USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 835 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 51 HIS : no HE2:sc= -2.33! C(o=-4.3!,f=-12!) USER MOD Set 1.2: A 56 HIS : no HE2:sc= -1.96! X(o=-4.3!,f=-4.4) USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0346 X(o=-0.035,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -158:sc= -0.599 (180deg=-1.98) USER MOD Single : A 26 LYS NZ :NH3+ 137:sc= 0.0795 (180deg=0) USER MOD Single : A 33 CYS SG : rot -13:sc= -1.22! USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0.0026) USER MOD Single : A 41 ASN : amide:sc= -0.0801 K(o=-0.08,f=-2!) USER MOD Single : A 43 GLN : amide:sc=-0.00987 K(o=-0.0099,f=-1.8!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.62 K(o=-1.6,f=-3.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0223 K(o=-0.022,f=-1.7!) USER MOD Single : A 58 GLN : amide:sc= -1.5 X(o=-1.5,f=-2!) USER MOD Single : A 64 ASN : amide:sc= -0.797! C(o=-0.8!,f=-14!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-4.1e-05) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -3.65! C(o=-6.5!,f=-3.7!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -5.76! C(o=-5.8!,f=-5.3!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0157 USER MOD Single : A 88 LYS NZ :NH3+ -128:sc= 1.2 (180deg=-0.513) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 108 HIS :FLIP no HD1:sc= -0.156 F(o=-0.78,f=-0.16) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN :FLIP amide:sc= -0.0832 F(o=-1.3,f=-0.083) USER MOD Single : A 121 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.047) USER MOD Single : A 123 GLN :FLIP amide:sc= -3.89! C(o=-7.5!,f=-3.9!) USER MOD Single : A 124 SER OG : rot -111:sc= 0.619 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -0.811 2.488 14.970 1.00 1.00 N ATOM 108 CA PRO A 9 0.206 3.424 14.397 1.00 1.00 C ATOM 109 C PRO A 9 -0.406 4.377 13.371 1.00 1.00 C ATOM 110 O PRO A 9 0.029 5.520 13.230 1.00 1.00 O ATOM 111 CB PRO A 9 1.240 2.484 13.743 1.00 1.00 C ATOM 112 CG PRO A 9 0.503 1.206 13.498 1.00 1.00 C ATOM 113 CD PRO A 9 -0.517 1.086 14.627 1.00 1.00 C ATOM 0 HA PRO A 9 0.642 4.074 15.155 1.00 1.00 H new ATOM 0 HB2 PRO A 9 1.622 2.904 12.812 1.00 1.00 H new ATOM 0 HB3 PRO A 9 2.098 2.326 14.397 1.00 1.00 H new ATOM 0 HG2 PRO A 9 0.010 1.220 12.526 1.00 1.00 H new ATOM 0 HG3 PRO A 9 1.185 0.356 13.497 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -1.413 0.555 14.305 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -0.111 0.540 15.479 1.00 1.00 H new ATOM 121 N LEU A 10 -1.418 3.896 12.660 1.00 1.00 N ATOM 122 CA LEU A 10 -2.085 4.708 11.651 1.00 1.00 C ATOM 123 C LEU A 10 -2.679 5.964 12.299 1.00 1.00 C ATOM 124 O LEU A 10 -3.149 5.904 13.435 1.00 1.00 O ATOM 125 CB LEU A 10 -3.206 3.894 10.991 1.00 1.00 C ATOM 126 CG LEU A 10 -2.628 2.615 10.357 1.00 1.00 C ATOM 127 CD1 LEU A 10 -3.742 1.581 10.179 1.00 1.00 C ATOM 128 CD2 LEU A 10 -2.018 2.930 8.985 1.00 1.00 C ATOM 0 H LEU A 10 -1.793 2.953 12.763 1.00 1.00 H new ATOM 0 HA LEU A 10 -1.357 5.004 10.896 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -3.961 3.633 11.732 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -3.702 4.495 10.229 1.00 1.00 H new ATOM 0 HG LEU A 10 -1.854 2.220 11.014 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -3.331 0.677 9.730 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -4.173 1.340 11.151 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -4.516 1.989 9.529 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -1.613 2.017 8.548 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -2.788 3.336 8.329 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -1.219 3.662 9.102 1.00 1.00 H new ATOM 140 N PRO A 11 -2.679 7.093 11.622 1.00 1.00 N ATOM 141 CA PRO A 11 -3.243 8.350 12.191 1.00 1.00 C ATOM 142 C PRO A 11 -4.768 8.304 12.270 1.00 1.00 C ATOM 143 O PRO A 11 -5.426 7.658 11.454 1.00 1.00 O ATOM 144 CB PRO A 11 -2.741 9.444 11.237 1.00 1.00 C ATOM 145 CG PRO A 11 -2.543 8.751 9.926 1.00 1.00 C ATOM 146 CD PRO A 11 -2.159 7.301 10.255 1.00 1.00 C ATOM 0 HA PRO A 11 -2.926 8.524 13.219 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -3.464 10.255 11.150 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -1.811 9.884 11.596 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -3.453 8.785 9.327 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -1.760 9.237 9.344 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -2.604 6.600 9.548 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -1.080 7.155 10.212 1.00 1.00 H new ATOM 154 N VAL A 12 -5.319 8.981 13.271 1.00 1.00 N ATOM 155 CA VAL A 12 -6.764 9.011 13.473 1.00 1.00 C ATOM 156 C VAL A 12 -7.466 9.718 12.317 1.00 1.00 C ATOM 157 O VAL A 12 -8.506 9.263 11.839 1.00 1.00 O ATOM 158 CB VAL A 12 -7.084 9.718 14.793 1.00 1.00 C ATOM 159 CG1 VAL A 12 -8.599 9.874 14.943 1.00 1.00 C ATOM 160 CG2 VAL A 12 -6.543 8.885 15.957 1.00 1.00 C ATOM 0 H VAL A 12 -4.787 9.517 13.956 1.00 1.00 H new ATOM 0 HA VAL A 12 -7.129 7.984 13.511 1.00 1.00 H new ATOM 0 HB VAL A 12 -6.618 10.703 14.797 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -8.822 10.378 15.884 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -8.988 10.465 14.114 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -9.068 8.890 14.938 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -6.769 9.385 16.899 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -7.011 7.900 15.948 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -5.463 8.775 15.855 1.00 1.00 H new ATOM 170 N GLY A 13 -6.900 10.837 11.880 1.00 1.00 N ATOM 171 CA GLY A 13 -7.489 11.604 10.788 1.00 1.00 C ATOM 172 C GLY A 13 -7.750 10.720 9.573 1.00 1.00 C ATOM 173 O GLY A 13 -8.747 10.893 8.874 1.00 1.00 O ATOM 0 H GLY A 13 -6.040 11.232 12.261 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -8.424 12.056 11.120 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -6.821 12.420 10.511 1.00 1.00 H new ATOM 177 N ALA A 14 -6.854 9.774 9.327 1.00 1.00 N ATOM 178 CA ALA A 14 -7.005 8.875 8.189 1.00 1.00 C ATOM 179 C ALA A 14 -8.230 7.982 8.362 1.00 1.00 C ATOM 180 O ALA A 14 -8.627 7.661 9.483 1.00 1.00 O ATOM 181 CB ALA A 14 -5.755 8.004 8.031 1.00 1.00 C ATOM 0 H ALA A 14 -6.022 9.609 9.894 1.00 1.00 H new ATOM 0 HA ALA A 14 -7.137 9.483 7.294 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -5.881 7.338 7.178 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -4.886 8.641 7.868 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -5.607 7.412 8.935 1.00 1.00 H new ATOM 187 N GLN A 15 -8.814 7.582 7.234 1.00 1.00 N ATOM 188 CA GLN A 15 -9.995 6.709 7.224 1.00 1.00 C ATOM 189 C GLN A 15 -9.652 5.404 6.513 1.00 1.00 C ATOM 190 O GLN A 15 -9.905 5.260 5.317 1.00 1.00 O ATOM 191 CB GLN A 15 -11.146 7.389 6.469 1.00 1.00 C ATOM 192 CG GLN A 15 -11.450 8.765 7.083 1.00 1.00 C ATOM 193 CD GLN A 15 -12.415 8.625 8.259 1.00 1.00 C ATOM 194 OE1 GLN A 15 -12.058 8.930 9.395 1.00 1.00 O ATOM 195 NE2 GLN A 15 -13.625 8.178 8.050 1.00 1.00 N ATOM 0 H GLN A 15 -8.488 7.849 6.305 1.00 1.00 H new ATOM 0 HA GLN A 15 -10.297 6.512 8.253 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -10.883 7.503 5.417 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -12.036 6.761 6.508 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -10.524 9.233 7.418 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -11.882 9.420 6.326 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -13.920 7.925 7.107 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -14.275 8.082 8.830 1.00 1.00 H new ATOM 204 N PRO A 16 -9.064 4.464 7.205 1.00 1.00 N ATOM 205 CA PRO A 16 -8.664 3.161 6.599 1.00 1.00 C ATOM 206 C PRO A 16 -9.818 2.479 5.871 1.00 1.00 C ATOM 207 O PRO A 16 -10.879 2.234 6.447 1.00 1.00 O ATOM 208 CB PRO A 16 -8.181 2.333 7.800 1.00 1.00 C ATOM 209 CG PRO A 16 -7.768 3.345 8.815 1.00 1.00 C ATOM 210 CD PRO A 16 -8.716 4.528 8.632 1.00 1.00 C ATOM 0 HA PRO A 16 -7.898 3.282 5.833 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -8.974 1.690 8.182 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -7.349 1.685 7.525 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -7.840 2.939 9.824 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -6.732 3.648 8.666 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -9.598 4.438 9.266 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -8.235 5.472 8.887 1.00 1.00 H new ATOM 218 N LEU A 17 -9.584 2.162 4.599 1.00 1.00 N ATOM 219 CA LEU A 17 -10.583 1.489 3.772 1.00 1.00 C ATOM 220 C LEU A 17 -10.252 0.011 3.674 1.00 1.00 C ATOM 221 O LEU A 17 -11.141 -0.835 3.575 1.00 1.00 O ATOM 222 CB LEU A 17 -10.579 2.076 2.361 1.00 1.00 C ATOM 223 CG LEU A 17 -10.800 3.587 2.414 1.00 1.00 C ATOM 224 CD1 LEU A 17 -10.754 4.149 0.988 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.163 3.897 3.053 1.00 1.00 C ATOM 0 H LEU A 17 -8.707 2.362 4.117 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.563 1.629 4.229 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.630 1.858 1.872 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.361 1.608 1.763 1.00 1.00 H new ATOM 0 HG LEU A 17 -10.018 4.049 3.017 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -10.911 5.227 1.017 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -9.782 3.935 0.544 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.537 3.684 0.388 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.312 4.976 3.087 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -12.955 3.440 2.460 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.190 3.495 4.066 1.00 1.00 H new ATOM 237 N ALA A 18 -8.957 -0.288 3.694 1.00 1.00 N ATOM 238 CA ALA A 18 -8.496 -1.670 3.598 1.00 1.00 C ATOM 239 C ALA A 18 -7.139 -1.823 4.272 1.00 1.00 C ATOM 240 O ALA A 18 -6.354 -0.877 4.324 1.00 1.00 O ATOM 241 CB ALA A 18 -8.391 -2.078 2.125 1.00 1.00 C ATOM 0 H ALA A 18 -8.211 0.403 3.775 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.214 -2.316 4.103 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.047 -3.110 2.057 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -9.369 -1.990 1.652 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -7.682 -1.425 1.616 1.00 1.00 H new ATOM 247 N THR A 19 -6.865 -3.020 4.787 1.00 1.00 N ATOM 248 CA THR A 19 -5.591 -3.286 5.457 1.00 1.00 C ATOM 249 C THR A 19 -5.153 -4.722 5.220 1.00 1.00 C ATOM 250 O THR A 19 -5.927 -5.659 5.417 1.00 1.00 O ATOM 251 CB THR A 19 -5.718 -3.021 6.961 1.00 1.00 C ATOM 252 OG1 THR A 19 -4.549 -3.486 7.621 1.00 1.00 O ATOM 253 CG2 THR A 19 -6.943 -3.749 7.517 1.00 1.00 C ATOM 0 H THR A 19 -7.502 -3.816 4.755 1.00 1.00 H new ATOM 0 HA THR A 19 -4.838 -2.617 5.040 1.00 1.00 H new ATOM 0 HB THR A 19 -5.833 -1.950 7.129 1.00 1.00 H new ATOM 0 HG1 THR A 19 -4.627 -3.316 8.583 1.00 1.00 H new ATOM 0 HG21 THR A 19 -7.027 -3.556 8.586 1.00 1.00 H new ATOM 0 HG22 THR A 19 -7.840 -3.390 7.012 1.00 1.00 H new ATOM 0 HG23 THR A 19 -6.837 -4.821 