 0.00 H new ATOM 0 HB3 PHE A 3 21.296 -5.951 -7.096 1.00 0.00 H new ATOM 0 HD1 PHE A 3 22.775 -6.316 -3.643 1.00 0.00 H new ATOM 0 HD2 PHE A 3 22.833 -4.238 -7.400 1.00 0.00 H new ATOM 0 HE1 PHE A 3 24.557 -4.836 -2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 3 24.680 -2.807 -6.568 1.00 0.00 H new ATOM 0 HZ PHE A 3 25.512 -3.065 -4.241 1.00 0.00 H new ATOM 52 N SER A 4 18.218 -5.794 -6.599 1.00 0.00 N ATOM 53 CA SER A 4 17.293 -5.922 -7.722 1.00 0.00 C ATOM 54 C SER A 4 17.033 -4.522 -8.289 1.00 0.00 C ATOM 55 O SER A 4 17.557 -3.531 -7.760 1.00 0.00 O ATOM 56 CB SER A 4 15.998 -6.655 -7.312 1.00 0.00 C ATOM 57 OG SER A 4 15.441 -6.226 -6.083 1.00 0.00 O ATOM 0 H SER A 4 18.144 -4.892 -6.128 1.00 0.00 H new ATOM 0 HA SER A 4 17.734 -6.541 -8.503 1.00 0.00 H new ATOM 0 HB2 SER A 4 15.256 -6.521 -8.099 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.205 -7.723 -7.248 1.00 0.00 H new ATOM 0 HG SER A 4 15.233 -5.270 -6.134 1.00 0.00 H new ATOM 63 N GLY A 5 16.279 -4.424 -9.382 1.00 0.00 N ATOM 64 CA GLY A 5 15.679 -3.165 -9.804 1.00 0.00 C ATOM 65 C GLY A 5 14.501 -2.860 -8.878 1.00 0.00 C ATOM 66 O GLY A 5 14.223 -1.700 -8.586 1.00 0.00 O ATOM 0 H GLY A 5 16.069 -5.211 -9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 5 16.414 -2.361 -9.761 1.00 0.00 H new ATOM 0 HA3 GLY A 5 15.341 -3.233 -10.838 1.00 0.00 H new ATOM 70 N ASP A 6 13.864 -3.907 -8.348 1.00 0.00 N ATOM 71 CA ASP A 6 12.770 -3.819 -7.389 1.00 0.00 C ATOM 72 C ASP A 6 13.337 -3.534 -6.007 1.00 0.00 C ATOM 73 O ASP A 6 14.553 -3.555 -5.787 1.00 0.00 O ATOM 74 CB ASP A 6 11.979 -5.144 -7.323 1.00 0.00 C ATOM 75 CG ASP A 6 11.392 -5.552 -8.665 1.00 0.00 C ATOM 76 OD1 ASP A 6 10.593 -4.778 -9.235 1.00 0.00 O ATOM 77 OD2 ASP A 6 11.802 -6.612 -9.190 1.00 0.00 O ATOM 0 H ASP A 6 14.107 -4.869 -8.585 1.00 0.00 H new ATOM 0 HA ASP A 6 12.102 -3.020 -7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 6 12.636 -5.936 -6.964 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.174 -5.044 -6.595 1.00 0.00 H new ATOM 82 N ILE A 7 12.436 -3.283 -5.064 1.00 0.00 N ATOM 83 CA ILE A 7 12.648 -3.286 -3.625 1.00 0.00 C ATOM 84 C ILE A 7 13.253 -4.616 -3.154 1.00 0.00 C ATOM 85 O ILE A 7 12.549 -5.547 -2.766 1.00 0.00 O ATOM 86 CB ILE A 7 11.321 -2.937 -2.935 1.00 0.00 C ATOM 87 CG1 ILE A 7 10.124 -3.800 -3.411 1.00 0.00 C ATOM 88 CG2 ILE A 7 10.936 -1.468 -3.153 1.00 0.00 C ATOM 89 CD1 ILE A 7 9.129 -4.121 -2.301 1.00 0.00 C ATOM 0 H ILE A 7 11.471 -3.056 -5.304 1.00 0.00 H new ATOM 0 HA ILE A 7 13.381 -2.528 -3.347 1.00 0.00 H new ATOM 0 HB ILE A 7 11.508 -3.141 -1.881 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.605 -3.276 -4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.502 -4.732 -3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.992 -1.261 -2.649 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.714 -0.823 -2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.828 -1.275 -4.220 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.318 -4.727 -2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.634 -4.672 -1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.723 -3.194 -1.897 1.00 0.00 H new ATOM 101 N ALA A 8 14.581 -4.695 -3.176 1.00 0.00 N ATOM 102 CA ALA A 8 15.314 -5.886 -2.768 1.00 0.00 C ATOM 103 C ALA A 8 15.375 -6.032 -1.263 1.00 0.00 C ATOM 104 O ALA A 8 15.416 -7.141 -0.734 1.00 0.00 O ATOM 105 CB ALA A 8 16.734 -5.891 -3.348 1.00 0.00 C ATOM 0 H ALA A 8 15.181 -3.928 -3.480 1.00 0.00 H new ATOM 0 HA ALA A 8 14.764 -6.738 -3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 8 17.256 -6.792 -3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.682 -5.871 -4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 8 17.275 -5.013 -2.994 1.00 0.00 H new ATOM 111 N ASN A 9 15.343 -4.884 -0.600 1.00 0.00 N ATOM 112 CA ASN A 9 15.477 -4.755 0.832 1.00 0.00 C ATOM 113 C ASN A 9 14.177 -5.107 1.526 1.00 0.00 C ATOM 114 O ASN A 9 14.176 -5.353 2.729 1.00 0.00 O ATOM 115 CB ASN A 9 15.802 -3.296 1.158 1.00 0.00 C ATOM 116 CG ASN A 9 17.273 -3.010 0.979 1.00 0.00 C ATOM 117 OD1 ASN A 9 18.049 -3.185 1.914 1.00 0.00 O ATOM 118 ND2 ASN A 9 17.668 -2.589 -0.210 1.00 0.00 N ATOM 0 H ASN A 9 15.218 -3.987 -1.069 1.00 0.00 H new ATOM 0 HA ASN A 9 16.263 -5.428 1.173 1.00 0.00 H new ATOM 0 HB2 ASN A 9 15.220 -2.638 0.512 1.00 0.00 H new ATOM 0 HB3 ASN A 9 15.509 -3.076 2.185 1.00 0.00 H new ATOM 0 HD21 ASN A 9 18.655 -2.395 -0.380 1.00 0.00 H new ATOM 0 HD22 ASN A 9 16.986 -2.458 -0.957 1.00 0.00 H new ATOM 125 N LEU A 10 13.074 -5.084 0.786 1.00 0.00 N ATOM 126 CA LEU A 10 11.753 -5.367 1.292 1.00 0.00 C ATOM 127 C LEU A 10 11.456 -6.838 0.994 1.00 0.00 C ATOM 128 O LEU A 10 10.664 -7.162 0.107 1.00 0.00 O ATOM 129 CB LEU A 10 10.817 -4.436 0.551 1.00 0.00 C ATOM 130 CG LEU A 10 10.774 -2.958 0.954 1.00 0.00 C ATOM 131 CD1 LEU A 10 10.048 -2.745 2.285 1.00 0.00 C ATOM 132 CD2 LEU A 10 12.117 -2.215 0.975 1.00 0.00 C ATOM 0 H LEU A 10 13.084 -4.861 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 10 11.646 -5.211 2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.075 -4.482 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.807 -4.835 0.651 1.00 0.00 H new ATOM 0 HG LEU A 10 10.209 -2.509 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.042 -1.683 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.022 -3.104 2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.562 -3.296 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 10 11.955 -1.180 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 10 12.789 -2.698 1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.562 -2.239 -0.020 1.00 0.00 H new ATOM 144 N THR A 11 12.110 -7.741 1.714 1.00 0.00 N ATOM 145 CA THR A 11 11.865 -9.165 1.617 1.00 0.00 C ATOM 146 C THR A 11 10.598 -9.496 2.409 1.00 0.00 C ATOM 147 O THR A 11 9.986 -8.632 3.024 1.00 0.00 O ATOM 148 CB THR A 11 13.127 -9.931 2.080 1.00 0.00 C ATOM 149 OG1 THR A 11 14.065 -9.099 2.751 1.00 0.00 O ATOM 150 CG2 THR A 11 13.855 -10.417 0.823 1.00 0.00 C ATOM 0 H THR A 11 12.834 -7.496 2.389 1.00 0.00 H new ATOM 0 HA THR A 11 11.683 -9.481 0.590 1.00 0.00 H new ATOM 0 HB THR A 11 12.796 -10.722 2.752 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.106 -9.350 3.697 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.753 -10.963 1.111 1.00 0.00 H new ATOM 0 HG22 THR A 11 13.198 -11.074 0.253 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.133 -9.560 0.209 1.00 0.00 H new ATOM 158 N ALA A 12 10.155 -10.743 2.382 1.00 0.00 N ATOM 159 CA ALA A 12 8.833 -11.150 2.855 1.00 0.00 C ATOM 160 C ALA A 12 8.705 -11.098 4.363 1.00 0.00 C ATOM 161 O ALA A 12 7.669 -10.649 4.855 1.00 0.00 O ATOM 162 CB ALA A 12 8.525 -12.555 2.324 1.00 0.00 C ATOM 0 H ALA A 12 10.712 -11.519 2.024 1.00 0.00 H new ATOM 0 HA ALA A 12 8.103 -10.438 2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.540 -12.868 2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.538 -12.543 1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.277 -13.255 2.688 1.00 0.00 H new ATOM 168 N ALA A 13 9.721 -11.528 5.106 1.00 0.00 N ATOM 169 CA ALA A 13 9.681 -11.316 6.551 1.00 0.00 C ATOM 170 C ALA A 13 10.104 -9.894 6.884 1.00 0.00 C ATOM 171 O ALA A 13 9.744 -9.375 7.936 1.00 0.00 O ATOM 172 CB ALA A 13 10.549 -12.307 7.305 1.00 0.00 C ATOM 0 H ALA A 13 10.550 -12.006 4.752 1.00 0.00 H new ATOM 0 HA ALA A 13 8.652 -11.477 6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.485 -12.107 8.375 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.203 -13.321 7.104 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.584 -12.206 6.979 1.00 0.00 H new ATOM 178 N GLU A 14 10.833 -9.233 5.987 1.00 0.00 N ATOM 179 CA GLU A 14 11.249 -7.870 6.191 1.00 0.00 C ATOM 180 C GLU A 14 10.029 -6.977 6.123 1.00 0.00 C ATOM 181 O GLU A 14 9.904 -6.066 6.936 1.00 0.00 O ATOM 182 CB GLU A 14 12.262 -7.503 5.092 1.00 0.00 C ATOM 183 CG GLU A 14 13.661 -7.214 5.639 1.00 0.00 C ATOM 184 CD GLU A 14 14.301 -8.484 6.190 1.00 0.00 C ATOM 185 OE1 GLU A 14 14.512 -9.443 5.412 1.00 0.00 O ATOM 186 OE2 GLU A 14 14.550 -8.552 7.416 1.00 0.00 O ATOM 0 H GLU A 14 11.145 -9.637 5.104 1.00 0.00 H new ATOM 0 HA GLU A 14 11.721 -7.742 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.321 -8.320 4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.902 -6.628 4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.287 -6.800 4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.601 -6.461 6.425 1.00 0.00 H new ATOM 193 N ILE A 15 9.123 -7.249 5.189 1.00 0.00 N ATOM 194 CA ILE A 15 7.854 -6.601 5.076 1.00 0.00 C ATOM 195 C ILE A 15 6.980 -7.010 6.244 1.00 0.00 C ATOM 196 O ILE A 15 6.565 -6.112 6.966 1.00 0.00 O ATOM 197 CB ILE A 15 7.291 -6.868 3.662 1.00 0.00 C ATOM 198 CG1 ILE A 15 7.896 -5.809 2.725 1.00 0.00 C ATOM 199 CG2 ILE A 15 5.770 -6.811 3.648 1.00 0.00 C ATOM 200 CD1 ILE A 15 7.560 -5.983 1.238 1.00 0.00 C ATOM 0 H ILE A 15 9.274 -7.957 4.470 1.00 0.00 H new ATOM 0 HA ILE A 15 7.919 -5.516 5.155 1.00 0.00 H new ATOM 0 HB ILE A 15 7.561 -7.871 3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.553 -4.825 3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.980 -5.822 2.840 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.408 -7.003 2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.371 -7.566 4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.440 -5.823 3.970 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.033 -5.187 0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.928 -6.949 0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.480 -5.937 1.101 1.00 0.00 H new ATOM 212 N GLU A 16 6.730 -8.301 6.471 1.00 0.00 N ATOM 213 CA GLU A 16 5.846 -8.680 7.573 1.00 0.00 C ATOM 214 C GLU A 16 6.294 -8.048 8.888 1.00 0.00 C ATOM 215 O GLU A 16 5.520 -7.328 9.504 1.00 0.00 O ATOM 216 CB GLU A 16 5.766 -10.195 7.729 1.00 0.00 C ATOM 217 CG GLU A 16 4.646 -10.820 6.880 1.00 0.00 C ATOM 218 CD GLU A 16 3.229 -10.507 7.390 1.00 0.00 C ATOM 219 OE1 GLU A 16 3.081 -10.028 8.540 1.00 0.00 O ATOM 220 OE2 GLU A 16 2.250 -10.790 6.669 1.00 0.00 O ATOM 0 H GLU A 16 7.111 -9.076 5.929 1.00 0.00 H new ATOM 0 HA GLU A 16 4.853 -8.304 7.326 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.721 -10.636 7.445 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.601 -10.440 8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.739 -10.464 5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.782 -11.901 6.856 1.00 0.00 H new ATOM 227 N GLN A 17 7.542 -8.243 9.317 1.00 0.00 N ATOM 228 CA GLN A 17 7.961 -7.737 10.614 1.00 0.00 C ATOM 229 C GLN A 17 8.359 -6.266 10.503 1.00 0.00 C ATOM 230 O GLN A 17 8.452 -5.591 11.529 1.00 0.00 O ATOM 231 CB GLN A 17 9.050 -8.661 11.161 1.00 0.00 C ATOM 232 CG GLN A 17 9.740 -8.231 12.458 1.00 0.00 C ATOM 233 CD GLN A 17 8.788 -7.981 13.630 1.00 0.00 C ATOM 234 OE1 GLN A 17 7.723 -8.587 13.749 1.00 0.00 O ATOM 235 NE2 GLN A 17 9.135 -7.083 14.534 1.00 0.00 N ATOM 0 H GLN A 17 8.264 -8.738 8.793 1.00 0.00 H new ATOM 0 HA GLN A 17 7.146 -7.750 11.337 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.610 -9.645 11.322 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.814 -8.775 10.393 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.456 -9.000 12.746 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.309 -7.321 12.268 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.016 -6.578 14.440 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.522 -6.894 15.327 1.00 0.00 H new ATOM 244 N GLY A 18 8.538 -5.738 9.291 1.00 0.00 N ATOM 245 CA GLY A 18 8.756 -4.330 9.058 1.00 0.00 C ATOM 246 C GLY A 18 7.480 -3.531 9.214 1.00 0.00 C ATOM 247 O GLY A 18 7.571 -2.345 9.526 1.00 0.00 O ATOM 0 H GLY A 18 8.534 -6.295 8.437 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.506 -3.958 9.756 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.155 -4.185 8.054 1.00 0.00 H new ATOM 251 N PHE A 19 6.319 -4.149 8.964 1.00 0.00 N ATOM 252 CA PHE A 19 5.056 -3.423 8.913 1.00 0.00 C ATOM 253 C PHE A 19 3.972 -4.008 9.822 1.00 0.00 C ATOM 254 O PHE A 19 2.865 -3.475 9.860 1.00 0.00 O ATOM 255 CB PHE A 19 4.654 -3.277 7.442 1.00 0.00 C ATOM 256 CG PHE A 19 5.731 -2.569 6.629 1.00 0.00 C ATOM 257 CD1 PHE A 19 6.098 -1.243 6.921 1.00 0.00 C ATOM 258 CD2 PHE A 19 6.474 -3.280 5.674 1.00 0.00 C ATOM 259 CE1 PHE A 19 7.169 -0.632 6.248 1.00 0.00 C ATOM 260 CE2 PHE A 19 7.597 -2.699 5.063 1.00 0.00 C ATOM 261 CZ PHE A 19 7.934 -1.367 5.329 1.00 0.00 C ATOM 0 H PHE A 19 6.234 -5.151 8.794 1.00 0.00 H new ATOM 0 HA PHE A 19 5.188 -2.426 9.334 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.467 -4.263 7.017 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.721 -2.718 7.374 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.551 -0.689 7.670 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.179 -4.284 5.406 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.404 0.405 6.438 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.203 -3.282 4.385 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.776 -0.908 4.831 1.00 0.00 H new ATOM 271 N LYS A 20 4.287 -5.036 10.622 1.00 0.00 N ATOM 272 CA LYS A 20 3.344 -5.707 11.529 1.00 0.00 C ATOM 273 C LYS A 20 2.695 -4.826 12.607 1.00 0.00 C ATOM 274 O LYS A 20 1.839 -5.320 13.351 1.00 0.00 O ATOM 275 CB LYS A 20 3.968 -6.982 12.145 1.00 0.00 C ATOM 276 CG LYS A 20 3.183 -8.230 11.703 1.00 0.00 C ATOM 277 CD LYS A 20 3.577 -9.462 12.524 1.00 0.00 C ATOM 278 CE LYS A 20 2.823 -10.725 12.083 1.00 0.00 C ATOM 279 NZ LYS A 20 3.407 -11.355 10.885 1.00 0.00 N ATOM 0 H LYS A 20 5.226 -5.434 10.658 1.00 0.00 H new ATOM 0 HA LYS A 20 2.511 -5.983 10.882 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.009 -7.071 11.836 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.964 -6.908 13.232 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.114 -8.046 11.812 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.368 -8.422 10.646 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.650 -9.631 12.429 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.376 -9.272 13.578 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.821 -11.445 12.901 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.783 -10.469 11.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.153 -12.363 10.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.039 -10.887 10.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.442 -11.260 10.912 1.00 0.00 H new ATOM 293 N ASP A 21 2.999 -3.530 12.669 1.00 0.00 N ATOM 294 CA ASP A 21 2.305 -2.583 13.546 1.00 0.00 C ATOM 295 C ASP A 21 0.945 -2.211 12.936 1.00 0.00 C ATOM 296 O ASP A 21 0.115 -1.565 13.580 1.00 0.00 O ATOM 297 CB ASP A 21 3.152 -1.316 13.734 1.00 0.00 C ATOM 298 CG ASP A 21 2.519 -0.306 14.696 1.00 0.00 C ATOM 299 OD1 ASP A 21 2.064 -0.702 15.792 1.00 0.00 O ATOM 300 OD2 ASP A 21 2.492 0.909 14.383 1.00 0.00 O ATOM 0 H ASP A 21 3.738 -3.104 12.110 1.00 0.00 H new ATOM 0 HA ASP A 21 2.149 -3.052 14.518 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.137 -1.597 14.108 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.303 -0.840 12.765 1.00 0.00 H new ATOM 305 N VAL A 22 0.665 -2.661 11.714 1.00 0.00 N ATOM 306 CA VAL A 22 -0.620 -2.596 11.032 1.00 0.00 C ATOM 307 C VAL A 22 -0.919 -4.022 10.523 1.00 0.00 C ATOM 308 O VAL A 22 0.001 -4.849 10.460 1.00 0.00 O ATOM 309 CB VAL A 22 -0.556 -1.545 9.897 1.00 0.00 C ATOM 310 CG1 VAL A 22 -1.705 -0.532 9.960 1.00 0.00 C ATOM 311 CG2 VAL A 22 0.722 -0.686 9.913 1.00 0.00 C ATOM 0 H VAL A 22 1.378 -3.109 11.139 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.428 -2.275 11.690 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.601 -2.162 9.000 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.608 0.180 9.140 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.657 -1.056 9.875 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.668 0.001 10.910 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.692 0.026 9.088 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.785 -0.145 10.857 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.595 -1.330 9.805 1.00 0.00 H new ATOM 321 N PRO A 23 -2.180 -4.371 10.212 1.00 0.00 N ATOM 322 CA PRO A 23 -2.496 -5.692 9.718 1.00 0.00 C ATOM 323 C PRO A 23 -2.145 -5.805 8.240 1.00 0.00 C ATOM 324 O PRO A 23 -1.814 -4.836 7.548 1.00 0.00 O ATOM 325 CB PRO A 23 -3.991 -5.888 9.956 1.00 0.00 C ATOM 326 CG PRO A 23 -4.541 -4.479 9.811 1.00 0.00 C ATOM 327 CD PRO A 23 -3.378 -3.554 10.184 1.00 0.00 C ATOM 0 HA PRO A 23 -1.921 -6.463 10.230 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.430 -6.571 9.229 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.193 -6.302 10.944 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.882 -4.292 8.793 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.396 -4.321 10.468 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.278 -2.748 9.458 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.551 -3.089 11.155 1.00 0.00 H new ATOM 335 N SER A 24 -2.305 -7.032 7.777 1.00 0.00 N ATOM 336 CA SER A 24 -2.149 -7.435 6.407 1.00 0.00 C ATOM 337 C SER A 24 -3.516 -7.791 5.833 1.00 0.00 C ATOM 338 O SER A 24 -4.521 -7.838 6.557 1.00 0.00 O ATOM 339 CB SER A 24 -1.125 -8.576 6.356 1.00 0.00 C ATOM 340 OG SER A 24 -1.489 -9.670 7.185 1.00 0.00 O ATOM 0 H SER A 24 -2.561 -7.809 8.386 1.00 0.00 H new ATOM 0 HA SER A 24 -1.760 -6.632 5.780 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.022 -8.922 5.328 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.150 -8.199 6.665 1.00 0.00 H new ATOM 0 HG SER A 24 -0.808 -10.372 7.118 1.00 0.00 H new ATOM 346 N PHE A 25 -3.580 -8.074 4.539 1.00 0.00 N ATOM 347 CA PHE A 25 -4.700 -8.732 3.920 1.00 0.00 C ATOM 348 C PHE A 25 -4.128 -9.698 2.910 1.00 0.00 C ATOM 349 O PHE A 25 -3.000 -9.540 2.428 1.00 0.00 O ATOM 350 CB PHE A 25 -5.614 -7.698 3.270 1.00 0.00 C ATOM 351 CG PHE A 25 -6.959 -8.216 2.805 1.00 0.00 C ATOM 352 CD1 PHE A 25 -8.045 -8.230 3.701 1.00 0.00 C ATOM 353 CD2 PHE A 25 -7.135 -8.676 1.485 1.00 0.00 C ATOM 354 CE1 PHE A 25 -9.297 -8.706 3.284 1.00 0.00 C ATOM 355 CE2 PHE A 25 -8.387 -9.173 1.080 1.00 0.00 C ATOM 356 CZ PHE A 25 -9.465 -9.189 1.976 1.00 0.00 C ATOM 0 H PHE A 25 -2.833 -7.843 3.884 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.309 -9.272 4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.782 -6.889 3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.095 -7.267 2.414 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -7.914 -7.873 4.712 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.312 -8.647 0.787 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -10.132 -8.701 3.969 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.518 -9.544 0.074 1.00 0.00 H new ATOM 0 HZ PHE A 25 -10.424 -9.573 1.661 1.00 0.00 H new ATOM 366 N VAL A 26 -4.943 -10.678 2.581 1.00 0.00 N ATOM 367 CA VAL A 26 -4.666 -11.671 1.590 1.00 0.00 C ATOM 368 C VAL A 26 -5.901 -11.773 0.713 1.00 0.00 C ATOM 369 O VAL A 26 -7.013 -11.906 1.227 1.00 0.00 O ATOM 370 CB VAL A 26 -4.230 -12.957 2.292 1.00 0.00 C ATOM 371 CG1 VAL A 26 -5.330 -13.672 3.075 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.632 -13.914 1.266 1.00 0.00 C ATOM 0 H VAL A 26 -5.854 -10.801 3.022 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.835 -11.425 0.929 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.494 -12.652 3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.922 -14.572 3.536 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.714 -13.009 3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.139 -13.946 2.398 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.320 -14.832 1.764 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.379 -14.148 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.769 -13.447 0.792 1.00 0.00 H new ATOM 382 N HIS A 27 -5.718 -11.676 -0.595 1.00 0.00 N ATOM 383 CA HIS A 27 -6.751 -11.974 -1.561 1.00 0.00 C ATOM 384 C HIS A 27 -6.362 -13.249 -2.296 1.00 0.00 C ATOM 385 O HIS A 27 -5.191 -13.620 -2.359 1.00 0.00 O ATOM 386 CB HIS A 27 -7.018 -10.764 -2.462 1.00 0.00 C ATOM 387 CG HIS A 27 -5.850 -9.949 -2.942 1.00 0.00 C ATOM 388 ND1 HIS A 27 -5.865 -8.580 -3.076 1.00 0.00 N ATOM 389 CD2 HIS A 27 -4.709 -10.413 -3.531 1.00 0.00 C ATOM 390 CE1 HIS A 27 -4.777 -8.230 -3.776 1.00 0.00 C ATOM 391 NE2 HIS A 27 -4.014 -9.307 -4.017 1.00 0.00 N ATOM 0 H HIS A 27 -4.836 -11.384 -1.015 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.709 -12.165 -1.077 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.557 -11.119 -3.341 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.690 -10.094 -1.925 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -6.575 -7.946 -2.709 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.402 -11.446 -3.606 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.547 -7.226 -4.100 1.00 0.00 H new ATOM 399 N GLU A 28 -7.343 -13.944 -2.843 1.00 0.00 N ATOM 400 CA GLU A 28 -7.178 -15.267 -3.447 1.00 0.00 C ATOM 401 C GLU A 28 -6.632 -15.165 -4.886 1.00 0.00 C ATOM 402 O GLU A 28 -7.163 -15.779 -5.811 1.00 0.00 O ATOM 403 CB GLU A 28 -8.474 -16.107 -3.409 1.00 0.00 C ATOM 404 CG GLU A 28 -8.941 -16.553 -2.017 1.00 0.00 C ATOM 405 CD GLU A 28 -9.896 -15.602 -1.301 1.00 0.00 C ATOM 406 OE1 GLU A 28 -10.576 -14.759 -1.933 1.00 0.00 O ATOM 407 OE2 GLU A 28 -9.985 -15.701 -0.057 1.00 0.00 O ATOM 0 H GLU A 28 -8.303 -13.601 -2.884 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.443 -15.792 -2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.273 -15.528 -3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.327 -16.995 -4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.428 -17.524 -2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.062 -16.697 -1.388 1.00 0.00 H new ATOM 414 N GLY A 29 -5.540 -14.425 -5.086 1.00 0.00 N ATOM 415 CA GLY A 29 -4.840 -14.352 -6.364 1.00 0.00 C ATOM 416 C GLY A 29 -5.607 -13.565 -7.423 1.00 0.00 C ATOM 417 O GLY A 29 -6.669 -12.990 -7.154 1.00 0.00 O ATOM 0 H GLY A 29 -5.114 -13.854 -4.356 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.865 -13.889 -6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.659 -15.362 -6.731 1.00 0.00 H new ATOM 421 N GLY A 30 -5.053 -13.536 -8.639 1.00 0.00 N ATOM 422 CA GLY A 30 -5.407 -12.597 -9.678 1.00 0.00 C ATOM 423 C GLY A 30 -4.800 -11.265 -9.275 1.00 0.00 C ATOM 424 O GLY A 30 -4.614 -10.991 -8.088 1.00 0.00 O ATOM 0 H GLY A 30 -4.325 -14.191 -8.924 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.022 -12.923 -10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.490 -12.517 -9.777 1.00 0.00 H new ATOM 428 N ASP A 31 -4.486 -10.430 -10.255 1.00 0.00 N ATOM 429 CA ASP A 31 -4.224 -9.033 -9.925 1.00 0.00 C ATOM 430 C ASP A 31 -5.488 -8.337 -9.434 1.00 0.00 C ATOM 