7.349 1.00 1.00 H new ATOM 261 N VAL A 20 -3.906 -4.893 4.779 1.00 1.00 N ATOM 262 CA VAL A 20 -3.376 -6.226 4.500 1.00 1.00 C ATOM 263 C VAL A 20 -1.919 -6.342 4.929 1.00 1.00 C ATOM 264 O VAL A 20 -1.235 -5.337 5.125 1.00 1.00 O ATOM 265 CB VAL A 20 -3.494 -6.512 3.000 1.00 1.00 C ATOM 266 CG1 VAL A 20 -4.977 -6.584 2.611 1.00 1.00 C ATOM 267 CG2 VAL A 20 -2.808 -5.388 2.202 1.00 1.00 C ATOM 0 H VAL A 20 -3.250 -4.131 4.609 1.00 1.00 H new ATOM 0 HA VAL A 20 -3.955 -6.954 5.068 1.00 1.00 H new ATOM 0 HB VAL A 20 -3.010 -7.462 2.773 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -5.064 -6.787 1.544 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -5.462 -7.382 3.173 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -5.460 -5.634 2.840 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -2.894 -5.595 1.135 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -3.289 -4.436 2.427 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -1.755 -5.336 2.478 1.00 1.00 H new ATOM 277 N GLU A 21 -1.441 -7.580 5.048 1.00 1.00 N ATOM 278 CA GLU A 21 -0.052 -7.832 5.425 1.00 1.00 C ATOM 279 C GLU A 21 0.748 -8.185 4.177 1.00 1.00 C ATOM 280 O GLU A 21 0.418 -9.136 3.469 1.00 1.00 O ATOM 281 CB GLU A 21 0.024 -8.987 6.425 1.00 1.00 C ATOM 282 CG GLU A 21 1.454 -9.114 6.960 1.00 1.00 C ATOM 283 CD GLU A 21 1.772 -7.936 7.872 1.00 1.00 C ATOM 284 OE1 GLU A 21 0.858 -7.192 8.185 1.00 1.00 O ATOM 285 OE2 GLU A 21 2.924 -7.798 8.252 1.00 1.00 O ATOM 0 H GLU A 21 -1.994 -8.422 4.889 1.00 1.00 H new ATOM 0 HA GLU A 21 0.361 -6.937 5.890 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -0.669 -8.814 7.249 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -0.279 -9.917 5.944 1.00 1.00 H new ATOM 0 HG2 GLU A 21 1.565 -10.050 7.508 1.00 1.00 H new ATOM 0 HG3 GLU A 21 2.161 -9.144 6.131 1.00 1.00 H new ATOM 292 N GLY A 22 1.800 -7.415 3.909 1.00 1.00 N ATOM 293 CA GLY A 22 2.645 -7.653 2.737 1.00 1.00 C ATOM 294 C GLY A 22 4.116 -7.651 3.126 1.00 1.00 C ATOM 295 O GLY A 22 4.510 -7.007 4.091 1.00 1.00 O ATOM 0 H GLY A 22 2.089 -6.623 4.484 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.385 -8.609 2.283 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.461 -6.884 1.987 1.00 1.00 H new ATOM 299 N MET A 23 4.925 -8.383 2.367 1.00 1.00 N ATOM 300 CA MET A 23 6.358 -8.466 2.645 1.00 1.00 C ATOM 301 C MET A 23 7.126 -7.520 1.732 1.00 1.00 C ATOM 302 O MET A 23 7.369 -7.824 0.564 1.00 1.00 O ATOM 303 CB MET A 23 6.837 -9.898 2.423 1.00 1.00 C ATOM 304 CG MET A 23 5.917 -10.861 3.176 1.00 1.00 C ATOM 305 SD MET A 23 5.945 -10.474 4.945 1.00 1.00 S ATOM 306 CE MET A 23 7.203 -11.680 5.427 1.00 1.00 C ATOM 0 H MET A 23 4.617 -8.925 1.559 1.00 1.00 H new ATOM 0 HA MET A 23 6.537 -8.178 3.681 1.00 1.00 H new ATOM 0 HB2 MET A 23 6.836 -10.133 1.359 1.00 1.00 H new ATOM 0 HB3 MET A 23 7.863 -10.009 2.773 1.00 1.00 H new ATOM 0 HG2 MET A 23 4.900 -10.782 2.793 1.00 1.00 H new ATOM 0 HG3 MET A 23 6.240 -11.889 3.014 1.00 1.00 H new ATOM 0 HE1 MET A 23 7.379 -11.612 6.500 1.00 1.00 H new ATOM 0 HE2 MET A 23 6.859 -12.684 5.178 1.00 1.00 H new ATOM 0 HE3 MET A 23 8.130 -11.472 4.893 1.00 1.00 H new ATOM 316 N GLU A 24 7.503 -6.369 2.275 1.00 1.00 N ATOM 317 CA GLU A 24 8.240 -5.375 1.508 1.00 1.00 C ATOM 318 C GLU A 24 9.579 -5.938 1.048 1.00 1.00 C ATOM 319 O GLU A 24 10.362 -6.440 1.853 1.00 1.00 O ATOM 320 CB GLU A 24 8.464 -4.128 2.367 1.00 1.00 C ATOM 321 CG GLU A 24 9.175 -3.053 1.545 1.00 1.00 C ATOM 322 CD GLU A 24 9.303 -1.776 2.368 1.00 1.00 C ATOM 323 OE1 GLU A 24 9.057 -1.837 3.561 1.00 1.00 O ATOM 324 OE2 GLU A 24 9.649 -0.755 1.795 1.00 1.00 O ATOM 0 H GLU A 24 7.311 -6.102 3.241 1.00 1.00 H new ATOM 0 HA GLU A 24 7.658 -5.108 0.626 1.00 1.00 H new ATOM 0 HB2 GLU A 24 7.509 -3.749 2.730 1.00 1.00 H new ATOM 0 HB3 GLU A 24 9.060 -4.382 3.244 1.00 1.00 H new ATOM 0 HG2 GLU A 24 10.162 -3.404 1.246 1.00 1.00 H new ATOM 0 HG3 GLU A 24 8.617 -2.853 0.630 1.00 1.00 H new ATOM 331 N MET A 25 9.836 -5.850 -0.258 1.00 1.00 N ATOM 332 CA MET A 25 11.089 -6.355 -0.827 1.00 1.00 C ATOM 333 C MET A 25 11.974 -5.198 -1.283 1.00 1.00 C ATOM 334 O MET A 25 11.502 -4.246 -1.903 1.00 1.00 O ATOM 335 CB MET A 25 10.799 -7.272 -2.028 1.00 1.00 C ATOM 336 CG MET A 25 9.585 -8.171 -1.742 1.00 1.00 C ATOM 337 SD MET A 25 8.069 -7.311 -2.233 1.00 1.00 S ATOM 338 CE MET A 25 8.097 -7.762 -3.990 1.00 1.00 C ATOM 0 H MET A 25 9.199 -5.437 -0.939 1.00 1.00 H new ATOM 0 HA MET A 25 11.608 -6.922 -0.054 1.00 1.00 H new ATOM 0 HB2 MET A 25 10.610 -6.669 -2.916 1.00 1.00 H new ATOM 0 HB3 MET A 25 11.672 -7.888 -2.241 1.00 1.00 H new ATOM 0 HG2 MET A 25 9.677 -9.109 -2.289 1.00 1.00 H new ATOM 0 HG3 MET A 25 9.546 -8.422 -0.682 1.00 1.00 H new ATOM 0 HE1 MET A 25 7.501 -7.048 -4.558 1.00 1.00 H new ATOM 0 HE2 MET A 25 9.125 -7.747 -4.353 1.00 1.00 H new ATOM 0 HE3 MET A 25 7.682 -8.762 -4.116 1.00 1.00 H new ATOM 348 N LYS A 26 13.268 -5.302 -0.986 1.00 1.00 N ATOM 349 CA LYS A 26 14.236 -4.277 -1.385 1.00 1.00 C ATOM 350 C LYS A 26 15.479 -4.943 -1.959 1.00 1.00 C ATOM 351 O LYS A 26 15.831 -6.057 -1.574 1.00 1.00 O ATOM 352 CB LYS A 26 14.634 -3.398 -0.195 1.00 1.00 C ATOM 353 CG LYS A 26 13.433 -2.577 0.267 1.00 1.00 C ATOM 354 CD LYS A 26 13.855 -1.675 1.426 1.00 1.00 C ATOM 355 CE LYS A 26 12.657 -0.851 1.892 1.00 1.00 C ATOM 356 NZ LYS A 26 13.068 0.036 3.016 1.00 1.00 N ATOM 0 H LYS A 26 13.672 -6.084 -0.471 1.00 1.00 H new ATOM 0 HA LYS A 26 13.769 -3.644 -2.140 1.00 1.00 H new ATOM 0 HB2 LYS A 26 14.997 -4.020 0.623 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.452 -2.735 -0.478 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.051 -1.975 -0.557 1.00 1.00 H new ATOM 0 HG3 LYS A 26 12.625 -3.238 0.581 1.00 1.00 H new ATOM 0 HD2 LYS A 26 14.238 -2.278 2.249 1.00 1.00 H new ATOM 0 HD3 LYS A 26 14.664 -1.015 1.112 1.00 1.00 H new ATOM 0 HE2 LYS A 26 12.270 -0.253 1.066 1.00 1.00 H new ATOM 0 HE3 LYS A 26 11.851 -1.511 2.212 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 12.656 0.981 2.881 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 12.730 -0.363 3.915 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 14.105 0.110 3.038 1.00 1.00 H new ATOM 370 N GLY A 27 16.131 -4.253 -2.885 1.00 1.00 N ATOM 371 CA GLY A 27 17.336 -4.769 -3.529 1.00 1.00 C ATOM 372 C GLY A 27 18.194 -5.614 -2.583 1.00 1.00 C ATOM 373 O GLY A 27 18.364 -6.814 -2.795 1.00 1.00 O ATOM 0 H GLY A 27 15.845 -3.329 -3.210 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.053 -5.371 -4.392 1.00 1.00 H new ATOM 0 HA3 GLY A 27 17.929 -3.935 -3.904 1.00 1.00 H new ATOM 377 N PRO A 28 18.757 -5.007 -1.567 1.00 1.00 N ATOM 378 CA PRO A 28 19.647 -5.714 -0.591 1.00 1.00 C ATOM 379 C PRO A 28 18.940 -6.846 0.175 1.00 1.00 C ATOM 380 O PRO A 28 19.563 -7.856 0.503 1.00 1.00 O ATOM 381 CB PRO A 28 20.121 -4.587 0.353 1.00 1.00 C ATOM 382 CG PRO A 28 19.104 -3.500 0.208 1.00 1.00 C ATOM 383 CD PRO A 28 18.604 -3.581 -1.233 1.00 1.00 C ATOM 0 HA PRO A 28 20.468 -6.226 -1.094 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.180 -4.936 1.384 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.115 -4.235 0.078 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.284 -3.636 0.914 1.00 1.00 H new ATOM 0 HG3 PRO A 28 19.544 -2.524 0.414 1.00 1.00 H new ATOM 0 HD2 PRO A 28 17.567 -3.258 -1.317 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.190 -2.947 -1.898 1.00 1.00 H new ATOM 391 N LEU A 29 17.647 -6.680 0.453 1.00 1.00 N ATOM 392 CA LEU A 29 16.888 -7.712 1.177 1.00 1.00 C ATOM 393 C LEU A 29 15.424 -7.304 1.319 1.00 1.00 C ATOM 394 O LEU A 29 15.000 -6.307 0.744 1.00 1.00 O ATOM 395 CB LEU A 29 17.492 -7.957 2.573 1.00 1.00 C ATOM 396 CG LEU A 29 17.889 -6.633 3.245 1.00 1.00 C ATOM 397 CD1 LEU A 29 16.645 -5.772 3.507 1.00 1.00 C ATOM 398 CD2 LEU A 29 18.581 -6.944 4.578 1.00 1.00 C ATOM 0 H LEU A 29 17.105 -5.855 0.194 1.00 1.00 H new ATOM 0 HA LEU A 29 16.946 -8.634 0.599 1.00 1.00 H new ATOM 0 HB2 LEU A 29 16.770 -8.483 3.198 1.00 1.00 H new ATOM 0 HB3 LEU A 29 18.367 -8.601 2.486 1.00 1.00 H new ATOM 0 HG LEU A 29 18.563 -6.084 2.587 1.00 1.00 H new ATOM 0 HD11 LEU A 29 16.943 -4.838 3.983 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.147 -5.555 2.562 1.00 1.00 H new ATOM 0 HD13 LEU A 29 15.961 -6.311 4.162 1.00 1.00 H new ATOM 0 HD21 LEU A 29 18.868 -6.012 5.065 1.00 1.00 H new ATOM 0 HD22 LEU A 29 17.897 -7.495 5.223 1.00 1.00 H new ATOM 0 HD23 LEU A 29 19.471 -7.546 4.394 1.00 1.00 H new ATOM 410 N ARG A 30 14.649 -8.077 2.091 1.00 1.00 N ATOM 411 CA ARG A 30 13.232 -7.774 2.302 1.00 1.00 C ATOM 412 C ARG A 30 12.933 -7.614 3.788 1.00 1.00 C ATOM 413 O ARG A 30 13.762 -7.932 4.640 1.00 1.00 O ATOM 414 CB ARG A 30 12.356 -8.882 1.719 1.00 1.00 C ATOM 415 CG ARG A 30 12.688 -10.221 2.379 1.00 1.00 C ATOM 416 CD ARG A 30 11.695 -11.267 1.892 1.00 1.00 C ATOM 417 NE ARG A 30 11.822 -11.455 0.450 1.00 1.00 N ATOM 418 CZ ARG A 30 10.978 -12.233 -0.222 1.00 1.00 C ATOM 419 NH1 ARG A 30 10.044 -12.889 0.412 1.00 1.00 N ATOM 420 NH2 ARG A 30 11.089 -12.348 -1.517 1.00 1.00 N ATOM 0 H ARG A 30 14.979 -8.911 2.576 1.00 1.00 H new ATOM 0 HA ARG A 30 13.007 -6.837 1.793 1.00 1.00 H new ATOM 0 HB2 ARG A 30 11.304 -8.643 1.874 1.00 1.00 H new ATOM 0 HB3 ARG A 30 12.512 -8.950 0.642 1.00 1.00 H new ATOM 0 HG2 ARG A 30 13.706 -10.522 2.131 1.00 1.00 H new ATOM 0 HG3 ARG A 30 12.638 -10.130 3.464 1.00 1.00 H new ATOM 0 HD2 ARG A 30 11.871 -12.212 2.406 1.00 1.00 H new ATOM 0 HD3 ARG A 30 10.679 -10.956 2.137 1.00 1.00 H new ATOM 0 HE ARG A 30 12.573 -10.981 -0.052 1.00 1.00 H new ATOM 0 HH11 ARG A 30 9.960 -12.806 1.425 1.00 1.00 H new ATOM 0 HH12 ARG A 30 9.398 -13.485 -0.106 1.00 1.00 H new ATOM 0 HH21 ARG A 30 11.822 -11.842 -2.013 1.00 1.00 H new ATOM 0 HH22 ARG A 30 10.442 -12.944 -2.033 1.00 1.00 H new ATOM 434 N GLU A 31 11.740 -7.115 4.086 1.00 1.00 N ATOM 435 CA GLU A 31 11.324 -6.904 5.467 1.00 1.00 C ATOM 436 C GLU A 31 9.795 -6.954 5.560 1.00 1.00 C ATOM 437 O GLU A 31 9.114 -6.443 4.672 1.00 1.00 O ATOM 438 CB GLU A 31 11.816 -5.537 5.948 1.00 1.00 C ATOM 439 CG GLU A 31 11.168 -4.441 5.094 1.00 1.00 C ATOM 440 CD GLU A 31 11.809 -3.089 5.388 1.00 1.00 C ATOM 441 OE1 GLU A 31 12.501 -2.988 6.386 1.00 1.00 O ATOM 442 OE2 GLU A 31 11.594 -2.174 4.611 1.00 1.00 O ATOM 0 H GLU A 31 11.043 -6.849 3.390 1.00 1.00 H new ATOM 0 HA GLU A 31 11.751 -7.687 6.093 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.562 -5.394 6.998 1.00 1.00 H new ATOM 0 HB3 GLU A 31 12.902 -5.480 5.872 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.280 -4.681 4.037 1.00 1.00 H new ATOM 0 HG3 GLU A 31 10.098 -4.396 5.299 1.00 1.00 H new ATOM 449 N PRO A 32 9.231 -7.541 6.593 1.00 1.00 N ATOM 450 CA PRO A 32 7.748 -7.614 6.727 1.00 1.00 C ATOM 451 C PRO A 32 7.136 -6.221 6.851 1.00 1.00 C ATOM 452 O PRO A 32 7.709 -5.335 7.483 1.00 1.00 O ATOM 453 CB PRO A 32 7.524 -8.463 7.992 1.00 1.00 C ATOM 454 CG PRO A 32 8.804 -8.362 8.765 1.00 1.00 C ATOM 455 CD PRO A 32 9.915 -8.183 7.730 1.00 1.00 C ATOM 0 HA PRO A 32 7.266 -8.054 5.854 1.00 1.00 H new ATOM 0 HB2 PRO A 32 6.682 -8.088 8.574 1.00 1.00 H new ATOM 0 HB3 PRO A 32 7.299 -9.498 7.737 1.00 1.00 H new ATOM 0 HG2 PRO A 32 8.776 -7.519 9.456 1.00 1.00 H new ATOM 0 HG3 PRO A 32 8.970 -9.258 9.363 1.00 1.00 H new ATOM 0 HD2 PRO A 32 10.724 -7.561 8.114 1.00 1.00 H new ATOM 0 HD3 PRO A 32 10.355 -9.139 7.445 1.00 1.00 H new ATOM 463 N CYS A 33 5.977 -6.034 6.229 1.00 1.00 N ATOM 464 CA CYS A 33 5.299 -4.741 6.261 1.00 1.00 C ATOM 465 C CYS A 33 3.790 -4.925 6.146 1.00 1.00 C ATOM 466 O CYS A 33 3.308 -6.014 5.843 1.00 1.00 O ATOM 467 CB CYS A 33 5.806 -3.870 5.105 1.00 1.00 C ATOM 468 SG CYS A 33 5.056 -4.415 3.550 1.00 1.00 S ATOM 0 H CYS A 33 5.489 -6.756 5.699 1.00 1.00 H new ATOM 0 HA CYS A 33 5.517 -4.252 7.211 1.00 1.00 H new ATOM 0 HB2 CYS A 33 5.560 -2.824 5.291 1.00 1.00 H new ATOM 0 HB3 CYS A 33 6.892 -3.935 5.038 1.00 1.00 H new ATOM 0 HG CYS A 33 4.484 -5.569 3.725 1.00 1.00 H new ATOM 474 N ALA A 34 3.047 -3.849 6.384 1.00 1.00 N ATOM 475 CA ALA A 34 1.588 -3.888 6.295 1.00 1.00 C ATOM 476 C ALA A 34 1.086 -2.691 5.496 1.00 1.00 C ATOM 477 O ALA A 34 1.304 -1.541 5.878 1.00 1.00 O ATOM 478 CB ALA A 34 0.972 -3.874 7.697 1.00 1.00 C ATOM 0 H ALA A 34 3.429 -2.939 6.640 1.00 1.00 H new ATOM 0 HA ALA A 34 1.290 -4.807 5.789 1.00 1.00 H new ATOM 0 HB1 ALA A 34 -0.115 -3.903 7.617 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.318 -4.744 8.255 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.273 -2.965 8.218 1.00 1.00 H new ATOM 484 N LEU A 35 0.419 -2.974 4.383 1.00 1.00 N ATOM 485 CA LEU A 35 -0.113 -1.923 3.518 1.00 1.00 C ATOM 486 C LEU A 35 -1.544 -1.595 3.917 1.00 1.00 C ATOM 487 O LEU A 35 -2.391 -2.484 4.005 1.00 1.00 O ATOM 488 CB LEU A 35 -0.077 -2.402 2.063 1.00 1.00 C ATOM 489 CG LEU A 35 1.374 -2.388 1.529 1.00 1.00 C ATOM 490 CD1 LEU A 35 1.533 -3.444 0.426 1.00 1.00 C ATOM 491 CD2 LEU A 35 1.708 -1.001 0.954 1.00 1.00 C ATOM 0 H LEU A 35 0.233 -3.922 4.057 1.00 1.00 H new ATOM 0 HA LEU A 35 0.496 -1.025 3.623 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -0.487 -3.410 1.994 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -0.705 -1.760 1.446 1.00 1.00 H new ATOM 0 HG LEU A 35 2.054 -2.613 2.351 1.00 1.00 H new ATOM 0 HD11 LEU A 35 2.557 -3.430 0.053 1.00 1.00 H new ATOM 0 HD12 LEU A 35 1.308 -4.430 0.832 1.00 1.00 H new ATOM 0 HD13 LEU A 35 0.847 -3.223 -0.391 1.00 1.00 H new ATOM 0 HD21 LEU A 35 2.732 -0.999 0.580 1.00 1.00 H new ATOM 0 HD22 LEU A 35 1.023 -0.771 0.138 1.00 1.00 H new ATOM 0 HD23 LEU A 35 1.606 -0.249 1.736 1.00 1.00 H new ATOM 503 N THR A 36 -1.809 -0.313 4.172 1.00 1.00 N ATOM 504 CA THR A 36 -3.149 0.122 4.574 1.00 1.00 C ATOM 505 C THR A 36 -3.615 1.311 3.750 1.00 1.00 C ATOM 506 O THR A 36 -2.996 2.374 3.762 1.00 1.00 O ATOM 507 CB THR A 36 -3.145 0.493 6.056 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.729 -0.629 6.821 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.553 0.910 6.484 1.00 1.00 C ATOM 0 H THR A 36 -1.121 0.437 4.108 1.00 1.00 H new ATOM 0 HA THR A 36 -3.840 -0.703 4.400 1.00 1.00 H new ATOM 0 HB THR A 36 -2.457 1.322 6.221 1.00 1.00 H new ATOM 0 HG1 THR A 36 -2.724 -0.393 7.772 1.00 1.00 H new ATOM 0 HG21 THR A 36 -4.549 1.174 7.541 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.872 1.771 5.896 1.00 1.00 H new ATOM 0 HG23 THR A 36 -5.243 0.083 6.320 1.00 1.00 H new ATOM 517 N LEU A 37 -4.735 1.126 3.057 1.00 1.00 N ATOM 518 CA LEU A 37 -5.316 2.185 2.240 1.00 1.00 C ATOM 519 C LEU A 37 -6.293 2.987 3.087 1.00 1.00 C ATOM 520 O LEU A 37 -7.133 2.415 3.777 1.00 1.00 O ATOM 521 CB LEU A 37 -6.042 1.571 1.036 1.00 1.00 C ATOM 522 CG LEU A 37 -6.713 2.666 0.191 1.00 1.00 C ATOM 523 CD1 LEU A 37 -5.671 3.699 -0.268 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.384 2.023 -1.035 1.00 1.00 C ATOM 0 H LEU A 37 -5.259 0.251 3.045 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.528 2.844 1.875 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.333 1.014 0.423 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.792 0.860 1.381 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.464 3.174 0.796 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -6.160 4.468 -0.865 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -5.205 4.158 0.604 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -4.908 3.204 -0.869 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -7.861 2.797 -1.636 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -6.632 1.510 -1.634 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.135 1.306 -0.704 1.00 1.00 H new ATOM 536 N ALA A 38 -6.172 4.312 3.054 1.00 1.00 N ATOM 537 CA ALA A 38 -7.053 5.163 3.850 1.00 1.00 C ATOM 538 C ALA A 38 -7.359 6.472 3.131 1.00 1.00 C ATOM 539 O ALA A 38 -6.533 6.998 2.388 1.00 1.00 O ATOM 540 CB ALA A 38 -6.394 5.457 5.203 1.00 1.00 C ATOM 0 H ALA A 38 -5.483 4.814 2.494 1.00 1.00 H new ATOM 0 HA ALA A 38 -7.994 4.634 4.002 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -7.051 6.092 5.797 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -6.217 4.521 5.733 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -5.444 5.967 5.042 1.00 1.00 H new ATOM 546 N GLN A 39 -8.560 6.991 3.374 1.00 1.00 N ATOM 547 CA GLN A 39 -9.001 8.247 2.766 1.00 1.00 C ATOM 548 C GLN A 39 -8.883 9.382 3.782 1.00 1.00 C ATOM 549 O GLN A 39 -9.407 9.283 4.892 1.00 1.00 O ATOM 550 CB GLN A 39 -10.460 8.111 2.317 1.00 1.00 C ATOM 551 CG GLN A 39 -10.919 9.374 1.584 1.00 1.00 C ATOM 552 CD GLN A 39 -12.416 9.281 1.325 1.00 1.00 C ATOM 553 OE1 GLN A 39 -12.877 8.368 0.640 1.00 1.00 O ATOM 554 NE2 GLN A 39 -13.210 10.170 1.851 1.00 1.00 N ATOM 0 H GLN A 39 -9.249 6.560 3.990 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.373 8.471 1.904 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.565 7.246 1.662 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -11.098 7.935 3.183 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.695 10.258 2.181 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.380 9.480 0.643 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -12.825 10.925 2.418 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -14.216 10.111 1.696 1.00 1.00 H new ATOM 563 N ARG A 40 -8.198 10.461 3.402 1.00 1.00 N ATOM 564 CA ARG A 40 -8.026 11.605 4.300 1.00 1.00 C ATOM 565 C ARG A 40 -8.202 12.921 3.549 1.00 1.00 C ATOM 566 O ARG A 40 -7.717 13.079 2.429 1.00 1.00 O ATOM 567 CB ARG A 40 -6.638 11.553 4.946 1.00 1.00 C ATOM 568 CG ARG A 40 -6.582 12.535 6.118 1.00 1.00 C ATOM 569 CD ARG A 40 -5.243 12.391 6.843 1.00 1.00 C ATOM 570 NE ARG A 40 -4.149 12.834 5.988 1.00 1.00 N ATOM 571 CZ ARG A 40 -2.883 12.636 6.340 1.00 1.00 C ATOM 572 NH1 ARG A 40 -2.605 12.004 7.448 1.00 1.00 N ATOM 573 NH2 ARG A 40 -1.916 13.069 5.577 1.00 1.00 N ATOM 0 H ARG A 40 -7.757 10.568 2.488 1.00 1.00 H new ATOM 0 HA ARG A 40 -8.790 11.551 5.076 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -6.425 10.542 5.294 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -5.874 11.804 4.211 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -6.704 13.556 5.756 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -7.403 12.341 6.808 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -5.255 12.978 7.761 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -5.089 11.351 7.131 1.00 1.00 H new ATOM 0 HE ARG A 40 -4.358 13.303 5.107 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -3.359 11.662 8.043 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -1.633 11.852 7.718 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -2.132 13.560 4.709 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -0.945 12.916 5.849 1.00 1.00 H new ATOM 587 N ASN A 41 -8.900 13.860 4.185 1.00 1.00 N ATOM 588 CA ASN A 41 -9.150 15.175 3.594 1.00 1.00 C ATOM 589 C ASN A 41 -9.885 15.063 2.260 1.00 1.00 C ATOM 590 O ASN A 41 -9.652 15.854 1.348 1.00 1.00 O ATOM 591 CB ASN A 41 -7.830 15.926 3.391 1.00 1.00 C ATOM 592 CG ASN A 41 -7.266 16.362 4.740 1.00 1.00 C ATOM 593 OD1 ASN A 41 -7.986 16.378 5.738 1.00 1.00 O ATOM 594 ND2 ASN A 41 -6.016 16.725 4.827 1.00 1.00 N ATOM 0 H ASN A 41 -9.304 13.735 5.113 1.00 1.00 H new ATOM 0 HA ASN A 41 -9.784 15.729 4.286 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -7.113 15.286 2.877 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -7.991 16.797 2.756 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -5.633 17.023 5.724 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -5.422 16.711 3.998 1.00 1.00 H new ATOM 601 N GLY A 42 -10.781 14.085 2.151 1.00 1.00 N ATOM 602 CA GLY A 42 -11.544 13.903 0.918 1.00 1.00 C ATOM 603 C GLY A 42 -10.633 13.455 -0.220 1.00 1.00 C ATOM 604 O GLY A 42 -10.903 13.722 -1.391 1.00 1.00 O ATOM 0 H GLY A 42 -10.995 13.415 2.890 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.328 13.162 1.076 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.038 14.837 0.649 1.00 1.00 H new ATOM 608 N GLN A 43 -9.547 12.779 0.143 1.00 1.00 N ATOM 609 CA GLN A 43 -8.573 12.291 -0.829 1.00 1.00 C ATOM 610 C GLN A 43 -8.138 10.877 -0.465 1.00 1.00 C ATOM 611 O GLN A 43 -8.268 10.456 0.678 1.00 1.00 O ATOM 612 CB GLN A 43 -7.362 13.233 -0.829 1.00 1.00 C ATOM 613 CG GLN A 43 -6.213 12.626 -1.639 1.00 1.00 C ATOM 614 CD GLN A 43 -5.097 13.655 -1.802 1.00 1.00 C ATOM 615 OE1 GLN A 43 -5.332 14.852 -1.650 1.00 1.00 O ATOM 616 NE2 GLN A 43 -3.890 13.256 -2.098 1.00 1.00 N ATOM 0 H GLN A 43 -9.318 12.555 1.111 1.00 1.00 H new ATOM 0 HA GLN A 43 -9.021 12.269 -1.823 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -7.644 14.197 -1.252 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -7.036 13.417 0.195 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -5.831 11.738 -1.136 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -6.573 12.308 -2.617 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -3.698 12.262 -2.224 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -3.139 13.938 -2.204 1.00 1.00 H new ATOM 625 N TYR A 44 -7.612 10.146 -1.446 1.00 1.00 N ATOM 626 CA TYR A 44 -7.148 8.780 -1.214 1.00 1.00 C ATOM 627 C TYR A 44 -5.634 8.770 -1.030 1.00 1.00 C ATOM 628 O TYR A 44 -4.899 9.342 -1.833 1.00 1.00 O ATOM 629 CB TYR A 44 -7.520 7.895 -2.407 1.00 1.00 C ATOM 630 CG TYR A 44 -9.008 7.629 -2.403 1.00 1.00 C ATOM 631 CD1 TYR A 44 -9.894 8.601 -2.884 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.502 6.411 -1.919 1.00 1.00 C ATOM 633 CE1 TYR A 44 -11.271 8.354 -2.883 1.00 1.00 C ATOM 634 CE2 TYR A 44 -10.880 6.164 -1.919 1.00 1.00 C ATOM 635 CZ TYR A 44 -11.765 7.137 -2.399 1.00 1.00 C ATOM 636 OH TYR A 44 -13.123 6.895 -2.399 1.00 1.00 O ATOM 0 H TYR A 44 -7.497 10.475 -2.405 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.625 8.394 -0.313 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -7.231 8.383 -3.338 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -6.973 