431 O ASP A 31 -6.604 -8.825 -9.643 1.00 0.00 O ATOM 432 CB ASP A 31 -3.528 -8.228 -11.007 1.00 0.00 C ATOM 433 CG ASP A 31 -4.487 -7.674 -12.054 1.00 0.00 C ATOM 434 OD1 ASP A 31 -5.236 -6.725 -11.755 1.00 0.00 O ATOM 435 OD2 ASP A 31 -4.460 -8.171 -13.204 1.00 0.00 O ATOM 0 H ASP A 31 -4.408 -10.676 -11.242 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.499 -9.072 -9.112 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.988 -7.402 -10.545 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.787 -8.858 -11.499 1.00 0.00 H new ATOM 440 N VAL A 32 -5.316 -7.197 -8.764 1.00 0.00 N ATOM 441 CA VAL A 32 -6.381 -6.561 -8.012 1.00 0.00 C ATOM 442 C VAL A 32 -6.046 -5.091 -7.960 1.00 0.00 C ATOM 443 O VAL A 32 -4.939 -4.761 -7.563 1.00 0.00 O ATOM 444 CB VAL A 32 -6.492 -7.134 -6.599 1.00 0.00 C ATOM 445 CG1 VAL A 32 -7.598 -6.451 -5.771 1.00 0.00 C ATOM 446 CG2 VAL A 32 -6.766 -8.641 -6.549 1.00 0.00 C ATOM 0 H VAL A 32 -4.430 -6.693 -8.732 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.344 -6.737 -8.492 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.507 -6.936 -6.175 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.635 -6.895 -4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.383 -5.386 -5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.560 -6.588 -6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.830 -8.965 -5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.707 -8.857 -7.055 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.956 -9.175 -7.046 1.00 0.00 H new ATOM 456 N PRO A 33 -6.959 -4.199 -8.339 1.00 0.00 N ATOM 457 CA PRO A 33 -6.679 -2.790 -8.401 1.00 0.00 C ATOM 458 C PRO A 33 -6.589 -2.209 -7.002 1.00 0.00 C ATOM 459 O PRO A 33 -7.328 -2.578 -6.088 1.00 0.00 O ATOM 460 CB PRO A 33 -7.812 -2.196 -9.238 1.00 0.00 C ATOM 461 CG PRO A 33 -8.977 -3.120 -8.904 1.00 0.00 C ATOM 462 CD PRO A 33 -8.323 -4.484 -8.709 1.00 0.00 C ATOM 0 HA PRO A 33 -5.717 -2.561 -8.859 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.021 -1.162 -8.965 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.579 -2.203 -10.303 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.498 -2.795 -8.004 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.713 -3.141 -9.708 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.830 -5.057 -7.933 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.368 -5.077 -9.623 1.00 0.00 H new ATOM 470 N LEU A 34 -5.739 -1.197 -6.879 1.00 0.00 N ATOM 471 CA LEU A 34 -5.519 -0.344 -5.740 1.00 0.00 C ATOM 472 C LEU A 34 -6.839 0.013 -5.019 1.00 0.00 C ATOM 473 O LEU A 34 -6.959 -0.179 -3.807 1.00 0.00 O ATOM 474 CB LEU A 34 -4.710 0.797 -6.390 1.00 0.00 C ATOM 475 CG LEU A 34 -4.041 1.843 -5.515 1.00 0.00 C ATOM 476 CD1 LEU A 34 -3.261 1.279 -4.325 1.00 0.00 C ATOM 477 CD2 LEU A 34 -3.134 2.717 -6.386 1.00 0.00 C ATOM 0 H LEU A 34 -5.132 -0.936 -7.656 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.975 -0.771 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.932 0.337 -6.999 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.379 1.323 -7.071 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.843 2.432 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.819 2.099 -3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.937 0.716 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.471 0.620 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.650 3.471 -5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.375 2.095 -6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.731 3.209 -7.154 1.00 0.00 H new ATOM 489 N VAL A 35 -7.871 0.430 -5.761 1.00 0.00 N ATOM 490 CA VAL A 35 -9.181 0.875 -5.255 1.00 0.00 C ATOM 491 C VAL A 35 -10.116 -0.251 -4.816 1.00 0.00 C ATOM 492 O VAL A 35 -11.119 0.021 -4.143 1.00 0.00 O ATOM 493 CB VAL A 35 -9.768 1.884 -6.271 1.00 0.00 C ATOM 494 CG1 VAL A 35 -10.024 1.260 -7.652 1.00 0.00 C ATOM 495 CG2 VAL A 35 -11.026 2.620 -5.785 1.00 0.00 C ATOM 0 H VAL A 35 -7.816 0.469 -6.779 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.045 1.391 -4.305 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.983 2.634 -6.367 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.435 2.015 -8.322 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.086 0.884 -8.061 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.732 0.437 -7.554 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.368 3.306 -6.560 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.811 1.895 -5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.792 3.182 -4.881 1.00 0.00 H new ATOM 505 N GLU A 36 -9.746 -1.504 -5.065 1.00 0.00 N ATOM 506 CA GLU A 36 -10.387 -2.641 -4.441 1.00 0.00 C ATOM 507 C GLU A 36 -9.530 -3.217 -3.326 1.00 0.00 C ATOM 508 O GLU A 36 -10.111 -3.611 -2.312 1.00 0.00 O ATOM 509 CB GLU A 36 -10.770 -3.706 -5.484 1.00 0.00 C ATOM 510 CG GLU A 36 -11.843 -3.248 -6.493 1.00 0.00 C ATOM 511 CD GLU A 36 -13.019 -2.513 -5.837 1.00 0.00 C ATOM 512 OE1 GLU A 36 -13.453 -2.901 -4.721 1.00 0.00 O ATOM 513 OE2 GLU A 36 -13.435 -1.445 -6.340 1.00 0.00 O ATOM 0 H GLU A 36 -8.993 -1.752 -5.706 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.313 -2.293 -3.983 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.875 -4.000 -6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.132 -4.593 -4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.381 -2.593 -7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.221 -4.118 -7.030 1.00 0.00 H new ATOM 520 N LEU A 37 -8.194 -3.220 -3.423 1.00 0.00 N ATOM 521 CA LEU A 37 -7.380 -3.942 -2.466 1.00 0.00 C ATOM 522 C LEU A 37 -7.273 -3.127 -1.208 1.00 0.00 C ATOM 523 O LEU A 37 -7.175 -3.720 -0.149 1.00 0.00 O ATOM 524 CB LEU A 37 -5.987 -4.306 -3.021 1.00 0.00 C ATOM 525 CG LEU A 37 -5.060 -3.114 -3.340 1.00 0.00 C ATOM 526 CD1 LEU A 37 -4.185 -2.641 -2.173 1.00 0.00 C ATOM 527 CD2 LEU A 37 -4.105 -3.489 -4.471 1.00 0.00 C ATOM 0 H LEU A 37 -7.669 -2.733 -4.149 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.867 -4.893 -2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.485 -4.949 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.120 -4.892 -3.930 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.741 -2.303 -3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.570 -1.801 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.821 -2.328 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.541 -3.458 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.453 -2.644 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.501 -4.344 -4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.679 -3.747 -5.361 1.00 0.00 H new ATOM 539 N LEU A 38 -7.320 -1.792 -1.274 1.00 0.00 N ATOM 540 CA LEU A 38 -7.110 -0.973 -0.115 1.00 0.00 C ATOM 541 C LEU A 38 -8.439 -0.829 0.630 1.00 0.00 C ATOM 542 O LEU A 38 -8.466 -0.712 1.850 1.00 0.00 O ATOM 543 CB LEU A 38 -6.371 0.328 -0.502 1.00 0.00 C ATOM 544 CG LEU A 38 -7.149 1.649 -0.389 1.00 0.00 C ATOM 545 CD1 LEU A 38 -6.180 2.830 -0.539 1.00 0.00 C ATOM 546 CD2 LEU A 38 -8.321 1.807 -1.355 1.00 0.00 C ATOM 0 H LEU A 38 -7.504 -1.270 -2.131 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.434 -1.433 0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.481 0.408 0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.029 0.227 -1.532 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.605 1.632 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.732 3.766 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.427 2.785 0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.692 2.779 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.800 2.772 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.957 1.752 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.044 1.009 -1.183 1.00 0.00 H new ATOM 558 N VAL A 39 -9.556 -0.905 -0.089 1.00 0.00 N ATOM 559 CA VAL A 39 -10.890 -0.971 0.478 1.00 0.00 C ATOM 560 C VAL A 39 -11.019 -2.303 1.210 1.00 0.00 C ATOM 561 O VAL A 39 -11.352 -2.300 2.392 1.00 0.00 O ATOM 562 CB VAL A 39 -11.889 -0.766 -0.685 1.00 0.00 C ATOM 563 CG1 VAL A 39 -13.169 -1.618 -0.633 1.00 0.00 C ATOM 564 CG2 VAL A 39 -12.312 0.691 -0.877 1.00 0.00 C ATOM 0 H VAL A 39 -9.553 -0.923 -1.109 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.100 -0.197 1.216 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.295 -1.108 -1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.793 -1.390 -1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.903 -2.675 -0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.719 -1.393 0.281 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.013 0.760 -1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -12.792 1.053 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.434 1.300 -1.091 1.00 0.00 H new ATOM 574 N SER A 40 -10.707 -3.413 0.534 1.00 0.00 N ATOM 575 CA SER A 40 -10.842 -4.745 1.088 1.00 0.00 C ATOM 576 C SER A 40 -9.847 -4.907 2.227 1.00 0.00 C ATOM 577 O SER A 40 -10.200 -5.460 3.268 1.00 0.00 O ATOM 578 CB SER A 40 -10.618 -5.805 0.000 1.00 0.00 C ATOM 579 OG SER A 40 -11.300 -6.996 0.333 1.00 0.00 O ATOM 0 H SER A 40 -10.351 -3.402 -0.422 1.00 0.00 H new ATOM 0 HA SER A 40 -11.852 -4.883 1.475 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.972 -5.431 -0.961 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.552 -6.006 -0.109 1.00 0.00 H new ATOM 0 HG SER A 40 -10.689 -7.603 0.802 1.00 0.00 H new ATOM 585 N ALA A 41 -8.623 -4.377 2.076 1.00 0.00 N ATOM 586 CA ALA A 41 -7.635 -4.567 3.126 1.00 0.00 C ATOM 587 C ALA A 41 -7.874 -3.609 4.296 1.00 0.00 C ATOM 588 O ALA A 41 -7.392 -3.892 5.396 1.00 0.00 O ATOM 589 CB ALA A 41 -6.217 -4.507 2.559 1.00 0.00 C ATOM 0 H ALA A 41 -8.311 -3.837 1.269 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.751 -5.569 3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.497 -4.652 3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.090 -5.291 1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.052 -3.535 2.095 1.00 0.00 H new ATOM 595 N GLY A 42 -8.666 -2.542 4.116 1.00 0.00 N ATOM 596 CA GLY A 42 -9.198 -1.767 5.236 1.00 0.00 C ATOM 597 C GLY A 42 -8.404 -0.487 5.468 1.00 0.00 C ATOM 598 O GLY A 42 -8.453 0.124 6.537 1.00 0.00 O ATOM 0 H GLY A 42 -8.951 -2.198 3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.241 -1.517 5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.179 -2.375 6.140 1.00 0.00 H new ATOM 602 N ILE A 43 -7.712 -0.054 4.421 1.00 0.00 N ATOM 603 CA ILE A 43 -6.902 1.135 4.357 1.00 0.00 C ATOM 604 C ILE A 43 -7.897 2.285 4.172 1.00 0.00 C ATOM 605 O ILE A 43 -7.692 3.325 4.803 1.00 0.00 O ATOM 606 CB ILE A 43 -5.937 1.039 3.146 1.00 0.00 C ATOM 607 CG1 ILE A 43 -4.798 -0.003 3.174 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.247 2.396 2.897 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.232 -1.419 3.533 1.00 0.00 C ATOM 0 H ILE A 43 -7.708 -0.566 3.539 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.289 1.277 5.247 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.626 0.713 2.367 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.319 -0.023 2.195 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.044 0.323 3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.574 2.311 2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.001 3.155 2.689 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.678 2.682 3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.364 -2.078 3.527 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.682 -1.421 4.526 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.961 -1.772 2.804 1.00 0.00 H new ATOM 621 N SER A 44 -8.952 2.150 3.347 1.00 0.00 N ATOM 622 CA SER A 44 -9.974 3.186 3.250 1.00 0.00 C ATOM 623 C SER A 44 -11.227 2.560 2.653 1.00 0.00 C ATOM 624 O SER A 44 -11.213 2.249 1.468 1.00 0.00 O ATOM 625 CB SER A 44 -9.438 4.332 2.393 1.00 0.00 C ATOM 626 OG SER A 44 -10.216 5.491 2.577 1.00 0.00 O ATOM 0 H SER A 44 -9.110 1.340 2.748 1.00 0.00 H new ATOM 0 HA SER A 44 -10.226 3.596 4.228 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.401 4.537 2.658 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.448 4.043 1.342 1.00 0.00 H new ATOM 0 HG SER A 44 -9.675 6.283 2.377 1.00 0.00 H new ATOM 632 N PRO A 45 -12.290 2.304 3.436 1.00 0.00 N ATOM 633 CA PRO A 45 -13.478 1.631 2.928 1.00 0.00 C ATOM 634 C PRO A 45 -14.463 2.566 2.221 1.00 0.00 C ATOM 635 O PRO A 45 -15.314 2.111 1.458 1.00 0.00 O ATOM 636 CB PRO A 45 -14.118 0.999 4.164 1.00 0.00 C ATOM 637 CG PRO A 45 -13.766 1.981 5.282 1.00 0.00 C ATOM 638 CD PRO A 45 -12.379 2.482 4.880 1.00 0.00 C ATOM 0 HA PRO A 45 -13.206 0.905 2.162 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.196 0.891 4.048 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.717 0.005 4.361 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.487 2.796 5.344 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.752 1.494 6.257 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.248 3.529 5.153 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.598 1.920 5.391 1.00 0.00 H new ATOM 646 N SER A 46 -14.388 3.871 2.478 1.00 0.00 N ATOM 647 CA SER A 46 -15.376 4.809 1.977 1.00 0.00 C ATOM 648 C SER A 46 -14.910 5.177 0.581 1.00 0.00 C ATOM 649 O SER A 46 -13.935 5.904 0.478 1.00 0.00 O ATOM 650 CB SER A 46 -15.493 5.995 2.927 1.00 0.00 C ATOM 651 OG SER A 46 -16.379 6.977 2.427 1.00 0.00 O ATOM 0 H SER A 46 -13.647 4.299 3.034 1.00 0.00 H new ATOM 0 HA SER A 46 -16.383 4.395 1.924 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.843 5.650 3.900 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.509 6.437 3.081 1.00 0.00 H new ATOM 0 HG SER A 46 -16.432 7.723 3.061 1.00 0.00 H new ATOM 657 N LYS A 47 -15.505 4.653 -0.496 1.00 0.00 N ATOM 658 CA LYS A 47 -14.856 4.718 -1.813 1.00 0.00 C ATOM 659 C LYS A 47 -14.481 6.116 -2.325 1.00 0.00 C ATOM 660 O LYS A 47 -13.554 6.192 -3.124 1.00 0.00 O ATOM 661 CB LYS A 47 -15.600 3.878 -2.868 1.00 0.00 C ATOM 662 CG LYS A 47 -15.119 2.417 -2.786 1.00 0.00 C ATOM 663 CD LYS A 47 -15.822 1.490 -3.786 1.00 0.00 C ATOM 664 CE LYS A 47 -15.421 0.020 -3.580 1.00 0.00 C ATOM 665 NZ LYS A 47 -14.061 -0.307 -4.058 1.00 0.00 N ATOM 0 H LYS A 47 -16.413 4.189 -0.486 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.883 4.259 -1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.675 3.929 -2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -15.415 4.278 -3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.044 2.385 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.285 2.043 -1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -16.902 1.591 -3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.573 1.796 -4.802 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.489 -0.219 -2.519 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.139 -0.617 -4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.793 -1.254 -3.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.045 -0.292 -5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.386 0.394 -3.691 1.00 0.00 H new ATOM 679 N ARG A 48 -15.088 7.224 -1.872 1.00 0.00 N ATOM 680 CA ARG A 48 -14.543 8.552 -2.203 1.00 0.00 C ATOM 681 C ARG A 48 -13.229 8.779 -1.456 1.00 0.00 C ATOM 682 O ARG A 48 -12.244 9.222 -2.055 1.00 0.00 O ATOM 683 CB ARG A 48 -15.530 9.689 -1.875 1.00 0.00 C ATOM 684 CG ARG A 48 -15.482 10.872 -2.864 1.00 0.00 C ATOM 685 CD ARG A 48 -14.116 11.414 -3.344 1.00 0.00 C ATOM 686 NE ARG A 48 -13.273 12.058 -2.314 1.00 0.00 N ATOM 687 CZ ARG A 48 -13.362 13.328 -1.885 1.00 0.00 C ATOM 688 NH1 ARG A 48 -14.454 14.047 -2.146 1.00 0.00 N ATOM 689 NH2 ARG A 48 -12.376 13.892 -1.203 1.00 0.00 N ATOM 0 H ARG A 48 -15.929 7.232 -1.294 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.368 8.570 -3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.542 9.284 -1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.320 10.060 -0.872 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.046 10.579 -3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.019 11.702 -2.405 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.554 10.589 -3.781 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.294 12.135 -4.142 1.00 0.00 H new ATOM 0 HE ARG A 48 -12.551 11.479 -1.886 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.224 13.633 -2.672 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.520 15.011 -1.820 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.531 13.361 -0.995 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.462 14.858 -0.886 1.00 0.00 H new ATOM 703 N GLN A 49 -13.236 8.493 -0.149 1.00 0.00 N ATOM 704 CA GLN A 49 -12.062 8.611 0.692 1.00 0.00 C ATOM 705 C GLN A 49 -10.997 7.749 0.074 1.00 0.00 C ATOM 706 O GLN A 49 -9.935 8.255 -0.233 1.00 0.00 O ATOM 707 CB GLN A 49 -12.381 8.143 2.130 1.00 0.00 C ATOM 708 CG GLN A 49 -11.447 8.653 3.241 1.00 0.00 C ATOM 709 CD GLN A 49 -10.837 10.025 2.968 1.00 0.00 C ATOM 710 OE1 GLN A 49 -9.530 10.099 2.784 1.00 0.00 O flip ATOM 711 NE2 GLN A 49 -11.551 11.017 2.891 1.00 0.00 N flip ATOM 0 H GLN A 49 -14.067 8.172 0.348 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.729 9.647 0.758 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.398 8.451 2.371 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.366 7.053 2.145 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.004 8.696 4.177 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.642 7.932 3.382 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -12.557 10.934 3.037 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.140 11.926 2.681 1.00 0.00 H new ATOM 720 N ALA A 50 -11.340 6.495 -0.207 1.00 0.00 N ATOM 721 CA ALA A 50 -10.481 5.521 -0.808 1.00 0.00 C ATOM 722 C ALA A 50 -9.876 6.051 -2.093 1.00 0.00 C ATOM 723 O ALA A 50 -8.665 5.986 -2.263 1.00 0.00 O ATOM 724 CB ALA A 50 -11.245 4.222 -1.059 1.00 0.00 C ATOM 0 H ALA A 50 -12.271 6.129 -0.006 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.664 5.311 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.579 3.491 -1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.618 3.831 -0.113 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.084 4.417 -1.727 1.00 0.00 H new ATOM 730 N ARG A 51 -10.705 6.578 -3.002 1.00 0.00 N ATOM 731 CA ARG A 51 -10.175 7.048 -4.263 1.00 0.00 C ATOM 732 C ARG A 51 -9.226 8.212 -4.062 1.00 0.00 C ATOM 733 O ARG A 51 -8.262 8.270 -4.810 1.00 0.00 O ATOM 734 CB ARG A 51 -11.266 7.324 -5.310 1.00 0.00 C ATOM 735 CG ARG A 51 -10.640 7.245 -6.712 1.00 0.00 C ATOM 736 CD ARG A 51 -11.655 7.428 -7.840 1.00 0.00 C ATOM 737 NE ARG A 51 -11.109 6.951 -9.124 1.00 0.00 N ATOM 738 CZ ARG A 51 -11.347 5.761 -9.700 1.00 0.00 C ATOM 739 NH1 ARG A 51 -12.046 4.820 -9.063 1.00 0.00 N ATOM 740 NH2 ARG A 51 -10.909 5.509 -10.922 1.00 0.00 N ATOM 0 H ARG A 51 -11.713 6.683 -2.884 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.587 6.234 -4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.072 6.597 -5.215 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.704 8.309 -5.148 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.867 8.009 -6.801 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.148 6.279 -6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.569 6.882 -7.604 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.925 8.481 -7.924 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.489 7.588 -9.625 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.407 5.000 -8.126 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.219 3.921 -9.513 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.387 6.220 -11.433 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.093 4.603 -11.353 1.00 0.00 H new ATOM 754 N GLU A 52 -9.414 9.086 -3.071 1.00 0.00 N ATOM 755 CA GLU A 52 -8.402 10.133 -2.874 1.00 0.00 C ATOM 756 C GLU A 52 -7.210 9.659 -2.042 1.00 0.00 C ATOM 757 O GLU A 52 -6.083 10.079 -2.276 1.00 0.00 O ATOM 758 CB GLU A 52 -9.021 11.421 -2.344 1.00 0.00 C ATOM 759 CG GLU A 52 -8.033 12.584 -2.567 1.00 0.00 C ATOM 760 CD GLU A 52 -8.698 13.952 -2.428 1.00 0.00 C ATOM 761 OE1 GLU A 52 -9.779 14.024 -1.793 1.00 0.00 O ATOM 762 OE2 GLU A 52 -8.147 14.910 -3.019 1.00 0.00 O ATOM 0 H GLU A 52 -10.205 9.098 -2.427 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.993 10.363 -3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.962 11.624 -2.855 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.249 11.320 -1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.217 12.506 -1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.593 12.497 -3.560 1.00 0.00 H new ATOM 769 N ASP A 53 -7.421 8.707 -1.141 1.00 0.00 N ATOM 770 CA ASP A 53 -6.412 7.999 -0.383 1.00 0.00 C ATOM 771 C ASP A 53 -5.539 7.140 -1.266 1.00 0.00 C ATOM 772 O ASP A 53 -4.483 6.693 -0.824 1.00 0.00 O ATOM 773 CB ASP A 53 -7.131 7.103 0.624 1.00 0.00 C ATOM 774 CG ASP A 53 -7.451 7.792 1.943 1.00 0.00 C ATOM 775 OD1 ASP A 53 -6.715 8.711 2.366 1.00 0.00 O ATOM 776 OD2 ASP A 53 -8.401 7.346 2.624 1.00 0.00 O ATOM 0 H ASP A 53 -8.364 8.393 -0.910 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.767 8.727 0.109 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.059 6.744 0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.513 6.228 0.823 1.00 0.00 H new ATOM 781 N ILE A 54 -6.007 6.898 -2.483 1.00 0.00 N ATOM 782 CA ILE A 54 -5.254 6.408 -3.590 1.00 0.00 C ATOM 783 C ILE A 54 -4.666 7.591 -4.313 1.00 0.00 C ATOM 784 O ILE A 54 -3.460 7.631 -4.418 1.00 0.00 O ATOM 785 CB ILE A 54 -6.118 5.544 -4.516 1.00 0.00 C ATOM 786 CG1 ILE A 54 -6.364 4.253 -3.741 1.00 0.00 C ATOM 787 CG2 ILE A 54 -5.407 5.286 -5.856 1.00 0.00 C ATOM 788 CD1 ILE A 54 -7.361 3.348 -4.410 1.00 0.00 C ATOM 0 H ILE A 54 -6.987 7.054 -2.720 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.451 5.760 -3.238 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.056 6.033 -4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.420 3.721 -3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.719 4.498 -2.740 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.043 4.671 -6.493 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.208 6.236 -6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.465 4.768 -5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.493 2.447 -3.811 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.316 3.865 -4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.997 3.075 -5.401 1.00 0.00 H new ATOM 800 N GLN A 55 -5.481 8.502 -4.857 1.00 0.00 N ATOM 801 CA GLN A 55 -5.024 9.472 -5.841 1.00 0.00 C ATOM 802 C GLN A 55 -3.995 10.437 -5.279 1.00 0.00 C ATOM 803 O GLN A 55 -3.364 11.145 -6.060 1.00 0.00 O ATOM 804 CB GLN A 55 -6.180 10.316 -6.417 1.00 0.00 C ATOM 805 CG GLN A 55 -6.493 10.027 -7.890 1.00 0.00 C ATOM 806 CD GLN A 55 -7.553 8.951 -8.136 