6.954 -2.358 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.514 9.541 -3.256 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -8.819 5.662 -1.546 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.954 9.103 -3.256 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.260 5.223 -1.549 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.296 6.003 -2.031 1.00 1.00 H new ATOM 646 N GLU A 45 -5.171 8.114 0.036 1.00 1.00 N ATOM 647 CA GLU A 45 -3.739 8.032 0.317 1.00 1.00 C ATOM 648 C GLU A 45 -3.383 6.648 0.847 1.00 1.00 C ATOM 649 O GLU A 45 -4.156 6.034 1.583 1.00 1.00 O ATOM 650 CB GLU A 45 -3.333 9.111 1.332 1.00 1.00 C ATOM 651 CG GLU A 45 -3.979 8.837 2.695 1.00 1.00 C ATOM 652 CD GLU A 45 -3.604 9.947 3.671 1.00 1.00 C ATOM 653 OE1 GLU A 45 -2.761 10.755 3.321 1.00 1.00 O ATOM 654 OE2 GLU A 45 -4.158 9.966 4.758 1.00 1.00 O ATOM 0 H GLU A 45 -5.764 7.635 0.714 1.00 1.00 H new ATOM 0 HA GLU A 45 -3.192 8.202 -0.610 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -2.248 9.132 1.435 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -3.638 10.093 0.969 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -5.063 8.781 2.591 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -3.646 7.873 3.079 1.00 1.00 H new ATOM 661 N LEU A 46 -2.206 6.164 0.462 1.00 1.00 N ATOM 662 CA LEU A 46 -1.735 4.847 0.889 1.00 1.00 C ATOM 663 C LEU A 46 -0.666 4.992 1.967 1.00 1.00 C ATOM 664 O LEU A 46 0.339 5.675 1.767 1.00 1.00 O ATOM 665 CB LEU A 46 -1.156 4.105 -0.324 1.00 1.00 C ATOM 666 CG LEU A 46 -0.595 2.733 0.087 1.00 1.00 C ATOM 667 CD1 LEU A 46 -1.684 1.892 0.768 1.00 1.00 C ATOM 668 CD2 LEU A 46 -0.098 2.006 -1.167 1.00 1.00 C ATOM 0 H LEU A 46 -1.558 6.664 -0.147 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.570 4.281 1.303 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -1.931 3.974 -1.079 1.00 1.00 H new ATOM 0 HB3 LEU A 46 -0.367 4.704 -0.778 1.00 1.00 H new ATOM 0 HG LEU A 46 0.226 2.876 0.790 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -1.271 0.924 1.053 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -2.041 2.410 1.658 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -2.514 1.743 0.077 1.00 1.00 H new ATOM 0 HD21 LEU A 46 0.302 1.031 -0.888 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -0.927 1.872 -1.863 1.00 1.00 H new ATOM 0 HD23 LEU A 46 0.684 2.596 -1.644 1.00 1.00 H new ATOM 680 N ILE A 47 -0.883 4.340 3.108 1.00 1.00 N ATOM 681 CA ILE A 47 0.073 4.397 4.216 1.00 1.00 C ATOM 682 C ILE A 47 0.874 3.106 4.273 1.00 1.00 C ATOM 683 O ILE A 47 0.305 2.019 4.358 1.00 1.00 O ATOM 684 CB ILE A 47 -0.664 4.573 5.543 1.00 1.00 C ATOM 685 CG1 ILE A 47 -1.527 5.836 5.492 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.358 4.701 6.678 1.00 1.00 C ATOM 687 CD1 ILE A 47 -2.478 5.849 6.693 1.00 1.00 C ATOM 0 H ILE A 47 -1.708 3.768 3.291 1.00 1.00 H new ATOM 0 HA ILE A 47 0.739 5.244 4.052 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.302 3.707 5.719 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -0.894 6.723 5.505 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -2.096 5.864 4.563 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -0.165 4.827 7.626 1.00 1.00 H new ATOM 0 HG22 ILE A 47 0.971 3.801 6.719 1.00 1.00 H new ATOM 0 HG23 ILE A 47 0.995 5.567 6.498 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -3.094 6.748 6.660 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -3.119 4.968 6.659 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -1.898 5.841 7.616 1.00 1.00 H new ATOM 699 N ILE A 48 2.196 3.227 4.231 1.00 1.00 N ATOM 700 CA ILE A 48 3.064 2.052 4.283 1.00 1.00 C ATOM 701 C ILE A 48 3.584 1.877 5.706 1.00 1.00 C ATOM 702 O ILE A 48 4.112 2.818 6.300 1.00 1.00 O ATOM 703 CB ILE A 48 4.243 2.232 3.326 1.00 1.00 C ATOM 704 CG1 ILE A 48 3.732 2.575 1.919 1.00 1.00 C ATOM 705 CG2 ILE A 48 5.043 0.929 3.258 1.00 1.00 C ATOM 706 CD1 ILE A 48 4.884 3.145 1.092 1.00 1.00 C ATOM 0 H ILE A 48 2.689 4.117 4.162 1.00 1.00 H new ATOM 0 HA ILE A 48 2.497 1.170 3.986 1.00 1.00 H new ATOM 0 HB ILE A 48 4.875 3.042 3.690 1.00 1.00 H new ATOM 0 HG12 ILE A 48 3.329 1.684 1.438 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.919 3.299 1.980 1.00 1.00 H new ATOM 0 HG21 ILE A 48 5.884 1.054 2.576 1.00 1.00 H new ATOM 0 HG22 ILE A 48 5.415 0.678 4.251 1.00 1.00 H new ATOM 0 HG23 ILE A 48 4.400 0.126 2.898 1.00 1.00 H new ATOM 0 HD11 ILE A 48 4.527 3.390 0.092 1.00 1.00 H new ATOM 0 HD12 ILE A 48 5.266 4.046 1.572 1.00 1.00 H new ATOM 0 HD13 ILE A 48 5.682 2.406 1.021 1.00 1.00 H new ATOM 718 N GLN A 49 3.421 0.674 6.257 1.00 1.00 N ATOM 719 CA GLN A 49 3.866 0.388 7.626 1.00 1.00 C ATOM 720 C GLN A 49 4.927 -0.707 7.633 1.00 1.00 C ATOM 721 O GLN A 49 4.670 -1.832 7.211 1.00 1.00 O ATOM 722 CB GLN A 49 2.673 -0.072 8.460 1.00 1.00 C ATOM 723 CG GLN A 49 1.597 1.013 8.457 1.00 1.00 C ATOM 724 CD GLN A 49 2.113 2.262 9.162 1.00 1.00 C ATOM 725 OE1 GLN A 49 2.703 3.135 8.526 1.00 1.00 O ATOM 726 NE2 GLN A 49 1.929 2.395 10.446 1.00 1.00 N ATOM 0 H GLN A 49 2.986 -0.117 5.781 1.00 1.00 H new ATOM 0 HA GLN A 49 4.295 1.297 8.047 1.00 1.00 H new ATOM 0 HB2 GLN A 49 2.269 -1.000 8.055 1.00 1.00 H new ATOM 0 HB3 GLN A 49 2.990 -0.281 9.482 1.00 1.00 H new ATOM 0 HG2 GLN A 49 1.315 1.254 7.432 1.00 1.00 H new ATOM 0 HG3 GLN A 49 0.700 0.648 8.957 1.00 1.00 H new ATOM 0 HE21 GLN A 49 1.439 1.669 10.969 1.00 1.00 H new ATOM 0 HE22 GLN A 49 2.275 3.225 10.927 1.00 1.00 H new ATOM 735 N LEU A 50 6.116 -0.375 8.132 1.00 1.00 N ATOM 736 CA LEU A 50 7.213 -1.345 8.209 1.00 1.00 C ATOM 737 C LEU A 50 7.324 -1.890 9.629 1.00 1.00 C ATOM 738 O LEU A 50 7.338 -1.128 10.596 1.00 1.00 O ATOM 739 CB LEU A 50 8.537 -0.670 7.809 1.00 1.00 C ATOM 740 CG LEU A 50 8.669 -0.623 6.284 1.00 1.00 C ATOM 741 CD1 LEU A 50 7.402 -0.024 5.669 1.00 1.00 C ATOM 742 CD2 LEU A 50 9.877 0.243 5.914 1.00 1.00 C ATOM 0 H LEU A 50 6.347 0.553 8.488 1.00 1.00 H new ATOM 0 HA LEU A 50 7.008 -2.168 7.524 1.00 1.00 H new ATOM 0 HB2 LEU A 50 8.575 0.341 8.216 1.00 1.00 H new ATOM 0 HB3 LEU A 50 9.376 -1.218 8.237 1.00 1.00 H new ATOM 0 HG LEU A 50 8.806 -1.634 5.899 1.00 1.00 H new ATOM 0 HD11 LEU A 50 7.503 0.006 4.584 1.00 1.00 H new ATOM 0 HD12 LEU A 50 6.542 -0.639 5.936 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.257 0.988 6.048 1.00 1.00 H new ATOM 0 HD21 LEU A 50 9.978 0.282 4.829 1.00 1.00 H new ATOM 0 HD22 LEU A 50 9.734 1.252 6.301 1.00 1.00 H new ATOM 0 HD23 LEU A 50 10.780 -0.187 6.348 1.00 1.00 H new ATOM 754 N HIS A 51 7.401 -3.212 9.751 1.00 1.00 N ATOM 755 CA HIS A 51 7.508 -3.848 11.062 1.00 1.00 C ATOM 756 C HIS A 51 8.970 -4.100 11.413 1.00 1.00 C ATOM 757 O HIS A 51 9.383 -5.242 11.619 1.00 1.00 O ATOM 758 CB HIS A 51 6.744 -5.173 11.062 1.00 1.00 C ATOM 759 CG HIS A 51 5.297 -4.914 10.745 1.00 1.00 C ATOM 760 ND1 HIS A 51 4.473 -4.185 11.587 1.00 1.00 N ATOM 761 CD2 HIS A 51 4.514 -5.282 9.679 1.00 1.00 C ATOM 762 CE1 HIS A 51 3.254 -4.136 11.019 1.00 1.00 C ATOM 763 NE2 HIS A 51 3.224 -4.788 9.854 1.00 1.00 N ATOM 0 H HIS A 51 7.391 -3.861 8.964 1.00 1.00 H new ATOM 0 HA HIS A 51 7.076 -3.181 11.808 1.00 1.00 H new ATOM 0 HB2 HIS A 51 7.173 -5.853 10.326 1.00 1.00 H new ATOM 0 HB3 HIS A 51 6.834 -5.658 12.034 1.00 1.00 H new ATOM 0 HD1 HIS A 51 4.741 -3.762 12.476 1.00 1.00 H new ATOM 0 HD2 HIS A 51 4.848 -5.866 8.834 1.00 1.00 H new ATOM 0 HE1 HIS A 51 2.404 -3.631 11.453 1.00 1.00 H new ATOM 771 N GLU A 52 9.748 -3.023 11.485 1.00 1.00 N ATOM 772 CA GLU A 52 11.163 -3.138 11.818 1.00 1.00 C ATOM 773 C GLU A 52 11.330 -3.789 13.185 1.00 1.00 C ATOM 774 O GLU A 52 10.414 -3.774 14.007 1.00 1.00 O ATOM 775 CB GLU A 52 11.825 -1.758 11.816 1.00 1.00 C ATOM 776 CG GLU A 52 11.879 -1.222 10.385 1.00 1.00 C ATOM 777 CD GLU A 52 12.472 0.182 10.370 1.00 1.00 C ATOM 778 OE1 GLU A 52 12.769 0.689 11.438 1.00 1.00 O ATOM 779 OE2 GLU A 52 12.616 0.730 9.290 1.00 1.00 O ATOM 0 H GLU A 52 9.426 -2.070 11.319 1.00 1.00 H new ATOM 0 HA GLU A 52 11.646 -3.761 11.065 1.00 1.00 H new ATOM 0 HB2 GLU A 52 11.264 -1.073 12.452 1.00 1.00 H new ATOM 0 HB3 GLU A 52 12.831 -1.825 12.229 1.00 1.00 H new ATOM 0 HG2 GLU A 52 12.480 -1.885 9.763 1.00 1.00 H new ATOM 0 HG3 GLU A 52 10.877 -1.206 9.957 1.00 1.00 H new ATOM 786 N LYS A 53 12.499 -4.366 13.417 1.00 1.00 N ATOM 787 CA LYS A 53 12.771 -5.027 14.686 1.00 1.00 C ATOM 788 C LYS A 53 12.672 -4.018 15.824 1.00 1.00 C ATOM 789 O LYS A 53 12.166 -4.334 16.902 1.00 1.00 O ATOM 790 CB LYS A 53 14.174 -5.646 14.668 1.00 1.00 C ATOM 791 CG LYS A 53 14.316 -6.640 13.502 1.00 1.00 C ATOM 792 CD LYS A 53 13.335 -7.809 13.657 1.00 1.00 C ATOM 793 CE LYS A 53 13.762 -8.960 12.742 1.00 1.00 C ATOM 794 NZ LYS A 53 12.792 -10.084 12.871 1.00 1.00 N ATOM 0 H LYS A 53 13.270 -4.391 12.749 1.00 1.00 H new ATOM 0 HA LYS A 53 12.035 -5.817 14.837 1.00 1.00 H new ATOM 0 HB2 LYS A 53 14.923 -4.859 14.575 1.00 1.00 H new ATOM 0 HB3 LYS A 53 14.364 -6.156 15.612 1.00 1.00 H new ATOM 0 HG2 LYS A 53 14.131 -6.128 12.558 1.00 1.00 H new ATOM 0 HG3 LYS A 53 15.337 -7.019 13.465 1.00 1.00 H new ATOM 0 HD2 LYS A 53 13.313 -8.144 14.694 1.00 1.00 H new ATOM 0 HD3 LYS A 53 12.325 -7.486 13.405 1.00 1.00 H new ATOM 0 HE2 LYS A 53 13.805 -8.619 11.707 1.00 1.00 H new ATOM 0 HE3 LYS A 53 14.764 -9.298 13.008 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 13.082 -10.866 12.250 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 12.773 -10.414 13.857 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 11.844 -9.757 12.597 1.00 1.00 H new ATOM 808 N GLU A 54 13.153 -2.803 15.579 1.00 1.00 N ATOM 809 CA GLU A 54 13.106 -1.753 16.593 1.00 1.00 C ATOM 810 C GLU A 54 11.707 -1.144 16.658 1.00 1.00 C ATOM 811 O GLU A 54 10.778 -1.749 17.197 1.00 1.00 O ATOM 812 CB GLU A 54 14.124 -0.654 16.275 1.00 1.00 C ATOM 813 CG GLU A 54 15.553 -1.214 16.354 1.00 1.00 C ATOM 814 CD GLU A 54 15.911 -1.939 15.059 1.00 1.00 C ATOM 815 OE1 GLU A 54 15.043 -2.064 14.214 1.00 1.00 O ATOM 816 OE2 GLU A 54 17.055 -2.346 14.929 1.00 1.00 O ATOM 0 H GLU A 54 13.577 -2.522 14.695 1.00 1.00 H new ATOM 0 HA GLU A 54 13.352 -2.199 17.557 1.00 1.00 H new ATOM 0 HB2 GLU A 54 13.938 -0.253 15.279 1.00 1.00 H new ATOM 0 HB3 GLU A 54 14.010 0.172 16.978 1.00 1.00 H new ATOM 0 HG2 GLU A 54 16.259 -0.403 16.532 1.00 1.00 H new ATOM 0 HG3 GLU A 54 15.636 -1.900 17.197 1.00 1.00 H new ATOM 823 N GLN A 55 11.564 0.063 16.106 1.00 1.00 N ATOM 824 CA GLN A 55 10.277 0.765 16.099 1.00 1.00 C ATOM 825 C GLN A 55 9.657 0.753 14.704 1.00 1.00 C ATOM 826 O GLN A 55 10.365 0.695 13.699 1.00 1.00 O ATOM 827 CB GLN A 55 10.475 2.215 16.550 1.00 1.00 C ATOM 828 CG GLN A 55 9.130 2.949 16.544 1.00 1.00 C ATOM 829 CD GLN A 55 9.289 4.332 17.165 1.00 1.00 C ATOM 830 OE1 GLN A 55 10.257 4.585 17.882 1.00 1.00 O ATOM 831 NE2 GLN A 55 8.390 5.248 16.930 1.00 1.00 N ATOM 0 H GLN A 55 12.323 0.575 15.658 1.00 1.00 H new ATOM 0 HA GLN A 55 9.605 0.251 16.786 1.00 1.00 H new ATOM 0 HB2 GLN A 55 10.908 2.238 17.550 1.00 1.00 H new ATOM 0 HB3 GLN A 55 11.178 2.719 15.887 1.00 1.00 H new ATOM 0 HG2 GLN A 55 8.760 3.040 15.523 1.00 1.00 H new ATOM 0 HG3 GLN A 55 8.390 2.374 17.101 1.00 1.00 H new ATOM 0 HE21 GLN A 55 7.589 5.036 16.335 1.00 1.00 H new ATOM 0 HE22 GLN A 55 8.488 6.176 17.341 1.00 1.00 H new ATOM 840 N HIS A 56 8.331 0.822 14.656 1.00 1.00 N ATOM 841 CA HIS A 56 7.619 0.830 13.384 1.00 1.00 C ATOM 842 C HIS A 56 7.792 2.178 12.691 1.00 1.00 C ATOM 843 O HIS A 56 7.870 3.216 13.349 1.00 1.00 O ATOM 844 CB HIS A 56 6.129 0.570 13.620 1.00 1.00 C ATOM 845 CG HIS A 56 5.931 -0.847 14.083 1.00 1.00 C ATOM 846 ND1 HIS A 56 6.324 -1.275 15.342 1.00 1.00 N ATOM 847 CD2 HIS A 56 5.375 -1.942 13.472 1.00 1.00 C ATOM 848 CE1 HIS A 56 6.002 -2.576 15.448 1.00 1.00 C ATOM 849 NE2 HIS A 56 5.420 -3.034 14.336 1.00 1.00 N ATOM 0 H HIS A 56 7.730 0.873 15.479 1.00 1.00 H new ATOM 0 HA HIS A 56 8.031 0.045 12.750 1.00 1.00 H new ATOM 0 HB2 HIS A 56 5.742 1.264 14.366 1.00 1.00 H new ATOM 0 HB3 HIS A 56 5.569 0.745 12.701 1.00 1.00 H new ATOM 0 HD1 HIS A 56 6.776 -0.706 16.058 1.00 1.00 H new ATOM 0 HD2 HIS A 56 4.965 -1.956 12.473 1.00 1.00 H new ATOM 0 HE1 HIS A 56 6.191 -3.177 16.325 1.00 1.00 H new ATOM 857 N VAL A 57 7.854 2.155 11.360 1.00 1.00 N ATOM 858 CA VAL A 57 8.018 3.386 10.579 1.00 1.00 C ATOM 859 C VAL A 57 6.726 3.722 9.844 1.00 1.00 C ATOM 860 O VAL A 57 6.134 2.870 9.181 1.00 1.00 O ATOM 861 CB VAL A 57 9.156 3.218 9.567 1.00 1.00 C ATOM 862 CG1 VAL A 57 9.644 4.593 9.102 1.00 1.00 C ATOM 863 CG2 VAL A 57 10.313 2.462 10.224 1.00 1.00 C ATOM 0 H VAL A 57 7.794 1.304 10.800 1.00 1.00 H new ATOM 0 HA VAL A 57 8.260 4.200 11.262 1.00 1.00 H new ATOM 0 HB VAL A 57 8.793 2.656 8.707 1.00 1.00 H new ATOM 0 HG11 VAL A 57 10.453 4.468 8.383 1.00 1.00 H new ATOM 0 HG12 VAL A 57 8.821 5.131 8.632 1.00 1.00 H new ATOM 0 HG13 VAL A 57 10.006 5.160 9.960 1.00 1.00 H new ATOM 0 HG21 VAL A 57 11.124 2.342 9.505 1.00 1.00 H new ATOM 0 HG22 VAL A 57 10.673 3.025 11.086 1.00 1.00 H new ATOM 0 HG23 VAL A 57 9.968 1.481 10.550 1.00 1.00 H new ATOM 873 N GLN A 58 6.297 4.972 9.974 1.00 1.00 N ATOM 874 CA GLN A 58 5.068 5.437 9.331 1.00 1.00 C ATOM 875 C GLN A 58 5.386 6.338 8.145 1.00 1.00 C ATOM 876 O GLN A 58 5.809 7.481 8.314 1.00 1.00 O ATOM 877 CB GLN A 58 4.223 6.211 10.347 1.00 1.00 C ATOM 878 CG GLN A 58 2.944 6.723 9.679 1.00 1.00 C ATOM 879 CD GLN A 58 2.027 7.347 10.725 1.00 1.00 C ATOM 880 OE1 GLN A 58 2.168 7.076 11.916 1.00 1.00 O ATOM 881 NE2 GLN A 58 1.092 8.174 10.348 1.00 1.00 N ATOM 0 H GLN A 58 6.781 5.685 10.519 1.00 1.00 H new ATOM 0 HA GLN A 58 4.515 4.570 8.970 1.00 1.00 H new ATOM 0 HB2 GLN A 58 3.971 5.567 11.189 1.00 1.00 H new ATOM 0 HB3 GLN A 58 4.795 7.048 10.746 1.00 1.00 H new ATOM 0 HG2 GLN A 58 3.192 7.459 8.915 1.00 1.00 H new ATOM 0 HG3 GLN A 58 2.432 5.902 9.177 1.00 1.00 H new ATOM 0 HE21 GLN A 58 0.977 8.397 9.359 1.00 1.00 H new ATOM 0 HE22 GLN A 58 0.476 8.598 11.042 1.00 1.00 H new ATOM 890 N ASP A 59 5.159 5.816 6.941 1.00 1.00 N ATOM 891 CA ASP A 59 5.398 6.571 5.711 1.00 1.00 C ATOM 892 C ASP A 59 4.085 6.768 4.969 1.00 1.00 C ATOM 893 O ASP A 59 3.482 5.808 4.488 1.00 1.00 O ATOM 894 CB ASP A 59 6.391 5.825 4.820 1.00 1.00 C ATOM 895 CG ASP A 59 6.893 6.744 3.711 1.00 1.00 C ATOM 896 OD1 ASP A 59 6.268 7.766 3.486 1.00 1.00 O ATOM 897 OD2 ASP A 59 7.896 6.408 3.101 1.00 1.00 O ATOM 0 H ASP A 59 4.809 4.870 6.790 1.00 1.00 H new ATOM 0 HA ASP A 59 5.817 7.544 5.967 1.00 1.00 H new ATOM 0 HB2 ASP A 59 7.231 5.470 5.417 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.914 4.946 4.387 1.00 1.00 H new ATOM 902 N ILE A 60 3.637 8.016 4.891 1.00 1.00 N ATOM 903 CA ILE A 60 2.380 8.328 4.215 1.00 1.00 C ATOM 904 C ILE A 60 2.642 8.747 2.775 1.00 1.00 C ATOM 905 O ILE A 60 3.274 9.771 2.518 1.00 1.00 O ATOM 906 CB ILE A 60 1.671 9.462 4.958 1.00 1.00 C ATOM 907 CG1 ILE A 60 1.386 9.023 6.396 1.00 1.00 C ATOM 908 CG2 ILE A 60 0.354 9.785 4.254 1.00 1.00 C ATOM 909 CD1 ILE A 60 0.895 10.221 7.213 1.00 1.00 C ATOM 0 H ILE A 60 4.120 8.824 5.284 1.00 1.00 H new ATOM 0 HA ILE A 60 1.750 7.439 4.212 1.00 1.00 H new ATOM 0 HB ILE A 60 2.306 10.348 4.965 1.00 1.00 H new ATOM 0 HG12 ILE A 60 0.635 8.233 6.403 1.00 1.00 H new ATOM 0 HG13 ILE A 60 2.288 8.609 6.846 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -0.152 10.593 4.782 1.00 1.00 H new ATOM 0 HG22 ILE A 60 0.556 10.093 3.228 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -0.282 8.900 4.249 1.00 1.00 H new ATOM 0 HD11 ILE A 60 0.693 9.905 8.236 1.00 1.00 H new ATOM 0 HD12 ILE A 60 1.661 10.997 7.217 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -0.019 10.615 6.768 1.00 1.00 H new ATOM 921 N ILE A 61 2.146 7.941 1.835 1.00 1.00 N ATOM 922 CA ILE A 61 2.322 8.218 0.408 1.00 1.00 C ATOM 923 C ILE A 61 0.961 8.524 -0.240 1.00 1.00 C ATOM 924 O ILE A 61 0.066 7.681 -0.200 1.00 1.00 O ATOM 925 CB ILE A 61 2.939 6.993 -0.277 1.00 1.00 C ATOM 926 CG1 ILE A 61 4.219 6.560 0.459 1.00 1.00 C ATOM 927 CG2 ILE A 61 3.278 7.330 -1.731 1.00 1.00 C ATOM 928 CD1 ILE A 61 5.178 7.746 0.624 1.00 1.00 C ATOM 0 H ILE A 61 1.619 7.091 2.036 1.00 1.00 H new ATOM 0 HA ILE A 61 2.980 9.079 0.292 1.00 1.00 H new ATOM 0 HB ILE A 61 2.218 6.176 -0.249 1.00 1.00 H new ATOM 0 HG12 ILE A 61 3.962 6.155 1.438 1.00 1.00 H new ATOM 0 HG13 ILE A 61 4.712 5.762 -0.097 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.716 6.457 -2.214 1.00 1.00 H new ATOM 0 HG22 ILE A 61 2.369 7.619 -2.259 1.00 1.00 H new ATOM 0 HG23 ILE A 61 3.990 8.155 -1.757 1.00 1.00 H new ATOM 0 HD11 ILE A 61 6.076 7.418 1.147 1.00 1.00 H new ATOM 0 HD12 ILE A 61 5.451 8.133 -0.358 1.00 1.00 H new ATOM 0 HD13 ILE A 61 4.689 8.531 1.201 1.00 1.00 H new ATOM 940 N PRO A 62 0.763 9.694 -0.824 1.00 1.00 N ATOM 941 CA PRO A 62 -0.543 10.047 -1.455 1.00 1.00 C ATOM 942 C PRO A 62 -0.752 9.347 -2.798 1.00 1.00 C ATOM 943 O PRO A 62 0.202 9.094 -3.535 1.00 1.00 O ATOM 944 CB PRO A 62 -0.466 11.571 -1.605 1.00 1.00 C ATOM 945 CG PRO A 62 0.990 11.863 -1.777 1.00 1.00 C ATOM 946 CD PRO A 62 1.741 10.798 -0.962 1.00 1.00 C ATOM 0 HA PRO A 62 -1.395 9.723 -0.857 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -1.043 11.914 -2.464 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -0.870 12.076 -0.728 1.00 1.00 H new ATOM 0 HG2 PRO A 62 1.274 11.820 -2.829 1.00 1.00 H new ATOM 0 HG3 PRO A 62 1.230 12.865 -1.423 1.00 1.00 H new ATOM 0 HD2 PRO A 62 2.645 10.468 -1.474 1.00 1.00 H new ATOM 0 HD3 PRO A 62 2.048 11.183 0.011 1.00 1.00 H new ATOM 954 N ILE A 63 -2.013 9.042 -3.107 1.00 1.00 N ATOM 955 CA ILE A 63 -2.358 8.374 -4.360 1.00 1.00 C ATOM 956 C ILE A 63 -2.702 9.406 -5.431 1.00 1.00 C ATOM 957 O ILE A 63 -3.601 10.226 -5.249 1.00 1.00 O ATOM 958 CB ILE A 63 -3.549 7.438 -4.129 1.00 1.00 C ATOM 959 CG1 ILE A 63 -3.118 6.320 -3.174 1.00 1.00 C ATOM 960 CG2 ILE A 63 -4.001 6.818 -5.454 1.00 1.00 C ATOM 961 CD1 ILE A 63 -4.346 5.546 -2.688 1.00 1.00 C ATOM 0 H ILE A 63 -2.811 9.247 -2.506 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.503 7.791 -4.702 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.376 8.006 -3.703 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.428 5.644 -3.680 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.584 6.743 -2.323 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -4.848 6.155 -5.275 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.298 7.609 -6.143 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -3.179 6.248 -5.888 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -4.031 4.753 -2.010 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -5.020 6.224 -2.165 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -4.862 5.109 -3.543 1.00 1.00 H new ATOM 973 N ASN A 64 -1.975 9.358 -6.543 1.00 1.00 N ATOM 974 CA ASN A 64 -2.201 10.293 -7.640 1.00 1.00 C ATOM 975 C ASN A 64 -1.333 9.924 -8.839 1.00 1.00 C ATOM 976 O ASN A 64 -0.876 8.790 -8.958 1.00 1.00 O ATOM 977 CB ASN A 64 -1.882 11.720 -7.189 1.00 1.00 C ATOM 978 CG ASN A 64 -0.419 11.822 -6.777 1.00 1.00 C ATOM 979 OD1 ASN A 64 0.381 10.944 -7.099 1.00 1.00 O ATOM 980 ND2 ASN A 64 -0.020 12.846 -6.074 1.00 1.00 N ATOM 0 H ASN A 64 -1.227 8.684 -6.708 1.00 1.00 H new ATOM 0 HA ASN A 64 -3.249 10.237 -7.933 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -2.090 12.421 -7.998 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -2.524 11.998 -6.353 1.00 1.00 H new ATOM 0 HD21 ASN A 64 0.957 12.920 -5.790 1.00 1.00 H new ATOM 0 HD22 ASN A 64 -0.685 13.572 -5.808 1.00 1.00 H new ATOM 987 N SER A 65 -1.113 10.883 -9.729 1.00 1.00 N ATOM 988 CA SER A 65 -0.301 10.634 -10.915 1.00 1.00 C ATOM 989 C SER A 65 1.115 10.206 -10.535 1.00 1.00 C ATOM 990 O SER A 65 1.688 9.310 -11.153 1.00 1.00 O ATOM 991 CB SER A 65 -0.243 11.893 -11.777 1.00 1.00 C ATOM 992 OG SER A 65 -1.557 12.228 -12.206 1.00 1.00 O ATOM 0 H SER A 65 -1.481 11.832 -9.655 1.00 1.00 H new ATOM 0 HA SER A 65 -0.764 9.824 -11.478 1.00 1.00 H new ATOM 0 HB2 SER A 65 0.188 12.717 -11.209 1.00 1.00 H new ATOM 0 HB3 SER A 65 0.403 11.728 -12.639 1.00 1.00 H new ATOM 0 HG SER A 65 -1.525 13.037 -12.758 1.00 1.00 H new ATOM 998 N HIS A 66 1.678 10.859 -9.522 1.00 1.00 N ATOM 999 CA HIS A 66 3.033 10.541 -9.077 1.00 1.00 C ATOM 1000 C HIS A 66 3.108 9.135 -8.483 1.00 1.00 C ATOM 1001 O HIS A 66 4.105 8.433 -8.655 1.00 1.00 O ATOM 1002 CB HIS A 66 3.495 11.559 -8.032 1.00 1.00 C ATOM 1003 CG HIS A 66 3.653 12.908 -8.680 1.00 1.00 C ATOM 1004 ND1 HIS A 66 4.712 13.204 -9.524 1.00 1.00 N ATOM 1005 CD2 HIS A 66 2.896 14.051 -8.614 1.00 1.00 C ATOM 1006 CE1 HIS A 66 4.565 14.478 -9.927 1.00 1.00 C ATOM 1007 NE2 HIS A 66 3.474 15.041 -9.401 1.00 1.00 N ATOM 0 H HIS A 66 1.222 11.605 -8.997 1.00 1.00 H new ATOM 0 HA HIS A 66 3.687 10.583 -9.948 1.00 1.00 H new ATOM 0 HB2 HIS A 66 2.770 11.617 -7.220 1.00 1.00 H new ATOM 0 HB3 HIS A 66 4.441 11.242 -7.593 1.00 1.00 H new ATOM 0 HD2 HIS A 66 1.989 14.164 -8.038 1.00 1.00 H new ATOM 0 HE1 HIS A 66 5.246 14.985 -10.595 1.00 1.00 H new ATOM 0 HE2 HIS A 66 3.137 15.993 -9.546 1.00 1.00 H new ATOM 1015 N PHE A 67 2.050 8.727 -7.781 1.00 1.00 N ATOM 1016 CA PHE A 67 2.003 7.403 -7.158 1.00 1.00 C ATOM 1017 C PHE A 67 1.154 6.458 -8.001 1.00 1.00 C ATOM 1018 O PHE A 67 -0.014 6.732 -8.270 1.00 1.00 O ATOM 1019 CB PHE A 67 1.409 7.518 -5.745 1.00 1.00 C ATOM 1020 CG PHE A 67 1.059 6.144 -5.207 1.00 1.00 C ATOM 1021 CD1 PHE A 67 -0.166 5.559 -5.547 1.00 1.00 C ATOM 1022 CD2 PHE A 67 1.957 5.455 -4.383 1.00 1.00 C ATOM 1023 CE1 PHE A 67 -0.499 4.290 -5.061 1.00 1.00 C ATOM 1024 CE2 PHE A 67 1.623 4.183 -3.896 1.00 1.00 C ATOM 1025 CZ PHE A 67 0.397 3.600 -4.238 1.00 1.00 C ATOM 0 H PHE A 67 1.215 9.293 -7.630 1.00 1.00 H new ATOM 0 HA PHE A 67 3.015 7.004 -7.092 1.00 1.00 H new ATOM 0 HB2 PHE A 67 2.124 8.004 -5.081 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.518 8.145 -5.768 