1.00 0.00 C ATOM 807 OE1 GLN A 55 -8.574 9.196 -8.780 1.00 0.00 O ATOM 808 NE2 GLN A 55 -7.325 7.733 -7.682 1.00 0.00 N ATOM 0 H GLN A 55 -6.471 8.582 -4.624 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.573 8.868 -6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.077 10.137 -5.824 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.933 11.372 -6.310 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.822 10.952 -8.362 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.571 9.726 -8.388 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.477 7.538 -7.149 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.996 6.987 -7.864 1.00 0.00 H new ATOM 817 N ASN A 56 -3.860 10.540 -3.961 1.00 0.00 N ATOM 818 CA ASN A 56 -2.816 11.331 -3.354 1.00 0.00 C ATOM 819 C ASN A 56 -1.560 10.520 -3.248 1.00 0.00 C ATOM 820 O ASN A 56 -1.552 9.406 -2.742 1.00 0.00 O ATOM 821 CB ASN A 56 -3.206 11.766 -1.929 1.00 0.00 C ATOM 822 CG ASN A 56 -4.089 13.006 -1.827 1.00 0.00 C ATOM 823 OD1 ASN A 56 -4.183 13.596 -0.752 1.00 0.00 O ATOM 824 ND2 ASN A 56 -4.749 13.440 -2.888 1.00 0.00 N ATOM 0 H ASN A 56 -4.474 10.075 -3.292 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.665 12.210 -3.981 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.722 10.936 -1.445 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.292 11.947 -1.363 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.340 14.268 -2.817 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.667 12.946 -3.777 1.00 0.00 H new ATOM 831 N GLY A 57 -0.456 11.183 -3.547 1.00 0.00 N ATOM 832 CA GLY A 57 0.894 10.697 -3.356 1.00 0.00 C ATOM 833 C GLY A 57 1.259 10.362 -1.905 1.00 0.00 C ATOM 834 O GLY A 57 2.404 10.019 -1.641 1.00 0.00 O ATOM 0 H GLY A 57 -0.481 12.120 -3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.033 9.804 -3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.591 11.448 -3.727 1.00 0.00 H new ATOM 838 N ALA A 58 0.298 10.401 -0.981 1.00 0.00 N ATOM 839 CA ALA A 58 0.475 10.014 0.402 1.00 0.00 C ATOM 840 C ALA A 58 0.452 8.495 0.537 1.00 0.00 C ATOM 841 O ALA A 58 0.805 7.995 1.601 1.00 0.00 O ATOM 842 CB ALA A 58 -0.696 10.563 1.220 1.00 0.00 C ATOM 0 H ALA A 58 -0.650 10.714 -1.190 1.00 0.00 H new ATOM 0 HA ALA A 58 1.430 10.405 0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.575 10.278 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.718 11.650 1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.631 10.152 0.838 1.00 0.00 H new ATOM 848 N ILE A 59 -0.005 7.756 -0.475 1.00 0.00 N ATOM 849 CA ILE A 59 0.064 6.307 -0.530 1.00 0.00 C ATOM 850 C ILE A 59 1.391 5.947 -1.209 1.00 0.00 C ATOM 851 O ILE A 59 1.594 5.897 -2.433 1.00 0.00 O ATOM 852 CB ILE A 59 -1.301 5.785 -0.974 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.525 4.281 -0.897 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.781 6.372 -2.300 1.00 0.00 C ATOM 855 CD1 ILE A 59 -0.679 3.498 -1.890 1.00 0.00 C ATOM 0 H ILE A 59 -0.444 8.167 -1.299 1.00 0.00 H new ATOM 0 HA ILE A 59 0.165 5.744 0.398 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.946 6.176 -0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.300 3.938 0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.578 4.067 -1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.756 5.955 -2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.862 7.455 -2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.068 6.125 -3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.886 2.433 -1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.921 3.815 -2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.377 3.684 -1.694 1.00 0.00 H new ATOM 867 N TYR A 60 2.351 5.803 -0.299 1.00 0.00 N ATOM 868 CA TYR A 60 3.679 5.344 -0.541 1.00 0.00 C ATOM 869 C TYR A 60 3.588 3.826 -0.540 1.00 0.00 C ATOM 870 O TYR A 60 3.622 3.189 0.509 1.00 0.00 O ATOM 871 CB TYR A 60 4.630 5.943 0.506 1.00 0.00 C ATOM 872 CG TYR A 60 4.476 7.438 0.780 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.918 8.398 -0.150 1.00 0.00 C ATOM 874 CD2 TYR A 60 3.897 7.880 1.986 1.00 0.00 C ATOM 875 CE1 TYR A 60 4.823 9.773 0.142 1.00 0.00 C ATOM 876 CE2 TYR A 60 3.794 9.245 2.286 1.00 0.00 C ATOM 877 CZ TYR A 60 4.264 10.202 1.366 1.00 0.00 C ATOM 878 OH TYR A 60 4.175 11.523 1.683 1.00 0.00 O ATOM 0 H TYR A 60 2.192 6.023 0.684 1.00 0.00 H new ATOM 0 HA TYR A 60 4.096 5.665 -1.496 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.488 5.406 1.444 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.655 5.757 0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.333 8.078 -1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.525 7.153 2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.179 10.501 -0.572 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.355 9.562 3.220 1.00 0.00 H new ATOM 0 HH TYR A 60 3.761 11.620 2.566 1.00 0.00 H new ATOM 888 N VAL A 61 3.429 3.221 -1.707 1.00 0.00 N ATOM 889 CA VAL A 61 3.388 1.772 -1.799 1.00 0.00 C ATOM 890 C VAL A 61 4.844 1.367 -1.710 1.00 0.00 C ATOM 891 O VAL A 61 5.682 1.975 -2.367 1.00 0.00 O ATOM 892 CB VAL A 61 2.758 1.313 -3.126 1.00 0.00 C ATOM 893 CG1 VAL A 61 3.672 1.535 -4.332 1.00 0.00 C ATOM 894 CG2 VAL A 61 2.432 -0.180 -3.112 1.00 0.00 C ATOM 0 H VAL A 61 3.327 3.708 -2.597 1.00 0.00 H new ATOM 0 HA VAL A 61 2.777 1.317 -1.020 1.00 0.00 H new ATOM 0 HB VAL A 61 1.857 1.919 -3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.171 1.191 -5.237 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.900 2.597 -4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.597 0.976 -4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.989 -0.465 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.347 -0.751 -2.952 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.727 -0.391 -2.308 1.00 0.00 H new ATOM 904 N ASN A 62 5.196 0.364 -0.916 1.00 0.00 N ATOM 905 CA ASN A 62 6.575 -0.121 -0.890 1.00 0.00 C ATOM 906 C ASN A 62 7.599 0.976 -0.546 1.00 0.00 C ATOM 907 O ASN A 62 8.776 0.883 -0.895 1.00 0.00 O ATOM 908 CB ASN A 62 6.847 -0.841 -2.207 1.00 0.00 C ATOM 909 CG ASN A 62 6.193 -2.202 -2.178 1.00 0.00 C ATOM 910 OD1 ASN A 62 6.128 -2.916 -1.183 1.00 0.00 O ATOM 911 ND2 ASN A 62 5.627 -2.559 -3.293 1.00 0.00 N ATOM 0 H ASN A 62 4.558 -0.126 -0.289 1.00 0.00 H new ATOM 0 HA ASN A 62 6.699 -0.832 -0.073 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.459 -0.256 -3.041 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.921 -0.944 -2.363 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.121 -3.443 -3.348 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.689 -1.955 -4.113 1.00 0.00 H new ATOM 918 N GLY A 63 7.133 2.034 0.121 1.00 0.00 N ATOM 919 CA GLY A 63 7.910 3.212 0.466 1.00 0.00 C ATOM 920 C GLY A 63 8.073 4.199 -0.691 1.00 0.00 C ATOM 921 O GLY A 63 8.968 5.042 -0.636 1.00 0.00 O ATOM 0 H GLY A 63 6.167 2.089 0.445 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.430 3.721 1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.897 2.899 0.807 1.00 0.00 H new ATOM 925 N GLU A 64 7.239 4.107 -1.724 1.00 0.00 N ATOM 926 CA GLU A 64 7.389 4.700 -3.042 1.00 0.00 C ATOM 927 C GLU A 64 6.059 5.371 -3.385 1.00 0.00 C ATOM 928 O GLU A 64 5.028 4.707 -3.377 1.00 0.00 O ATOM 929 CB GLU A 64 7.712 3.567 -4.039 1.00 0.00 C ATOM 930 CG GLU A 64 8.689 3.973 -5.134 1.00 0.00 C ATOM 931 CD GLU A 64 10.079 4.185 -4.551 1.00 0.00 C ATOM 932 OE1 GLU A 64 10.760 3.208 -4.165 1.00 0.00 O ATOM 933 OE2 GLU A 64 10.510 5.355 -4.443 1.00 0.00 O ATOM 0 H GLU A 64 6.373 3.572 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 64 8.190 5.438 -3.081 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.126 2.720 -3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.785 3.226 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.724 3.202 -5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.346 4.889 -5.616 1.00 0.00 H new ATOM 940 N ARG A 65 6.024 6.682 -3.621 1.00 0.00 N ATOM 941 CA ARG A 65 4.783 7.395 -3.906 1.00 0.00 C ATOM 942 C ARG A 65 4.187 6.813 -5.175 1.00 0.00 C ATOM 943 O ARG A 65 4.761 7.072 -6.232 1.00 0.00 O ATOM 944 CB ARG A 65 5.070 8.908 -4.062 1.00 0.00 C ATOM 945 CG ARG A 65 3.793 9.699 -4.383 1.00 0.00 C ATOM 946 CD ARG A 65 3.465 9.966 -5.863 1.00 0.00 C ATOM 947 NE ARG A 65 4.157 11.139 -6.410 1.00 0.00 N ATOM 948 CZ ARG A 65 3.841 11.724 -7.571 1.00 0.00 C ATOM 949 NH1 ARG A 65 3.110 11.079 -8.478 1.00 0.00 N ATOM 950 NH2 ARG A 65 4.254 12.962 -7.810 1.00 0.00 N ATOM 0 H ARG A 65 6.853 7.276 -3.620 1.00 0.00 H new ATOM 0 HA ARG A 65 4.073 7.279 -3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.514 9.291 -3.143 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.801 9.060 -4.856 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.950 9.165 -3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.859 10.662 -3.876 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.733 9.088 -6.451 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.389 10.105 -5.970 1.00 0.00 H new ATOM 0 HE ARG A 65 4.928 11.533 -5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.786 10.130 -8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.874 11.534 -9.360 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.807 13.459 -7.112 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.018 13.417 -8.692 1.00 0.00 H new ATOM 964 N LEU A 66 3.081 6.065 -5.117 1.00 0.00 N ATOM 965 CA LEU A 66 2.449 5.559 -6.335 1.00 0.00 C ATOM 966 C LEU A 66 0.940 5.581 -6.119 1.00 0.00 C ATOM 967 O LEU A 66 0.403 4.743 -5.404 1.00 0.00 O ATOM 968 CB LEU A 66 2.979 4.177 -6.706 1.00 0.00 C ATOM 969 CG LEU A 66 4.432 4.165 -7.224 1.00 0.00 C ATOM 970 CD1 LEU A 66 4.865 2.729 -7.441 1.00 0.00 C ATOM 971 CD2 LEU A 66 4.650 4.902 -8.550 1.00 0.00 C ATOM 0 H LEU A 66 2.611 5.800 -4.251 1.00 0.00 H new ATOM 0 HA LEU A 66 2.694 6.194 -7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.914 3.530 -5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.331 3.747 -7.470 1.00 0.00 H new ATOM 0 HG LEU A 66 5.014 4.685 -6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.891 2.710 -7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.806 2.185 -6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.209 2.258 -8.174 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.701 4.839 -8.833 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.037 4.443 -9.326 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.367 5.948 -8.435 1.00 0.00 H new ATOM 983 N GLN A 67 0.261 6.566 -6.708 1.00 0.00 N ATOM 984 CA GLN A 67 -1.159 6.838 -6.494 1.00 0.00 C ATOM 985 C GLN A 67 -2.039 6.325 -7.646 1.00 0.00 C ATOM 986 O GLN A 67 -3.125 6.860 -7.884 1.00 0.00 O ATOM 987 CB GLN A 67 -1.367 8.333 -6.142 1.00 0.00 C ATOM 988 CG GLN A 67 -0.675 9.478 -6.877 1.00 0.00 C ATOM 989 CD GLN A 67 -0.756 9.339 -8.394 1.00 0.00 C ATOM 990 OE1 GLN A 67 -1.782 9.654 -8.987 1.00 0.00 O ATOM 991 NE2 GLN A 67 0.280 8.893 -9.083 1.00 0.00 N ATOM 0 H GLN A 67 0.696 7.214 -7.365 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.501 6.265 -5.632 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.438 8.520 -6.222 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.102 8.440 -5.090 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.129 10.423 -6.578 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.372 9.518 -6.575 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.138 8.628 -8.600 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.221 8.814 -10.098 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.596 5.302 -8.388 1.00 0.00 N ATOM 1001 CA ASP A 68 -2.240 4.896 -9.635 1.00 0.00 C ATOM 1002 C ASP A 68 -2.496 3.392 -9.698 1.00 0.00 C ATOM 1003 O ASP A 68 -1.623 2.600 -9.357 1.00 0.00 O ATOM 1004 CB ASP A 68 -1.424 5.385 -10.833 1.00 0.00 C ATOM 1005 CG ASP A 68 -2.342 5.689 -12.014 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -3.131 4.809 -12.422 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -2.293 6.834 -12.518 1.00 0.00 O ATOM 0 H ASP A 68 -0.784 4.737 -8.139 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.222 5.368 -9.670 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.865 6.280 -10.559 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.694 4.627 -11.117 1.00 0.00 H new ATOM 1012 N VAL A 69 -3.674 2.991 -10.170 1.00 0.00 N ATOM 1013 CA VAL A 69 -4.022 1.623 -10.569 1.00 0.00 C ATOM 1014 C VAL A 69 -3.052 1.116 -11.633 1.00 0.00 C ATOM 1015 O VAL A 69 -2.563 -0.008 -11.548 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.506 1.648 -10.999 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -5.820 2.511 -12.230 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -6.104 0.258 -11.197 1.00 0.00 C ATOM 0 H VAL A 69 -4.452 3.640 -10.292 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.920 0.908 -9.753 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.983 2.126 -10.144 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.887 2.460 -12.448 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.539 3.545 -12.031 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.257 2.141 -13.087 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.148 0.350 -11.498 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.548 -0.270 -11.972 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.044 -0.300 -10.263 1.00 0.00 H new ATOM 1028 N GLY A 70 -2.660 1.986 -12.560 1.00 0.00 N ATOM 1029 CA GLY A 70 -1.658 1.642 -13.553 1.00 0.00 C ATOM 1030 C GLY A 70 -0.256 1.531 -12.972 1.00 0.00 C ATOM 1031 O GLY A 70 0.646 1.043 -13.653 1.00 0.00 O ATOM 0 H GLY A 70 -3.025 2.935 -12.641 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.928 0.695 -14.020 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.660 2.397 -14.340 1.00 0.00 H new ATOM 1035 N ALA A 71 -0.046 2.000 -11.743 1.00 0.00 N ATOM 1036 CA ALA A 71 1.173 1.785 -10.985 1.00 0.00 C ATOM 1037 C ALA A 71 1.079 0.528 -10.119 1.00 0.00 C ATOM 1038 O ALA A 71 2.090 -0.169 -9.972 1.00 0.00 O ATOM 1039 CB ALA A 71 1.529 3.019 -10.153 1.00 0.00 C ATOM 0 H ALA A 71 -0.740 2.553 -11.240 1.00 0.00 H new ATOM 0 HA ALA A 71 1.983 1.624 -11.697 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.446 2.830 -9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.676 3.873 -10.814 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.719 3.234 -9.456 1.00 0.00 H new ATOM 1045 N ILE A 72 -0.085 0.202 -9.528 1.00 0.00 N ATOM 1046 CA ILE A 72 -0.200 -0.920 -8.617 1.00 0.00 C ATOM 1047 C ILE A 72 -1.531 -1.664 -8.793 1.00 0.00 C ATOM 1048 O ILE A 72 -2.601 -1.081 -8.598 1.00 0.00 O ATOM 1049 CB ILE A 72 -0.033 -0.494 -7.158 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.009 0.609 -6.888 1.00 0.00 C ATOM 1051 CG2 ILE A 72 0.447 -1.752 -6.396 1.00 0.00 C ATOM 1052 CD1 ILE A 72 0.469 1.588 -5.859 1.00 0.00 C ATOM 0 H ILE A 72 -0.956 0.711 -9.675 1.00 0.00 H new ATOM 0 HA ILE A 72 0.613 -1.600 -8.870 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.993 -0.083 -6.845 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.937 0.165 -6.528 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.245 1.134 -7.814 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.585 -1.509 -5.342 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.298 -2.542 -6.492 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.393 -2.093 -6.816 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.210 2.365 -5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.447 2.043 -6.235 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.256 1.059 -4.930 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.444 -2.961 -9.096 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.520 -3.915 -8.974 1.00 0.00 C ATOM 1066 C LEU A 73 -2.019 -4.790 -7.813 1.00 0.00 C ATOM 1067 O LEU A 73 -2.117 -4.363 -6.664 1.00 0.00 O ATOM 1068 CB LEU A 73 -2.879 -4.596 -10.312 1.00 0.00 C ATOM 1069 CG LEU A 73 -3.272 -3.578 -11.413 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.424 -4.187 -12.809 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.562 -2.822 -11.126 1.00 0.00 C ATOM 0 H LEU A 73 -0.583 -3.380 -9.446 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.504 -3.506 -8.744 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.029 -5.186 -10.655 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.705 -5.290 -10.152 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.423 -2.894 -11.397 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.700 -3.407 -13.518 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.480 -4.637 -13.114 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.201 -4.951 -12.790 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.768 -2.130 -11.943 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.386 -3.530 -11.034 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.457 -2.264 -10.195 1.00 0.00 H new ATOM 1083 N THR A 74 -1.342 -5.913 -8.060 1.00 0.00 N ATOM 1084 CA THR A 74 -0.887 -6.818 -7.001 1.00 0.00 C ATOM 1085 C THR A 74 0.580 -6.682 -6.598 1.00 0.00 C ATOM 1086 O THR A 74 1.307 -5.776 -7.000 1.00 0.00 O ATOM 1087 CB THR A 74 -1.248 -8.262 -7.395 1.00 0.00 C ATOM 1088 OG1 THR A 74 -1.168 -8.457 -8.789 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.642 -8.496 -6.848 1.00 0.00 C ATOM 0 H THR A 74 -1.093 -6.221 -9.000 1.00 0.00 H new ATOM 0 HA THR A 74 -1.415 -6.524 -6.094 1.00 0.00 H new ATOM 0 HB THR A 74 -0.545 -8.984 -6.979 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.244 -9.413 -8.990 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.964 -9.508 -7.093 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.634 -8.370 -5.765 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.332 -7.779 -7.292 1.00 0.00 H new ATOM 1097 N ALA A 75 1.025 -7.607 -5.745 1.00 0.00 N ATOM 1098 CA ALA A 75 2.396 -7.721 -5.311 1.00 0.00 C ATOM 1099 C ALA A 75 3.356 -7.895 -6.476 1.00 0.00 C ATOM 1100 O ALA A 75 4.341 -7.168 -6.538 1.00 0.00 O ATOM 1101 CB ALA A 75 2.499 -8.899 -4.338 1.00 0.00 C ATOM 0 H ALA A 75 0.414 -8.312 -5.332 1.00 0.00 H new ATOM 0 HA ALA A 75 2.685 -6.795 -4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.530 -9.001 -3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.850 -8.720 -3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.190 -9.815 -4.842 1.00 0.00 H new ATOM 1107 N GLU A 76 3.085 -8.827 -7.387 1.00 0.00 N ATOM 1108 CA GLU A 76 3.891 -9.037 -8.592 1.00 0.00 C ATOM 1109 C GLU A 76 3.754 -7.872 -9.574 1.00 0.00 C ATOM 1110 O GLU A 76 4.596 -7.701 -10.463 1.00 0.00 O ATOM 1111 CB GLU A 76 3.556 -10.427 -9.170 1.00 0.00 C ATOM 1112 CG GLU A 76 3.484 -10.614 -10.693 1.00 0.00 C ATOM 1113 CD GLU A 76 2.139 -10.227 -11.313 1.00 0.00 C ATOM 1114 OE1 GLU A 76 1.412 -9.368 -10.778 1.00 0.00 O ATOM 1115 OE2 GLU A 76 1.792 -10.809 -12.371 1.00 0.00 O ATOM 0 H GLU A 76 2.293 -9.465 -7.311 1.00 0.00 H new ATOM 0 HA GLU A 76 4.954 -9.041 -8.351 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.300 -11.127 -8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.593 -10.729 -8.758 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.270 -10.018 -11.158 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.693 -11.657 -10.929 1.00 0.00 H new ATOM 1122 N HIS A 77 2.756 -7.014 -9.369 1.00 0.00 N ATOM 1123 CA HIS A 77 2.625 -5.802 -10.143 1.00 0.00 C ATOM 1124 C HIS A 77 3.544 -4.723 -9.562 1.00 0.00 C ATOM 1125 O HIS A 77 3.837 -3.758 -10.269 1.00 0.00 O ATOM 1126 CB HIS A 77 1.162 -5.363 -10.146 1.00 0.00 C ATOM 1127 CG HIS A 77 0.842 -4.258 -11.104 1.00 0.00 C ATOM 1128 ND1 HIS A 77 1.143 -2.939 -10.898 1.00 0.00 N ATOM 1129 CD2 HIS A 77 -0.019 -4.328 -12.160 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.408 -2.217 -11.746 1.00 0.00 C ATOM 1131 NE2 HIS A 77 -0.242 -3.019 -12.607 1.00 0.00 N ATOM 0 H HIS A 77 2.028 -7.146 -8.667 1.00 0.00 H new ATOM 0 HA HIS A 77 2.927 -5.974 -11.176 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.539 -6.225 -10.385 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.891 -5.043 -9.140 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.450 -5.227 -12.575 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.344 -1.139 -11.741 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.787 -2.733 -13.420 1.00 0.00 H new ATOM 1139 N ARG A 78 4.011 -4.844 -8.306 1.00 0.00 N ATOM 1140 CA ARG A 78 4.743 -3.769 -7.650 1.00 0.00 C ATOM 1141 C ARG A 78 6.195 -4.167 -7.435 1.00 0.00 C ATOM 1142 O ARG A 78 7.083 -3.461 -7.904 1.00 0.00 O ATOM 1143 CB ARG A 78 4.051 -3.289 -6.375 1.00 0.00 C ATOM 1144 CG ARG A 78 4.354 -1.818 -6.016 1.00 0.00 C ATOM 1145 CD ARG A 78 4.262 -0.799 -7.170 1.00 0.00 C ATOM 1146 NE ARG A 78 5.554 -0.601 -7.850 1.00 0.00 N ATOM 1147 CZ ARG A 78 5.808 -0.585 -9.167 1.00 0.00 C ATOM 1148 NH1 ARG A 78 4.847 -0.795 -10.057 1.00 0.00 N ATOM 1149 NH2 ARG A 78 7.039 -0.332 -9.591 1.00 0.00 N ATOM 0 H ARG A 78 3.889 -5.679 -7.733 1.00 0.00 H new ATOM 0 HA ARG A 78 4.744 -2.904 -8.313 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.974 -3.411 -6.490 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.357 -3.926 -5.545 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.664 -1.509 -5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.358 -1.769 -5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.522 -1.140 -7.894 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.910 0.156 -6.780 1.00 0.00 H new ATOM 0 HE ARG A 78 6.359 -0.458 -7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.893 -0.973 -9.745 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.063 -0.778 -11.054 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.783 -0.152 -8.917 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.241 -0.318 -10.591 1.00 0.00 H new ATOM 1163 N LEU A 79 6.454 -5.239 -6.679 1.00 0.00 N ATOM 1164 CA LEU A 79 7.728 -5.902 -6.576 1.00 0.00 C ATOM 1165 C LEU A 79 7.795 -6.995 -7.635 1.00 0.00 C ATOM 1166 O LEU A 79 6.851 -7.219 -8.389 1.00 0.00 O ATOM 1167 CB LEU A 79 7.922 -6.477 -5.152 1.00 0.00 C ATOM 1168 CG LEU A 79 6.752 -6.764 -4.198 1.00 0.00 C ATOM 1169 CD1 LEU A 79 7.323 -7.510 -2.977 1.00 0.00 C ATOM 1170 CD2 LEU A 79 6.113 -5.456 -3.764 1.00 0.00 C ATOM 0 H LEU A 79 5.737 -5.677 -6.101 1.00 0.00 H new ATOM 0 HA LEU A 79 8.537 -5.192 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.463 -7.416 -5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.586 -5.789 -4.629 1.00 0.00 H new ATOM 0 HG LEU A 79 5.989 -7.368 -4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.518 -7.731 -2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.786 -8.441 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.070 -6.886 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.284 -5.663 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.854 -4.841 -3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.742 -4.924 -4.640 1.00 0.00 H new ATOM 1182 N GLU A 80 8.899 -7.739 -7.620 1.00 0.00 N ATOM 1183 CA GLU A 80 9.018 -9.017 -8.302 1.00 0.00 C ATOM 1184 C GLU A 80 7.819 -9.918 -7.983 1.00 0.00 C ATOM 1185 O GLU A 80 7.312 -10.584 -8.883 1.00 0.00 O ATOM 1186 CB GLU A 80 10.365 -9.654 -7.926 1.00 0.00 C ATOM 1187 CG GLU A 80 10.498 -10.033 -6.436 1.00 0.00 C ATOM 1188 CD GLU A 80 11.932 -9.973 -5.889 1.00 0.00 C ATOM 1189 OE1 GLU A 80 12.914 -9.879 -6.656 1.00 0.00 O ATOM 1190 OE2 GLU A 80 12.107 -9.996 -4.644 1.00 0.00 O ATOM 0 H GLU A 80 9.747 -7.463 -7.125 1.00 0.00 H new ATOM 0 HA GLU A 80 9.003 -8.873 -9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.511 -10.549 -8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.166 -8.961 -8.185 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.870 -9.365 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 80 10.111 -11.042 -6.295 1.00 0.00 H new ATOM 1197 N GLY A 81 7.306 -9.875 -6.745 1.00 0.00 N ATOM 1198 CA GLY A 81 6.093 -10.540 -6.334 1.00 0.00 C ATOM 1199 C GLY A 81 6.268 -11.286 -5.030 1.00 0.00 C ATOM 1200 O GLY A 81 6.732 -12.423 -5.026 1.00 0.00 O ATOM 0 H GLY A 81 7.750 -9.355 -5.988 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.295 -9.805 -6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.781 -11.237 -7.111 1.00 0.00 H new ATOM 1204 N ARG A 82 5.940 -10.645 -3.907 1.00 0.00 N ATOM 1205 CA ARG A 82 5.752 -11.358 -2.636 1.00 0.00 C ATOM 1206 C ARG A 82 4.544 -10.760 -1.930 1.00 0.00 C ATOM 1207 O ARG A 82 3.514 -11.401 -1.761 1.00 0.00 O ATOM 1208 CB ARG A 82 6.999 -11.331 -1.716 1.00 0.00 C ATOM 1209 CG ARG A 82 8.233 -12.121 -2.189 1.00 0.00 C ATOM 1210 CD ARG A 82 9.133 -11.323 -3.149 1.00 0.00 C ATOM 1211 NE ARG A 82 10.310 -12.075 -3.609 1.00 0.00 N ATOM 1212 CZ ARG A 82 10.333 -13.138 -4.427 1.00 0.00 C ATOM 1213 NH1 ARG A 82 9.222 -13.711 -4.874 1.00 0.00 N ATOM 1214 NH2 ARG A 82 11.497 -13.625 -4.829 1.00 0.00 N ATOM 0 H ARG A 82 5.799 -9.637 -3.848 1.00 0.00 H new ATOM 0 HA ARG A 82 5.589 -12.412 -2.863 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.295 -10.291 -1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.707 -11.713 -0.738 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.818 -12.423 -1.320 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.904 -13.034 -2.685 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.546 -11.017 -4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.465 -10.412 -2.651 1.00 0.00 H new ATOM 0 HE ARG A 82 11.214 -11.751 -3.266 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.312 -13.344 -4.596 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.279 -14.518 -5.495 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.366 -13.192 -4.517 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.524 -14.433 -5.451 1.00 0.00 H new ATOM 1228 N PHE A 83 4.681 -9.492 -1.567 1.00 0.00 N ATOM 1229 CA PHE A 83 3.729 -8.695 -0.815 1.00 0.00 C ATOM 1230 C PHE A 83 3.623 -7.338 -1.508 1.00 0.00 C ATOM 1231 O PHE A 83 4.146 -7.153 -2.602 1.00 0.00 O ATOM 1232 CB PHE A 83 4.270 -8.528 0.610 1.00 0.00 C ATOM 1233 CG PHE A 83 4.020 -9.674 1.562 1.00 0.00 C ATOM 1234 CD1 PHE A 83 2.850 -9.681 2.345 1.00 0.00 C ATOM 1235 CD2 PHE A 83 4.996 -10.668 1.752 1.00 0.00 C ATOM 1236 CE1 PHE A 83 2.695 -10.620 3.375 1.00 0.00 C ATOM 1237 CE2 PHE A 83 4.809 -11.642 2.745 1.00 0.00 C ATOM 1238 CZ PHE A 83 3.681 -11.595 3.575 1.00 0.00 C ATOM 0 H PHE A 83 5.517 -8.960 -1.808 1.00 0.00 H new ATOM 0 HA PHE A 83 2.746 -9.164 -0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.346 -8.362 0.550 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.832 -7.626 1.038 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.069 -8.961 2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 83 5.884 -10.682 1.138 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.822 -10.592 4.010 1.00 0.00 H new ATOM 0 HE2 PHE A 83 5.537 -12.430 2.870 1.00 0.00 H new ATOM 0 HZ PHE A 83 3.571 -12.314 4.373 1.00 0.00 H new ATOM 1248 N THR A 84 2.973 -6.364 -0.896 1.00 0.00 N ATOM 1249 CA THR A 84 3.067 -4.968 -1.254 1.00 0.00 C ATOM 1250 C THR A 84 2.725 -4.211 0.031 1.00 0.00 C ATOM 1251 O THR A 84 1.699 -4.472 0.665 1.00 0.00 O ATOM 1252 CB THR A 84 2.150 -4.714 -2.462 1.00 0.00 C ATOM 1253 OG1 THR A 84 2.972 -4.503 -3.573 1.00 0.00 O ATOM 1254 CG2 THR A 84 1.160 -3.553 -2.364 1.00 0.00 C ATOM 0 H THR A 84 2.345 -6.534 -0.110 1.00 0.00 H new ATOM 0 HA THR A 84 4.047 -4.628 -1.589 1.00 0.00 H new ATOM 0 HB THR A 84 1.514 -5.597 -2.527 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.417 -4.339 -4.364 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.580 -3.491 -3.285 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.488 -3.718 -1.522 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.706 -2.621 -2.216 1.00 0.00 H new ATOM 1262 N VAL A 85 3.631 -3.338 0.460 1.00 0.00 N ATOM 1263 CA VAL A 85 3.408 -2.435 1.588 1.00 0.00 C ATOM 1264 C VAL A 85 2.564 -1.282 1.056 1.00 0.00 C ATOM 1265 O VAL A 85 2.785 -0.844 -0.070 1.00 0.00 O ATOM 1266 CB VAL A 85 4.750 -1.886 2.125 1.00 0.00 C ATOM 1267 CG1 VAL A 85 4.582 -1.166 3.472 1.00 0.00 C ATOM 1268 CG2 VAL A 85 5.822 -2.967 2.287 1.00 0.00 C ATOM 0 H VAL A 85 4.551 -3.235 0.031 1.00 0.00 H new ATOM 0 HA VAL A 85 2.914 -2.958 2.407 1.00 0.00 H new ATOM 0 HB VAL A 85 5.081 -1.178 1.366 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.550 -0.797 3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.896 -0.328 3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.181 -1.862 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.739 -2.516 2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.472 -3.724 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.020 -3.431 1.321 1.00 0.00 H new ATOM 1278 N ILE A 86 1.668 -0.724 1.860 1.00 0.00 N ATOM 1279 CA ILE A 86 0.854 0.431 1.527 1.00 0.00 C ATOM 1280 C ILE A 86 1.017 1.414 2.672 1.00 0.00 C ATOM 1281 O ILE A 86 0.272 1.352 3.648 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.610 -0.008 1.327 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -0.794 -0.894 0.074 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -1.525 1.221 1.217 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -0.672 -0.121 -1.248 1.00 0.00 C ATOM 0 H ILE A 86 1.484 -1.080 2.798 1.00 0.00 H new ATOM 0 HA ILE A 86 1.162 0.904 0.594 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.883 -0.601 2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.050 -1.690 0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.773 -1.371 0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.556 0.896 1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.453 1.811 2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.217 1.829 0.366 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.812 -0.806 -2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.433 0.658 -1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.316 0.334 -1.313 1.00 0.00 H new ATOM 1297 N ARG A 87 1.987 2.322 2.576 1.00 0.00 N ATOM 1298 CA ARG A 87 2.234 3.326 3.601 1.00 0.00 C ATOM 1299 C ARG A 87 1.398 4.504 3.161 1.00 0.00 C ATOM 1300 O ARG A 87 1.909 5.407 2.515 1.00 0.00 O ATOM 1301 CB ARG A 87 3.754 3.576 3.779 1.00 0.00 C ATOM 1302 CG ARG A 87 4.122 4.751 4.708 1.00 0.00 C ATOM 1303 CD ARG A 87 5.606 4.738 5.130 1.00 0.00 C ATOM 1304 NE ARG A 87 6.520 5.189 4.069 1.00 0.00 N ATOM 1305 CZ ARG A 87 7.835 4.928 4.008 1.00 0.00 C ATOM 1306 NH1 ARG A 87 8.457 4.200 4.935 1.00 0.00 N ATOM 1307 NH2 ARG A 87 8.530 5.418 2.992 1.00 0.00 N ATOM 0 H ARG A 87 2.624 2.379 1.781 1.00 0.00 H new ATOM 0 HA ARG A 87 1.940 3.038 4.610 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.212 2.667 4.170 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.193 3.758 2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.901 5.691 4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.495 4.714 5.599 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.733 5.377 6.004 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.881 3.727 5.431 1.00 0.00 H new ATOM 0 HE ARG A 87 6.120 5.748 3.315 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.932 3.821 5.723 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.458 4.022 4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.064 5.979 2.279 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.531 5.234 2.923 1.00 0.00 H new ATOM 1321 N ARG A 88 0.099 4.494 3.464 1.00 0.00 N ATOM 1322 CA ARG A 88 -0.714 5.676 3.298 1.00 0.00 C ATOM 1323 C ARG A 88 -0.391 6.541 4.505 1.00 0.00 C ATOM 1324 O ARG A 88 -0.852 6.230 5.599 1.00 0.00 O ATOM 1325 CB ARG A 88 -2.198 5.312 3.198 1.00 0.00 C ATOM 1326 CG ARG A 88 -2.996 6.595 2.943 1.00 0.00 C ATOM 1327 CD ARG A 88 -4.413 6.292 2.469 1.00 0.00 C ATOM 1328 NE ARG A 88 -5.290 5.751 3.534 1.00 0.00 N ATOM 1329 CZ ARG A 88 -5.886 6.436 4.524 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -5.731 7.748 4.650 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -6.640 5.798 5.413 1.00 0.00 N ATOM 0 H ARG A 88 -0.401 3.680 3.823 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.502 6.210 2.372 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.360 4.598 2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.534 4.833 4.118 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.037 7.186 3.858 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.483 7.200 2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.858 7.205 2.072 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.368 5.576 1.648 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.460 4.746 3.513 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.149 8.259 3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.194 8.246 5.410 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.766 4.788 5.344 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.093 6.318 6.165 1.00 0.00 H new ATOM 1345 N GLY A 89 0.423 7.580 4.329 1.00 0.00 N ATOM 1346 CA GLY A 89 0.943 8.438 5.386 1.00 0.00 C ATOM 1347 C GLY A 89 -0.119 8.834 6.411 1.00 0.00 C ATOM 1348 O GLY A 89 0.088 8.658 7.614 1.00 0.00 O ATOM 0 H GLY A 89 0.751 7.857 3.404 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.758 7.924 5.896 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.364 9.339 4.940 1.00 0.00 H new ATOM 1352 N LYS A 90 -1.282 9.312 5.952 1.00 0.00 N ATOM 1353 CA LYS A 90 -2.382 9.749 6.819 1.00 0.00 C ATOM 1354 C LYS A 90 -3.044 8.598 7.599 1.00 0.00 C ATOM 1355 O LYS A 90 -3.980 8.850 8.351 1.00 0.00 O ATOM 1356 CB LYS A 90 -3.418 10.557 6.004 1.00 0.00 C ATOM 1357 CG LYS A 90 -3.896 11.885 6.633 1.00 0.00 C ATOM 1358 CD LYS A 90 -4.648 11.802 7.977 1.00 0.00 C ATOM 1359 CE LYS A 90 -3.697 11.808 9.187 1.00 0.00 C ATOM 1360 NZ LYS A 90 -4.104 10.886 10.274 1.00 0.00 N ATOM 0 H LYS A 90 -1.488 9.407 4.957 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.947 10.398 7.579 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.989 10.776 5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.290 9.925 5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.025 12.524 6.773 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -4.545 12.384 5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.337 12.643 8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.250 10.894 7.997 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.696 11.539 8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.638 12.821 9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.400 10.919 11.