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -0.856 6.089 -6.187 1.00 1.00 H new ATOM 0 HD2 PHE A 67 2.905 5.902 -4.123 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -1.447 3.843 -5.321 1.00 1.00 H new ATOM 0 HE2 PHE A 67 2.313 3.652 -3.256 1.00 1.00 H new ATOM 0 HZ PHE A 67 0.143 2.618 -3.867 1.00 1.00 H new ATOM 1035 N ARG A 68 1.744 5.339 -8.405 1.00 1.00 N ATOM 1036 CA ARG A 68 1.027 4.352 -9.210 1.00 1.00 C ATOM 1037 C ARG A 68 1.252 2.948 -8.678 1.00 1.00 C ATOM 1038 O ARG A 68 2.354 2.589 -8.267 1.00 1.00 O ATOM 1039 CB ARG A 68 1.488 4.422 -10.664 1.00 1.00 C ATOM 1040 CG ARG A 68 0.967 5.708 -11.302 1.00 1.00 C ATOM 1041 CD ARG A 68 1.396 5.754 -12.766 1.00 1.00 C ATOM 1042 NE ARG A 68 0.899 6.972 -13.396 1.00 1.00 N ATOM 1043 CZ ARG A 68 0.909 7.123 -14.716 1.00 1.00 C ATOM 1044 NH1 ARG A 68 1.412 6.191 -15.480 1.00 1.00 N ATOM 1045 NH2 ARG A 68 0.421 8.210 -15.247 1.00 1.00 N ATOM 0 H ARG A 68 2.710 5.092 -8.191 1.00 1.00 H new ATOM 0 HA ARG A 68 -0.037 4.582 -9.152 1.00 1.00 H new ATOM 0 HB2 ARG A 68 2.577 4.394 -10.713 1.00 1.00 H new ATOM 0 HB3 ARG A 68 1.122 3.556 -11.215 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -0.120 5.750 -11.228 1.00 1.00 H new ATOM 0 HG3 ARG A 68 1.357 6.576 -10.769 1.00 1.00 H new ATOM 0 HD2 ARG A 68 2.483 5.717 -12.836 1.00 1.00 H new ATOM 0 HD3 ARG A 68 1.013 4.880 -13.293 1.00 1.00 H new ATOM 0 HE ARG A 68 0.536 7.724 -12.811 1.00 1.00 H new ATOM 0 HH11 ARG A 68 1.799 5.344 -15.064 1.00 1.00 H new ATOM 0 HH12 ARG A 68 1.418 6.310 -16.493 1.00 1.00 H new ATOM 0 HH21 ARG A 68 0.034 8.940 -14.649 1.00 1.00 H new ATOM 0 HH22 ARG A 68 0.427 8.330 -16.260 1.00 1.00 H new ATOM 1059 N CYS A 69 0.189 2.153 -8.709 1.00 1.00 N ATOM 1060 CA CYS A 69 0.242 0.767 -8.250 1.00 1.00 C ATOM 1061 C CYS A 69 0.287 -0.160 -9.457 1.00 1.00 C ATOM 1062 O CYS A 69 -0.719 -0.348 -10.141 1.00 1.00 O ATOM 1063 CB CYS A 69 -0.994 0.455 -7.396 1.00 1.00 C ATOM 1064 SG CYS A 69 -1.180 -1.337 -7.204 1.00 1.00 S ATOM 0 H CYS A 69 -0.727 2.446 -9.049 1.00 1.00 H new ATOM 0 HA CYS A 69 1.136 0.617 -7.644 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -0.898 0.926 -6.418 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -1.885 0.873 -7.865 1.00 1.00 H new ATOM 0 HG CYS A 69 -2.228 -1.589 -6.478 1.00 1.00 H new ATOM 1070 N VAL A 70 1.460 -0.734 -9.722 1.00 1.00 N ATOM 1071 CA VAL A 70 1.625 -1.638 -10.866 1.00 1.00 C ATOM 1072 C VAL A 70 1.845 -3.062 -10.383 1.00 1.00 C ATOM 1073 O VAL A 70 2.731 -3.319 -9.572 1.00 1.00 O ATOM 1074 CB VAL A 70 2.821 -1.183 -11.711 1.00 1.00 C ATOM 1075 CG1 VAL A 70 2.690 0.314 -12.006 1.00 1.00 C ATOM 1076 CG2 VAL A 70 4.130 -1.446 -10.954 1.00 1.00 C ATOM 0 H VAL A 70 2.304 -0.593 -9.168 1.00 1.00 H new ATOM 0 HA VAL A 70 0.721 -1.611 -11.474 1.00 1.00 H new ATOM 0 HB VAL A 70 2.835 -1.743 -12.646 1.00 1.00 H new ATOM 0 HG11 VAL A 70 3.538 0.642 -12.607 1.00 1.00 H new ATOM 0 HG12 VAL A 70 1.765 0.497 -12.553 1.00 1.00 H new ATOM 0 HG13 VAL A 70 2.673 0.869 -11.068 1.00 1.00 H new ATOM 0 HG21 VAL A 70 4.974 -1.120 -11.562 1.00 1.00 H new ATOM 0 HG22 VAL A 70 4.124 -0.893 -10.015 1.00 1.00 H new ATOM 0 HG23 VAL A 70 4.223 -2.512 -10.747 1.00 1.00 H new ATOM 1086 N GLN A 71 1.027 -3.984 -10.886 1.00 1.00 N ATOM 1087 CA GLN A 71 1.123 -5.391 -10.501 1.00 1.00 C ATOM 1088 C GLN A 71 1.926 -6.174 -11.535 1.00 1.00 C ATOM 1089 O GLN A 71 1.682 -6.067 -12.738 1.00 1.00 O ATOM 1090 CB GLN A 71 -0.287 -5.978 -10.380 1.00 1.00 C ATOM 1091 CG GLN A 71 -0.216 -7.398 -9.818 1.00 1.00 C ATOM 1092 CD GLN A 71 -1.622 -7.907 -9.521 1.00 1.00 C ATOM 1093 OE1 GLN A 71 -1.956 -8.190 -8.291 1.00 1.00 O flip ATOM 1094 NE2 GLN A 71 -2.443 -8.036 -10.427 1.00 1.00 N flip ATOM 0 H GLN A 71 0.290 -3.782 -11.561 1.00 1.00 H new ATOM 0 HA GLN A 71 1.635 -5.465 -9.541 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -0.896 -5.351 -9.729 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -0.771 -5.988 -11.357 1.00 1.00 H new ATOM 0 HG2 GLN A 71 0.276 -8.058 -10.533 1.00 1.00 H new ATOM 0 HG3 GLN A 71 0.384 -7.409 -8.908 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -2.181 -7.815 -11.388 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -3.386 -8.364 -10.218 1.00 1.00 H new ATOM 1103 N GLU A 72 2.891 -6.954 -11.056 1.00 1.00 N ATOM 1104 CA GLU A 72 3.735 -7.746 -11.937 1.00 1.00 C ATOM 1105 C GLU A 72 4.480 -6.841 -12.914 1.00 1.00 C ATOM 1106 O GLU A 72 5.487 -6.227 -12.565 1.00 1.00 O ATOM 1107 CB GLU A 72 2.878 -8.776 -12.688 1.00 1.00 C ATOM 1108 CG GLU A 72 3.780 -9.712 -13.496 1.00 1.00 C ATOM 1109 CD GLU A 72 4.553 -10.630 -12.553 1.00 1.00 C ATOM 1110 OE1 GLU A 72 4.259 -10.614 -11.370 1.00 1.00 O ATOM 1111 OE2 GLU A 72 5.427 -11.334 -13.029 1.00 1.00 O ATOM 0 H GLU A 72 3.106 -7.053 -10.064 1.00 1.00 H new ATOM 0 HA GLU A 72 4.476 -8.278 -11.340 1.00 1.00 H new ATOM 0 HB2 GLU A 72 2.282 -9.352 -11.980 1.00 1.00 H new ATOM 0 HB3 GLU A 72 2.180 -8.267 -13.352 1.00 1.00 H new ATOM 0 HG2 GLU A 72 3.179 -10.306 -14.184 1.00 1.00 H new ATOM 0 HG3 GLU A 72 4.475 -9.129 -14.101 1.00 1.00 H new ATOM 1229 N ASP A 80 -5.094 -5.247 -12.424 1.00 1.00 N ATOM 1230 CA ASP A 80 -4.584 -5.917 -11.227 1.00 1.00 C ATOM 1231 C ASP A 80 -5.382 -7.188 -10.948 1.00 1.00 C ATOM 1232 O ASP A 80 -4.848 -8.174 -10.439 1.00 1.00 O ATOM 1233 CB ASP A 80 -4.689 -4.980 -10.024 1.00 1.00 C ATOM 1234 CG ASP A 80 -3.639 -3.876 -10.117 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -2.671 -4.065 -10.833 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -3.814 -2.862 -9.462 1.00 1.00 O ATOM 0 HA ASP A 80 -3.540 -6.182 -11.396 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -5.686 -4.540 -9.983 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -4.552 -5.545 -9.102 1.00 1.00 H new ATOM 1241 N ILE A 81 -6.666 -7.151 -11.286 1.00 1.00 N ATOM 1242 CA ILE A 81 -7.548 -8.292 -11.074 1.00 1.00 C ATOM 1243 C ILE A 81 -7.107 -9.477 -11.933 1.00 1.00 C ATOM 1244 O ILE A 81 -7.106 -10.620 -11.476 1.00 1.00 O ATOM 1245 CB ILE A 81 -8.987 -7.908 -11.426 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -9.388 -6.636 -10.657 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -9.935 -9.057 -11.073 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -9.200 -6.827 -9.146 1.00 1.00 C ATOM 0 H ILE A 81 -7.120 -6.341 -11.709 1.00 1.00 H new ATOM 0 HA ILE A 81 -7.496 -8.581 -10.024 1.00 1.00 H new ATOM 0 HB ILE A 81 -9.054 -7.713 -12.496 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -8.785 -5.794 -10.999 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -10.428 -6.390 -10.870 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -10.957 -8.776 -11.326 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -9.653 -9.947 -11.635 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -9.870 -9.267 -10.005 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -9.490 -5.915 -8.625 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -9.822 -7.654 -8.804 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -8.154 -7.049 -8.935 1.00 1.00 H new ATOM 1260 N ALA A 82 -6.746 -9.194 -13.179 1.00 1.00 N ATOM 1261 CA ALA A 82 -6.316 -10.240 -14.099 1.00 1.00 C ATOM 1262 C ALA A 82 -5.204 -11.082 -13.481 1.00 1.00 C ATOM 1263 O ALA A 82 -5.045 -12.255 -13.820 1.00 1.00 O ATOM 1264 CB ALA A 82 -5.814 -9.612 -15.401 1.00 1.00 C ATOM 0 H ALA A 82 -6.742 -8.254 -13.574 1.00 1.00 H new ATOM 0 HA ALA A 82 -7.170 -10.885 -14.307 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.494 -10.398 -16.085 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -6.617 -9.036 -15.861 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -4.973 -8.953 -15.186 1.00 1.00 H new ATOM 1270 N SER A 83 -4.441 -10.482 -12.568 1.00 1.00 N ATOM 1271 CA SER A 83 -3.345 -11.184 -11.897 1.00 1.00 C ATOM 1272 C SER A 83 -3.529 -11.130 -10.386 1.00 1.00 C ATOM 1273 O SER A 83 -3.552 -10.054 -9.787 1.00 1.00 O ATOM 1274 CB SER A 83 -2.008 -10.543 -12.277 1.00 1.00 C ATOM 1275 OG SER A 83 -1.006 -10.963 -11.359 1.00 1.00 O ATOM 0 H SER A 83 -4.561 -9.512 -12.275 1.00 1.00 H new ATOM 0 HA SER A 83 -3.350 -12.226 -12.216 1.00 1.00 H new ATOM 0 HB2 SER A 83 -1.730 -10.829 -13.292 1.00 1.00 H new ATOM 0 HB3 SER A 83 -2.096 -9.457 -12.265 1.00 1.00 H new ATOM 0 HG SER A 83 -0.149 -10.555 -11.601 1.00 1.00 H new ATOM 1281 N ASN A 84 -3.657 -12.305 -9.774 1.00 1.00 N ATOM 1282 CA ASN A 84 -3.837 -12.404 -8.328 1.00 1.00 C ATOM 1283 C ASN A 84 -3.165 -13.669 -7.809 1.00 1.00 C ATOM 1284 O ASN A 84 -2.380 -14.298 -8.517 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.328 -12.434 -7.987 1.00 1.00 C ATOM 1286 CG ASN A 84 -6.025 -11.209 -8.568 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -7.058 -11.338 -9.225 1.00 1.00 O ATOM 1288 ND2 ASN A 84 -5.525 -10.024 -8.359 1.00 1.00 N ATOM 0 H ASN A 84 -3.639 -13.203 -10.258 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.381 -11.535 -7.854 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -5.781 -13.342 -8.384 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -5.461 -12.458 -6.905 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -5.990 -9.200 -8.740 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -4.669 -9.921 -7.814 1.00 1.00 H new ATOM 1295 N SER A 85 -3.468 -14.032 -6.568 1.00 1.00 N ATOM 1296 CA SER A 85 -2.873 -15.221 -5.969 1.00 1.00 C ATOM 1297 C SER A 85 -1.366 -15.029 -5.836 1.00 1.00 C ATOM 1298 O SER A 85 -0.613 -15.298 -6.768 1.00 1.00 O ATOM 1299 CB SER A 85 -3.171 -16.448 -6.836 1.00 1.00 C ATOM 1300 OG SER A 85 -4.499 -16.358 -7.335 1.00 1.00 O ATOM 0 H SER A 85 -4.115 -13.527 -5.963 1.00 1.00 H new ATOM 0 HA SER A 85 -3.302 -15.377 -4.979 1.00 1.00 H new ATOM 0 HB2 SER A 85 -2.463 -16.505 -7.662 1.00 1.00 H new ATOM 0 HB3 SER A 85 -3.051 -17.359 -6.250 1.00 1.00 H new ATOM 0 HG SER A 85 -4.693 -17.141 -7.892 1.00 1.00 H new ATOM 1306 N GLY A 86 -0.938 -14.534 -4.678 1.00 1.00 N ATOM 1307 CA GLY A 86 0.480 -14.279 -4.457 1.00 1.00 C ATOM 1308 C GLY A 86 0.948 -13.218 -5.439 1.00 1.00 C ATOM 1309 O GLY A 86 1.710 -13.498 -6.364 1.00 1.00 O ATOM 0 H GLY A 86 -1.543 -14.305 -3.890 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.648 -13.945 -3.433 1.00 1.00 H new ATOM 0 HA3 GLY A 86 1.053 -15.196 -4.591 1.00 1.00 H new ATOM 1313 N CYS A 87 0.438 -12.002 -5.255 1.00 1.00 N ATOM 1314 CA CYS A 87 0.750 -10.887 -6.155 1.00 1.00 C ATOM 1315 C CYS A 87 1.758 -9.924 -5.529 1.00 1.00 C ATOM 1316 O CYS A 87 1.775 -9.718 -4.315 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.557 -10.111 -6.498 1.00 1.00 C ATOM 1318 SG CYS A 87 -1.976 -10.868 -5.656 1.00 1.00 S ATOM 0 H CYS A 87 -0.194 -11.761 -4.491 1.00 1.00 H new ATOM 0 HA CYS A 87 1.192 -11.302 -7.061 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.459 -9.068 -6.195 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -0.719 -10.116 -7.576 1.00 1.00 H new ATOM 1323 N LYS A 88 2.567 -9.307 -6.388 1.00 1.00 N ATOM 1324 CA LYS A 88 3.555 -8.324 -5.959 1.00 1.00 C ATOM 1325 C LYS A 88 3.419 -7.070 -6.808 1.00 1.00 C ATOM 1326 O LYS A 88 3.267 -7.148 -8.029 1.00 1.00 O ATOM 1327 CB LYS A 88 4.970 -8.894 -6.079 1.00 1.00 C ATOM 1328 CG LYS A 88 5.254 -9.304 -7.524 1.00 1.00 C ATOM 1329 CD LYS A 88 6.639 -9.945 -7.593 1.00 1.00 C ATOM 1330 CE LYS A 88 6.960 -10.331 -9.036 1.00 1.00 C ATOM 1331 NZ LYS A 88 6.061 -11.441 -9.460 1.00 1.00 N ATOM 0 H LYS A 88 2.555 -9.474 -7.394 1.00 1.00 H new ATOM 0 HA LYS A 88 3.378 -8.075 -4.913 1.00 1.00 H new ATOM 0 HB2 LYS A 88 5.698 -8.150 -5.755 1.00 1.00 H new ATOM 0 HB3 LYS A 88 5.080 -9.756 -5.421 1.00 1.00 H new ATOM 0 HG2 LYS A 88 4.496 -10.005 -7.873 1.00 1.00 H new ATOM 0 HG3 LYS A 88 5.208 -8.434 -8.179 1.00 1.00 H new ATOM 0 HD2 LYS A 88 7.390 -9.250 -7.217 1.00 1.00 H new ATOM 0 HD3 LYS A 88 6.673 -10.828 -6.955 1.00 1.00 H new ATOM 0 HE2 LYS A 88 6.829 -9.471 -9.692 1.00 1.00 H new ATOM 0 HE3 LYS A 88 8.002 -10.640 -9.119 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 6.630 -12.219 -9.850 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 5.522 -11.784 -8.639 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 5.403 -11.096 -10.187 1.00 1.00 H new ATOM 1345 N ILE A 89 3.463 -5.911 -6.150 1.00 1.00 N ATOM 1346 CA ILE A 89 3.333 -4.632 -6.847 1.00 1.00 C ATOM 1347 C ILE A 89 4.573 -3.782 -6.625 1.00 1.00 C ATOM 1348 O ILE A 89 5.348 -4.029 -5.701 1.00 1.00 O ATOM 1349 CB ILE A 89 2.093 -3.866 -6.348 1.00 1.00 C ATOM 1350 CG1 ILE A 89 2.218 -3.542 -4.850 1.00 1.00 C ATOM 1351 CG2 ILE A 89 0.839 -4.722 -6.572 1.00 1.00 C ATOM 1352 CD1 ILE A 89 1.126 -2.544 -4.456 1.00 1.00 C ATOM 0 H ILE A 89 3.587 -5.832 -5.141 1.00 1.00 H new ATOM 0 HA ILE A 89 3.221 -4.837 -7.912 1.00 1.00 H new ATOM 0 HB ILE A 89 2.017 -2.933 -6.906 1.00 1.00 H new ATOM 0 HG12 ILE A 89 2.124 -4.454 -4.260 1.00 1.00 H new ATOM 0 HG13 ILE A 89 3.202 -3.125 -4.637 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -0.039 -4.181 -6.219 1.00 1.00 H new ATOM 0 HG22 ILE A 89 0.730 -4.936 -7.635 1.00 1.00 H new ATOM 0 HG23 ILE A 89 0.934 -5.658 -6.021 1.00 1.00 H new ATOM 0 HD11 ILE A 89 1.211 -2.312 -3.394 1.00 1.00 H new ATOM 0 HD12 ILE A 89 1.242 -1.630 -5.038 1.00 1.00 H new ATOM 0 HD13 ILE A 89 0.147 -2.979 -4.655 1.00 1.00 H new ATOM 1364 N ARG A 90 4.746 -2.766 -7.468 1.00 1.00 N ATOM 1365 CA ARG A 90 5.886 -1.859 -7.352 1.00 1.00 C ATOM 1366 C ARG A 90 5.389 -0.425 -7.228 1.00 1.00 C ATOM 1367 O ARG A 90 4.458 -0.016 -7.922 1.00 1.00 O ATOM 1368 CB ARG A 90 6.799 -1.982 -8.580 1.00 1.00 C ATOM 1369 CG ARG A 90 7.239 -3.454 -8.782 1.00 1.00 C ATOM 1370 CD ARG A 90 6.313 -4.153 -9.786 1.00 1.00 C ATOM 1371 NE ARG A 90 6.664 -5.569 -9.911 1.00 1.00 N ATOM 1372 CZ ARG A 90 7.597 -5.974 -10.770 1.00 1.00 C ATOM 1373 NH1 ARG A 90 8.255 -5.098 -11.477 1.00 1.00 N ATOM 1374 NH2 ARG A 90 7.858 -7.248 -10.901 1.00 1.00 N ATOM 0 H ARG A 90 4.112 -2.550 -8.238 1.00 1.00 H new ATOM 0 HA ARG A 90 6.456 -2.128 -6.463 1.00 1.00 H new ATOM 0 HB2 ARG A 90 6.275 -1.628 -9.468 1.00 1.00 H new ATOM 0 HB3 ARG A 90 7.676 -1.348 -8.454 1.00 1.00 H new ATOM 0 HG2 ARG A 90 8.268 -3.487 -9.141 1.00 1.00 H new ATOM 0 HG3 ARG A 90 7.217 -3.981 -7.828 1.00 1.00 H new ATOM 0 HD2 ARG A 90 5.277 -4.057 -9.461 1.00 1.00 H new ATOM 0 HD3 ARG A 90 6.389 -3.667 -10.759 1.00 1.00 H new ATOM 0 HE ARG A 90 6.185 -6.257 -9.330 1.00 1.00 H new ATOM 0 HH11 ARG A 90 8.055 -4.103 -11.372 1.00 1.00 H new ATOM 0 HH12 ARG A 90 8.970 -5.407 -12.135 1.00 1.00 H new ATOM 0 HH21 ARG A 90 7.347 -7.933 -10.345 1.00 1.00 H new ATOM 0 HH22 ARG A 90 8.573 -7.557 -11.559 1.00 1.00 H new ATOM 1388 N VAL A 91 6.012 0.331 -6.328 1.00 1.00 N ATOM 1389 CA VAL A 91 5.630 1.723 -6.095 1.00 1.00 C ATOM 1390 C VAL A 91 6.788 2.646 -6.453 1.00 1.00 C ATOM 1391 O VAL A 91 7.932 2.403 -6.071 1.00 1.00 O ATOM 1392 CB VAL A 91 5.263 1.912 -4.618 1.00 1.00 C ATOM 1393 CG1 VAL A 91 5.085 3.401 -4.300 1.00 1.00 C ATOM 1394 CG2 VAL A 91 3.962 1.166 -4.315 1.00 1.00 C ATOM 0 H VAL A 91 6.784 0.004 -5.747 1.00 1.00 H new ATOM 0 HA VAL A 91 4.771 1.968 -6.720 1.00 1.00 H new ATOM 0 HB VAL A 91 6.068 1.513 -4.001 1.00 1.00 H new ATOM 0 HG11 VAL A 91 4.825 3.520 -3.248 1.00 1.00 H new ATOM 0 HG12 VAL A 91 6.015 3.931 -4.506 1.00 1.00 H new ATOM 0 HG13 VAL A 91 4.288 3.813 -4.920 1.00 1.00 H new ATOM 0 HG21 VAL A 91 3.701 1.301 -3.265 1.00 1.00 H new ATOM 0 HG22 VAL A 91 3.162 1.561 -4.941 1.00 1.00 H new ATOM 0 HG23 VAL A 91 4.095 0.104 -4.523 1.00 1.00 H new ATOM 1404 N GLN A 92 6.474 3.706 -7.186 1.00 1.00 N ATOM 1405 CA GLN A 92 7.479 4.681 -7.602 1.00 1.00 C ATOM 1406 C GLN A 92 6.906 6.091 -7.522 1.00 1.00 C ATOM 1407 O GLN A 92 5.697 6.287 -7.644 1.00 1.00 O ATOM 1408 CB GLN A 92 7.924 4.395 -9.037 1.00 1.00 C ATOM 1409 CG GLN A 92 8.712 3.084 -9.081 1.00 1.00 C ATOM 1410 CD GLN A 92 9.098 2.757 -10.520 1.00 1.00 C ATOM 1411 OE1 GLN A 92 8.855 3.557 -11.424 1.00 1.00 O ATOM 1412 NE2 GLN A 92 9.683 1.623 -10.788 1.00 1.00 N ATOM 0 H GLN A 92 5.529 3.915 -7.507 1.00 1.00 H new ATOM 0 HA GLN A 92 8.337 4.603 -6.935 1.00 1.00 H new ATOM 0 HB2 GLN A 92 7.055 4.330 -9.691 1.00 1.00 H new ATOM 0 HB3 GLN A 92 8.541 5.214 -9.407 1.00 1.00 H new ATOM 0 HG2 GLN A 92 9.608 3.167 -8.465 1.00 1.00 H new ATOM 0 HG3 GLN A 92 8.112 2.275 -8.664 1.00 1.00 H new ATOM 0 HE21 GLN A 92 9.883 0.962 -10.037 1.00 1.00 H new ATOM 0 HE22 GLN A 92 9.941 1.397 -11.749 1.00 1.00 H new ATOM 1421 N GLY A 93 7.782 7.065 -7.318 1.00 1.00 N ATOM 1422 CA GLY A 93 7.354 8.455 -7.227 1.00 1.00 C ATOM 1423 C GLY A 93 8.545 9.392 -7.377 1.00 1.00 C ATOM 1424 O GLY A 93 9.695 8.974 -7.248 1.00 1.00 O ATOM 0 H GLY A 93 8.786 6.921 -7.213 1.00 1.00 H new ATOM 0 HA2 GLY A 93 6.618 8.666 -8.003 1.00 1.00 H new ATOM 0 HA3 GLY A 93 6.866 8.629 -6.268 1.00 1.00 H new ATOM 1483 N ARG A 97 11.600 7.083 -3.519 1.00 1.00 N ATOM 1484 CA ARG A 97 12.336 6.100 -4.319 1.00 1.00 C ATOM 1485 C ARG A 97 11.477 4.871 -4.598 1.00 1.00 C ATOM 1486 O ARG A 97 10.450 4.660 -3.954 1.00 1.00 O ATOM 1487 CB ARG A 97 13.610 5.668 -3.593 1.00 1.00 C ATOM 1488 CG ARG A 97 14.583 6.846 -3.515 1.00 1.00 C ATOM 1489 CD ARG A 97 15.822 6.430 -2.721 1.00 1.00 C ATOM 1490 NE ARG A 97 16.523 5.351 -3.408 1.00 1.00 N ATOM 1491 CZ ARG A 97 17.594 4.775 -2.871 1.00 1.00 C ATOM 1492 NH1 ARG A 97 18.071 5.214 -1.738 1.00 1.00 N ATOM 1493 NH2 ARG A 97 18.173 3.778 -3.480 1.00 1.00 N ATOM 0 HA ARG A 97 12.598 6.572 -5.266 1.00 1.00 H new ATOM 0 HB2 ARG A 97 13.367 5.317 -2.590 1.00 1.00 H new ATOM 0 HB3 ARG A 97 14.075 4.834 -4.119 1.00 1.00 H new ATOM 0 HG2 ARG A 97 14.870 7.162 -4.518 1.00 1.00 H new ATOM 0 HG3 ARG A 97 14.101 7.699 -3.037 1.00 1.00 H new ATOM 0 HD2 ARG A 97 16.487 7.285 -2.597 1.00 1.00 H new ATOM 0 HD3 ARG A 97 15.531 6.106 -1.722 1.00 1.00 H new ATOM 0 HE ARG A 97 16.185 5.033 -4.316 1.00 1.00 H new ATOM 0 HH11 ARG A 97 17.622 5.998 -1.265 1.00 1.00 H new ATOM 0 HH12 ARG A 97 18.893 4.773 -1.325 1.00 1.00 H new ATOM 0 HH21 ARG A 97 17.804 3.440 -4.369 1.00 1.00 H new ATOM 0 HH22 ARG A 97 18.995 3.336 -3.068 1.00 1.00 H new ATOM 1507 N GLU A 98 11.908 4.064 -5.563 1.00 1.00 N ATOM 1508 CA GLU A 98 11.170 2.860 -5.919 1.00 1.00 C ATOM 1509 C GLU A 98 11.131 1.879 -4.750 1.00 1.00 C ATOM 1510 O GLU A 98 12.119 1.699 -4.038 1.00 1.00 O ATOM 1511 CB GLU A 98 11.807 2.190 -7.143 1.00 1.00 C ATOM 1512 CG GLU A 98 13.191 1.638 -6.784 1.00 1.00 C ATOM 1513 CD GLU A 98 13.865 1.079 -8.032 1.00 1.00 C ATOM 1514 OE1 GLU A 98 13.202 1.004 -9.055 1.00 1.00 O ATOM 1515 OE2 GLU A 98 15.032 0.737 -7.949 1.00 1.00 O ATOM 0 H GLU A 98 12.756 4.221 -6.107 1.00 1.00 H new ATOM 0 HA GLU A 98 10.147 3.148 -6.161 1.00 1.00 H new ATOM 0 HB2 GLU A 98 11.167 1.383 -7.499 1.00 1.00 H new ATOM 0 HB3 GLU A 98 11.894 2.910 -7.957 1.00 1.00 H new ATOM 0 HG2 GLU A 98 13.806 2.427 -6.350 1.00 1.00 H new ATOM 0 HG3 GLU A 98 13.096 0.857 -6.030 1.00 1.00 H new ATOM 1522 N ARG A 99 9.976 1.243 -4.572 1.00 1.00 N ATOM 1523 CA ARG A 99 9.782 0.265 -3.501 1.00 1.00 C ATOM 1524 C ARG A 99 8.937 -0.895 -4.028 1.00 1.00 C ATOM 1525 O ARG A 99 8.173 -0.725 -4.976 1.00 1.00 O ATOM 1526 CB ARG A 99 9.082 0.921 -2.304 1.00 1.00 C ATOM 1527 CG ARG A 99 9.957 2.051 -1.749 1.00 1.00 C ATOM 1528 CD ARG A 99 9.228 2.749 -0.600 1.00 1.00 C ATOM 1529 NE ARG A 99 9.086 1.841 0.530 1.00 1.00 N ATOM 1530 CZ ARG A 99 8.432 2.205 1.624 1.00 1.00 C ATOM 1531 NH1 ARG A 99 7.906 3.398 1.704 1.00 1.00 N ATOM 1532 NH2 ARG A 99 8.316 1.372 2.622 1.00 1.00 N ATOM 0 H ARG A 99 9.154 1.388 -5.159 1.00 1.00 H new ATOM 0 HA ARG A 99 10.752 -0.108 -3.173 1.00 1.00 H new ATOM 0 HB2 ARG A 99 8.112 1.315 -2.609 1.00 1.00 H new ATOM 0 HB3 ARG A 99 8.895 0.179 -1.528 1.00 1.00 H new ATOM 0 HG2 ARG A 99 10.908 1.649 -1.399 1.00 1.00 H new ATOM 0 HG3 ARG A 99 10.185 2.768 -2.537 1.00 1.00 H new ATOM 0 HD2 ARG A 99 9.781 3.637 -0.295 1.00 1.00 H new ATOM 0 HD3 ARG A 99 8.246 3.084 -0.933 1.00 1.00 H new ATOM 0 HE ARG A 99 9.497 0.909 0.479 1.00 1.00 H new ATOM 0 HH11 ARG A 99 7.999 4.049 0.925 1.00 1.00 H new ATOM 0 HH12 ARG A 99 7.403 3.678 2.546 1.00 1.00 H new ATOM 0 HH21 ARG A 99 8.729 0.441 2.560 1.00 1.00 H new ATOM 0 HH22 ARG A 99 7.813 1.652 3.464 1.00 1.00 H new ATOM 1546 N ARG A 100 9.087 -2.079 -3.427 1.00 1.00 N ATOM 1547 CA ARG A 100 8.338 -3.264 -3.870 1.00 1.00 C ATOM 1548 C ARG A 100 7.567 -3.897 -2.713 1.00 1.00 C ATOM 1549 O ARG A 100 7.936 -3.746 -1.547 1.00 1.00 O ATOM 1550 CB ARG A 100 9.310 -4.283 -4.462 1.00 1.00 C ATOM 1551 CG ARG A 100 9.888 -3.742 -5.773 1.00 1.00 C ATOM 1552 CD ARG A 100 10.909 -4.745 -6.306 1.00 1.00 C ATOM 1553 NE ARG A 100 11.469 -4.315 -7.588 1.00 1.00 N ATOM 1554 CZ ARG A 100 12.492 -3.465 -7.646 1.00 1.00 C ATOM 1555 NH1 ARG A 100 12.863 -2.809 -6.582 1.00 1.00 N ATOM 1556 NH2 ARG A 100 13.101 -3.261 -8.784 1.00 1.00 N ATOM 0 H ARG A 100 9.714 -2.245 -2.639 1.00 1.00 H new ATOM 0 HA ARG A 100 7.616 -2.954 -4.626 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.114 -4.486 -3.755 1.00 1.00 H new ATOM 0 HB3 ARG A 100 8.797 -5.228 -4.642 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.093 -3.588 -6.502 1.00 1.00 H new ATOM 0 HG3 ARG A 100 10.360 -2.774 -5.607 1.00 1.00 H new ATOM 0 HD2 ARG A 100 11.713 -4.867 -5.580 1.00 1.00 H new ATOM 0 HD3 ARG A 100 10.435 -5.719 -6.424 1.00 1.00 H new ATOM 0 HE ARG A 100 11.067 -4.674 -8.454 1.00 1.00 H new ATOM 0 HH11 ARG A 100 12.369 -2.946 -5.700 1.00 1.00 H new ATOM 0 HH12 ARG A 100 13.647 -2.159 -6.631 1.00 1.00 H new ATOM 0 HH21 ARG A 100 12.792 -3.752 -9.623 1.00 1.00 H new ATOM 0 HH22 ARG A 100 13.885 -2.611 -8.833 1.00 1.00 H new ATOM 1570 N PHE A 101 6.479 -4.599 -3.050 1.00 1.00 N ATOM 1571 CA PHE A 101 5.631 -5.248 -2.046 1.00 1.00 C ATOM 1572 C PHE A 101 5.209 -6.636 -2.511 1.00 1.00 C ATOM 1573 O PHE A 101 5.227 -6.935 -3.704 1.00 1.00 O ATOM 1574 CB PHE A 101 4.381 -4.407 -1.809 1.00 1.00 C ATOM 1575 CG PHE A 101 4.768 -3.073 -1.220 1.00 1.00 C ATOM 1576 CD1 PHE A 101 5.005 -2.964 0.154 1.00 1.00 C ATOM 1577 CD2 PHE A 101 4.875 -1.945 -2.042 1.00 