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.032 11.175 10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -4.166 9.917 9.902 1.00 0.00 H new ATOM 1374 N LYS A 91 -2.613 7.347 7.449 1.00 0.00 N ATOM 1375 CA LYS A 91 -2.937 6.256 8.358 1.00 0.00 C ATOM 1376 C LYS A 91 -1.613 5.561 8.650 1.00 0.00 C ATOM 1377 O LYS A 91 -0.866 6.100 9.465 1.00 0.00 O ATOM 1378 CB LYS A 91 -4.080 5.396 7.786 1.00 0.00 C ATOM 1379 CG LYS A 91 -4.747 4.477 8.825 1.00 0.00 C ATOM 1380 CD LYS A 91 -5.839 5.176 9.655 1.00 0.00 C ATOM 1381 CE LYS A 91 -6.280 4.395 10.909 1.00 0.00 C ATOM 1382 NZ LYS A 91 -6.774 3.027 10.632 1.00 0.00 N ATOM 0 H LYS A 91 -2.015 7.060 6.674 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.353 6.572 9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.837 6.053 7.357 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.690 4.785 6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.185 3.620 8.312 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.983 4.089 9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.474 6.156 9.961 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.710 5.344 9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.438 4.332 11.598 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.065 4.957 11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.018 2.558 11.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.618 3.079 10.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.033 2.482 10.147 1.00 0.00 H new ATOM 1396 N LYS A 92 -1.278 4.425 8.028 1.00 0.00 N ATOM 1397 CA LYS A 92 -0.057 3.694 8.285 1.00 0.00 C ATOM 1398 C LYS A 92 0.269 2.812 7.066 1.00 0.00 C ATOM 1399 O LYS A 92 -0.260 3.034 5.970 1.00 0.00 O ATOM 1400 CB LYS A 92 -0.267 2.904 9.593 1.00 0.00 C ATOM 1401 CG LYS A 92 1.020 2.796 10.428 1.00 0.00 C ATOM 1402 CD LYS A 92 1.345 4.073 11.216 1.00 0.00 C ATOM 1403 CE LYS A 92 0.544 4.179 12.521 1.00 0.00 C ATOM 1404 NZ LYS A 92 1.068 3.269 13.566 1.00 0.00 N ATOM 0 H LYS A 92 -1.868 3.989 7.319 1.00 0.00 H new ATOM 0 HA LYS A 92 0.806 4.345 8.421 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.042 3.389 10.187 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.627 1.903 9.355 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.924 1.963 11.124 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.855 2.564 9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.410 4.093 11.445 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.136 4.943 10.594 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.576 5.206 12.884 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.502 3.943 12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.277 2.895 14.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.576 2.481 13.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.718 3.791 14.187 1.00 0.00 H new ATOM 1418 N TYR A 93 1.173 1.860 7.286 1.00 0.00 N ATOM 1419 CA TYR A 93 1.721 0.833 6.397 1.00 0.00 C ATOM 1420 C TYR A 93 0.907 -0.452 6.490 1.00 0.00 C ATOM 1421 O TYR A 93 1.284 -1.386 7.186 1.00 0.00 O ATOM 1422 CB TYR A 93 3.216 0.568 6.662 1.00 0.00 C ATOM 1423 CG TYR A 93 3.800 1.284 7.862 1.00 0.00 C ATOM 1424 CD1 TYR A 93 4.289 2.585 7.700 1.00 0.00 C ATOM 1425 CD2 TYR A 93 3.808 0.688 9.135 1.00 0.00 C ATOM 1426 CE1 TYR A 93 4.752 3.321 8.797 1.00 0.00 C ATOM 1427 CE2 TYR A 93 4.256 1.420 10.249 1.00 0.00 C ATOM 1428 CZ TYR A 93 4.716 2.746 10.084 1.00 0.00 C ATOM 1429 OH TYR A 93 5.108 3.494 11.149 1.00 0.00 O ATOM 0 H TYR A 93 1.594 1.779 8.212 1.00 0.00 H new ATOM 0 HA TYR A 93 1.646 1.214 5.378 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.360 -0.504 6.795 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.782 0.858 5.776 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.309 3.027 6.715 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.471 -0.331 9.257 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.134 4.322 8.659 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.249 0.969 11.230 1.00 0.00 H new ATOM 0 HH TYR A 93 5.027 2.963 11.969 1.00 0.00 H new ATOM 1439 N TYR A 94 -0.203 -0.532 5.774 1.00 0.00 N ATOM 1440 CA TYR A 94 -0.936 -1.771 5.706 1.00 0.00 C ATOM 1441 C TYR A 94 -0.215 -2.674 4.729 1.00 0.00 C ATOM 1442 O TYR A 94 0.647 -2.224 3.965 1.00 0.00 O ATOM 1443 CB TYR A 94 -2.326 -1.463 5.191 1.00 0.00 C ATOM 1444 CG TYR A 94 -3.140 -0.675 6.187 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -2.964 0.718 6.300 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -3.995 -1.361 7.066 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -3.584 1.414 7.345 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -4.636 -0.666 8.101 1.00 0.00 C ATOM 1449 CZ TYR A 94 -4.394 0.714 8.265 1.00 0.00 C ATOM 1450 OH TYR A 94 -4.865 1.354 9.362 1.00 0.00 O ATOM 0 H TYR A 94 -0.606 0.239 5.241 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.006 -2.255 6.680 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.251 -0.901 4.260 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.841 -2.395 4.960 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -2.353 1.247 5.583 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.158 -2.422 6.944 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.443 2.480 7.446 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.310 -1.183 8.768 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.407 0.735 9.894 1.00 0.00 H new ATOM 1460 N LEU A 95 -0.586 -3.944 4.742 1.00 0.00 N ATOM 1461 CA LEU A 95 0.157 -4.963 4.038 1.00 0.00 C ATOM 1462 C LEU A 95 -0.794 -5.794 3.184 1.00 0.00 C ATOM 1463 O LEU A 95 -1.910 -6.084 3.598 1.00 0.00 O ATOM 1464 CB LEU A 95 0.961 -5.761 5.070 1.00 0.00 C ATOM 1465 CG LEU A 95 1.740 -6.940 4.483 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.643 -6.455 3.353 1.00 0.00 C ATOM 1467 CD2 LEU A 95 2.615 -7.589 5.557 1.00 0.00 C ATOM 0 H LEU A 95 -1.406 -4.291 5.239 1.00 0.00 H new ATOM 0 HA LEU A 95 0.875 -4.541 3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.661 -5.089 5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.280 -6.135 5.835 1.00 0.00 H new ATOM 0 HG LEU A 95 1.022 -7.668 4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.194 -7.300 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.035 -6.001 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.346 -5.717 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.163 -8.426 5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.321 -6.854 5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.985 -7.950 6.370 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.376 -6.164 1.980 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.214 -6.788 0.967 1.00 0.00 C ATOM 1481 C ILE A 96 -0.426 -7.958 0.379 1.00 0.00 C ATOM 1482 O ILE A 96 0.708 -7.763 -0.064 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.546 -5.752 -0.139 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -1.979 -4.352 0.371 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.564 -6.325 -1.145 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -3.373 -4.282 0.997 1.00 0.00 C ATOM 0 H ILE A 96 0.588 -6.033 1.673 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.152 -7.142 1.396 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.599 -5.573 -0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.251 -4.012 1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.939 -3.652 -0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.779 -5.579 -1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.149 -7.217 -1.615 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.485 -6.585 -0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.576 -3.261 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.118 -4.585 0.261 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.420 -4.950 1.857 1.00 0.00 H new ATOM 1498 N ARG A 97 -0.999 -9.161 0.340 1.00 0.00 N ATOM 1499 CA ARG A 97 -0.517 -10.261 -0.474 1.00 0.00 C ATOM 1500 C ARG A 97 -1.651 -11.007 -1.185 1.00 0.00 C ATOM 1501 O ARG A 97 -2.840 -10.809 -0.925 1.00 0.00 O ATOM 1502 CB ARG A 97 0.318 -11.211 0.389 1.00 0.00 C ATOM 1503 CG ARG A 97 -0.281 -11.615 1.740 1.00 0.00 C ATOM 1504 CD ARG A 97 0.420 -12.872 2.273 1.00 0.00 C ATOM 1505 NE ARG A 97 -0.043 -13.168 3.635 1.00 0.00 N ATOM 1506 CZ ARG A 97 -0.904 -14.113 4.013 1.00 0.00 C ATOM 1507 NH1 ARG A 97 -1.258 -15.095 3.193 1.00 0.00 N ATOM 1508 NH2 ARG A 97 -1.414 -14.045 5.233 1.00 0.00 N ATOM 0 H ARG A 97 -1.827 -9.396 0.887 1.00 0.00 H new ATOM 0 HA ARG A 97 0.111 -9.845 -1.262 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.505 -12.118 -0.186 1.00 0.00 H new ATOM 0 HB3 ARG A 97 1.286 -10.744 0.571 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -0.172 -10.798 2.454 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.349 -11.803 1.631 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.213 -13.719 1.618 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.500 -12.724 2.272 1.00 0.00 H new ATOM 0 HE ARG A 97 0.339 -12.583 4.378 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.869 -15.138 2.251 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -1.919 -15.807 3.505 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.146 -13.283 5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.075 -14.754 5.550 1.00 0.00 H new ATOM 1522 N TYR A 98 -1.254 -11.920 -2.063 1.00 0.00 N ATOM 1523 CA TYR A 98 -2.093 -12.947 -2.627 1.00 0.00 C ATOM 1524 C TYR A 98 -1.905 -14.271 -1.883 1.00 0.00 C ATOM 1525 O TYR A 98 -0.895 -14.500 -1.216 1.00 0.00 O ATOM 1526 CB TYR A 98 -1.811 -13.085 -4.132 1.00 0.00 C ATOM 1527 CG TYR A 98 -0.389 -12.822 -4.618 1.00 0.00 C ATOM 1528 CD1 TYR A 98 0.727 -13.430 -4.006 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -0.188 -11.988 -5.732 1.00 0.00 C ATOM 1530 CE1 TYR A 98 2.024 -13.232 -4.511 1.00 0.00 C ATOM 1531 CE2 TYR A 98 1.104 -11.793 -6.250 1.00 0.00 C ATOM 1532 CZ TYR A 98 2.217 -12.429 -5.655 1.00 0.00 C ATOM 1533 OH TYR A 98 3.458 -12.284 -6.199 1.00 0.00 O ATOM 0 H TYR A 98 -0.296 -11.959 -2.410 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.138 -12.662 -2.508 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.086 -14.096 -4.433 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.477 -12.403 -4.661 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.583 -14.056 -3.138 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.031 -11.494 -6.192 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.871 -13.693 -4.024 1.00 0.00 H new ATOM 0 HE2 TYR A 98 1.247 -11.153 -7.108 1.00 0.00 H new ATOM 0 HH TYR A 98 3.415 -12.457 -7.163 1.00 0.00 H new ATOM 1543 N ALA A 99 -2.883 -15.154 -2.052 1.00 0.00 N ATOM 1544 CA ALA A 99 -2.902 -16.563 -1.746 1.00 0.00 C ATOM 1545 C ALA A 99 -3.868 -17.204 -2.734 1.00 0.00 C ATOM 1546 O ALA A 99 -5.011 -17.508 -2.386 1.00 0.00 O ATOM 1547 CB ALA A 99 -3.359 -16.798 -0.310 1.00 0.00 C ATOM 0 H ALA A 99 -3.774 -14.858 -2.450 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.906 -16.998 -1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.366 -17.868 -0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.675 -16.298 0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.363 -16.396 -0.177 1.00 0.00 H new TER 1553 ALA A 99