1.00 C ATOM 1578 CE1 PHE A 101 5.354 -1.727 0.707 1.00 1.00 C ATOM 1579 CE2 PHE A 101 5.223 -0.708 -1.488 1.00 1.00 C ATOM 1580 CZ PHE A 101 5.461 -0.601 -0.114 1.00 1.00 C ATOM 0 H PHE A 101 6.166 -4.732 -4.012 1.00 1.00 H new ATOM 0 HA PHE A 101 6.204 -5.340 -1.123 1.00 1.00 H new ATOM 0 HB2 PHE A 101 3.847 -4.259 -2.748 1.00 1.00 H new ATOM 0 HB3 PHE A 101 3.702 -4.930 -1.135 1.00 1.00 H new ATOM 0 HD1 PHE A 101 4.919 -3.834 0.788 1.00 1.00 H new ATOM 0 HD2 PHE A 101 4.689 -2.029 -3.103 1.00 1.00 H new ATOM 0 HE1 PHE A 101 5.541 -1.642 1.767 1.00 1.00 H new ATOM 0 HE2 PHE A 101 5.308 0.163 -2.121 1.00 1.00 H new ATOM 0 HZ PHE A 101 5.728 0.354 0.314 1.00 1.00 H new ATOM 1590 N GLU A 102 4.826 -7.486 -1.558 1.00 1.00 N ATOM 1591 CA GLU A 102 4.397 -8.846 -1.884 1.00 1.00 C ATOM 1592 C GLU A 102 3.276 -9.299 -0.951 1.00 1.00 C ATOM 1593 O GLU A 102 3.435 -9.308 0.269 1.00 1.00 O ATOM 1594 CB GLU A 102 5.584 -9.800 -1.761 1.00 1.00 C ATOM 1595 CG GLU A 102 5.179 -11.187 -2.262 1.00 1.00 C ATOM 1596 CD GLU A 102 6.360 -12.145 -2.150 1.00 1.00 C ATOM 1597 OE1 GLU A 102 7.470 -11.669 -1.974 1.00 1.00 O ATOM 1598 OE2 GLU A 102 6.138 -13.341 -2.240 1.00 1.00 O ATOM 0 H GLU A 102 4.804 -7.260 -0.564 1.00 1.00 H new ATOM 0 HA GLU A 102 4.021 -8.856 -2.907 1.00 1.00 H new ATOM 0 HB2 GLU A 102 6.427 -9.424 -2.341 1.00 1.00 H new ATOM 0 HB3 GLU A 102 5.911 -9.858 -0.723 1.00 1.00 H new ATOM 0 HG2 GLU A 102 4.338 -11.563 -1.679 1.00 1.00 H new ATOM 0 HG3 GLU A 102 4.846 -11.126 -3.298 1.00 1.00 H new ATOM 1605 N ILE A 103 2.144 -9.689 -1.540 1.00 1.00 N ATOM 1606 CA ILE A 103 0.991 -10.162 -0.767 1.00 1.00 C ATOM 1607 C ILE A 103 0.807 -11.672 -0.999 1.00 1.00 C ATOM 1608 O ILE A 103 0.216 -12.067 -2.003 1.00 1.00 O ATOM 1609 CB ILE A 103 -0.285 -9.419 -1.213 1.00 1.00 C ATOM 1610 CG1 ILE A 103 0.023 -7.943 -1.519 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -1.345 -9.499 -0.108 1.00 1.00 C ATOM 1612 CD1 ILE A 103 0.530 -7.222 -0.265 1.00 1.00 C ATOM 0 H ILE A 103 2.000 -9.687 -2.550 1.00 1.00 H new ATOM 0 HA ILE A 103 1.167 -9.968 0.291 1.00 1.00 H new ATOM 0 HB ILE A 103 -0.661 -9.894 -2.119 1.00 1.00 H new ATOM 0 HG12 ILE A 103 0.772 -7.879 -2.309 1.00 1.00 H new ATOM 0 HG13 ILE A 103 -0.875 -7.449 -1.890 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -2.244 -8.973 -0.428 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -1.587 -10.543 0.090 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -0.959 -9.038 0.801 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.741 -6.180 -0.505 1.00 1.00 H new ATOM 0 HD12 ILE A 103 -0.231 -7.268 0.514 1.00 1.00 H new ATOM 0 HD13 ILE A 103 1.441 -7.705 0.089 1.00 1.00 H new ATOM 1624 N PRO A 104 1.308 -12.531 -0.131 1.00 1.00 N ATOM 1625 CA PRO A 104 1.179 -14.005 -0.328 1.00 1.00 C ATOM 1626 C PRO A 104 -0.248 -14.509 -0.095 1.00 1.00 C ATOM 1627 O PRO A 104 -0.587 -15.630 -0.473 1.00 1.00 O ATOM 1628 CB PRO A 104 2.172 -14.600 0.681 1.00 1.00 C ATOM 1629 CG PRO A 104 2.289 -13.578 1.769 1.00 1.00 C ATOM 1630 CD PRO A 104 2.036 -12.211 1.118 1.00 1.00 C ATOM 0 HA PRO A 104 1.396 -14.300 -1.355 1.00 1.00 H new ATOM 0 HB2 PRO A 104 1.813 -15.552 1.072 1.00 1.00 H new ATOM 0 HB3 PRO A 104 3.139 -14.791 0.215 1.00 1.00 H new ATOM 0 HG2 PRO A 104 1.564 -13.770 2.560 1.00 1.00 H new ATOM 0 HG3 PRO A 104 3.277 -13.612 2.227 1.00 1.00 H new ATOM 0 HD2 PRO A 104 1.447 -11.564 1.768 1.00 1.00 H new ATOM 0 HD3 PRO A 104 2.971 -11.689 0.911 1.00 1.00 H new ATOM 1638 N ASP A 105 -1.081 -13.674 0.523 1.00 1.00 N ATOM 1639 CA ASP A 105 -2.472 -14.042 0.793 1.00 1.00 C ATOM 1640 C ASP A 105 -3.374 -13.531 -0.327 1.00 1.00 C ATOM 1641 O ASP A 105 -3.516 -12.326 -0.525 1.00 1.00 O ATOM 1642 CB ASP A 105 -2.907 -13.462 2.141 1.00 1.00 C ATOM 1643 CG ASP A 105 -2.283 -14.258 3.284 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -1.777 -15.338 3.023 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -2.319 -13.775 4.401 1.00 1.00 O ATOM 0 H ASP A 105 -0.820 -12.742 0.845 1.00 1.00 H new ATOM 0 HA ASP A 105 -2.556 -15.128 0.835 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -2.606 -12.417 2.209 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -3.994 -13.487 2.222 1.00 1.00 H new ATOM 1650 N GLU A 106 -3.954 -14.466 -1.072 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.815 -14.127 -2.202 1.00 1.00 C ATOM 1652 C GLU A 106 -6.011 -13.275 -1.782 1.00 1.00 C ATOM 1653 O GLU A 106 -6.230 -12.200 -2.334 1.00 1.00 O ATOM 1654 CB GLU A 106 -5.323 -15.414 -2.857 1.00 1.00 C ATOM 1655 CG GLU A 106 -6.095 -15.073 -4.134 1.00 1.00 C ATOM 1656 CD GLU A 106 -6.534 -16.356 -4.831 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -6.437 -17.405 -4.215 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -6.963 -16.272 -5.970 1.00 1.00 O ATOM 0 H GLU A 106 -3.844 -15.468 -0.914 1.00 1.00 H new ATOM 0 HA GLU A 106 -4.220 -13.544 -2.905 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -4.484 -16.070 -3.092 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -5.967 -15.956 -2.165 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -6.966 -14.464 -3.892 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.468 -14.482 -4.802 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.789 -13.756 -0.821 1.00 1.00 N ATOM 1666 CA GLU A 107 -7.967 -13.016 -0.377 1.00 1.00 C ATOM 1667 C GLU A 107 -7.598 -11.580 -0.023 1.00 1.00 C ATOM 1668 O GLU A 107 -8.304 -10.641 -0.390 1.00 1.00 O ATOM 1669 CB GLU A 107 -8.612 -13.712 0.827 1.00 1.00 C ATOM 1670 CG GLU A 107 -7.605 -13.827 1.974 1.00 1.00 C ATOM 1671 CD GLU A 107 -8.198 -14.671 3.098 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -8.834 -15.666 2.791 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -8.011 -14.308 4.247 1.00 1.00 O ATOM 0 H GLU A 107 -6.631 -14.641 -0.339 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.687 -12.995 -1.195 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -9.486 -13.150 1.156 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -8.961 -14.704 0.539 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -6.681 -14.280 1.615 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -7.350 -12.835 2.347 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.486 -11.413 0.677 1.00 1.00 N ATOM 1681 CA HIS A 108 -6.031 -10.083 1.054 1.00 1.00 C ATOM 1682 C HIS A 108 -5.589 -9.308 -0.185 1.00 1.00 C ATOM 1683 O HIS A 108 -5.823 -8.105 -0.295 1.00 1.00 O ATOM 1684 CB HIS A 108 -4.859 -10.195 2.028 1.00 1.00 C ATOM 1685 CG HIS A 108 -5.333 -10.707 3.366 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -6.590 -10.900 3.895 1.00 1.00 N flip ATOM 1687 CD2 HIS A 108 -4.447 -11.092 4.359 1.00 1.00 C flip ATOM 1688 CE1 HIS A 108 -6.480 -11.395 5.192 1.00 1.00 C flip ATOM 1689 NE2 HIS A 108 -5.169 -11.492 5.421 1.00 1.00 N flip ATOM 0 H HIS A 108 -5.886 -12.175 0.993 1.00 1.00 H new ATOM 0 HA HIS A 108 -6.854 -9.552 1.533 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -4.103 -10.867 1.621 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -4.386 -9.221 2.151 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -3.369 -11.074 4.292 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -7.284 -11.647 5.868 1.00 1.00 H new ATOM 0 HE2 HIS A 108 -4.764 -11.828 6.295 1.00 1.00 H new ATOM 1697 N CYS A 109 -4.940 -10.007 -1.110 1.00 1.00 N ATOM 1698 CA CYS A 109 -4.455 -9.378 -2.334 1.00 1.00 C ATOM 1699 C CYS A 109 -5.602 -8.778 -3.138 1.00 1.00 C ATOM 1700 O CYS A 109 -5.478 -7.691 -3.691 1.00 1.00 O ATOM 1701 CB CYS A 109 -3.694 -10.412 -3.185 1.00 1.00 C ATOM 1702 SG CYS A 109 -2.397 -9.585 -4.146 1.00 1.00 S ATOM 0 H CYS A 109 -4.738 -11.004 -1.037 1.00 1.00 H new ATOM 0 HA CYS A 109 -3.780 -8.568 -2.058 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.253 -11.172 -2.541 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.385 -10.924 -3.855 1.00 1.00 H new ATOM 1707 N LEU A 110 -6.709 -9.492 -3.223 1.00 1.00 N ATOM 1708 CA LEU A 110 -7.840 -9.004 -3.993 1.00 1.00 C ATOM 1709 C LEU A 110 -8.400 -7.721 -3.412 1.00 1.00 C ATOM 1710 O LEU A 110 -8.691 -6.776 -4.145 1.00 1.00 O ATOM 1711 CB LEU A 110 -8.948 -10.045 -3.994 1.00 1.00 C ATOM 1712 CG LEU A 110 -8.457 -11.337 -4.652 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -9.559 -12.398 -4.549 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -8.111 -11.081 -6.129 1.00 1.00 C ATOM 0 H LEU A 110 -6.850 -10.398 -2.776 1.00 1.00 H new ATOM 0 HA LEU A 110 -7.485 -8.811 -5.005 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -9.268 -10.247 -2.972 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -9.816 -9.662 -4.530 1.00 1.00 H new ATOM 0 HG LEU A 110 -7.560 -11.688 -4.142 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -9.219 -13.323 -5.015 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -9.788 -12.584 -3.500 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -10.455 -12.043 -5.059 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -7.763 -12.007 -6.587 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -8.998 -10.727 -6.655 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -7.326 -10.327 -6.194 1.00 1.00 H new ATOM 1726 N LYS A 111 -8.567 -7.691 -2.101 1.00 1.00 N ATOM 1727 CA LYS A 111 -9.111 -6.508 -1.468 1.00 1.00 C ATOM 1728 C LYS A 111 -8.150 -5.337 -1.601 1.00 1.00 C ATOM 1729 O LYS A 111 -8.551 -4.216 -1.913 1.00 1.00 O ATOM 1730 CB LYS A 111 -9.380 -6.766 0.016 1.00 1.00 C ATOM 1731 CG LYS A 111 -10.569 -7.717 0.168 1.00 1.00 C ATOM 1732 CD LYS A 111 -10.836 -7.996 1.654 1.00 1.00 C ATOM 1733 CE LYS A 111 -9.787 -8.964 2.219 1.00 1.00 C ATOM 1734 NZ LYS A 111 -10.245 -9.456 3.549 1.00 1.00 N ATOM 0 H LYS A 111 -8.338 -8.457 -1.467 1.00 1.00 H new ATOM 0 HA LYS A 111 -10.048 -6.265 -1.969 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -8.496 -7.196 0.486 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -9.587 -5.826 0.527 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -11.455 -7.280 -0.293 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -10.366 -8.652 -0.355 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -10.815 -7.061 2.214 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -11.833 -8.419 1.777 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -9.643 -9.802 1.537 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -8.824 -8.462 2.315 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -9.539 -10.113 3.938 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -10.362 -8.650 4.196 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -11.155 -9.949 3.442 1.00 1.00 H new ATOM 1748 N PHE A 112 -6.880 -5.610 -1.337 1.00 1.00 N ATOM 1749 CA PHE A 112 -5.855 -4.579 -1.399 1.00 1.00 C ATOM 1750 C PHE A 112 -5.742 -3.995 -2.802 1.00 1.00 C ATOM 1751 O PHE A 112 -5.747 -2.775 -2.973 1.00 1.00 O ATOM 1752 CB PHE A 112 -4.516 -5.182 -0.961 1.00 1.00 C ATOM 1753 CG PHE A 112 -3.377 -4.207 -1.194 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -3.420 -2.915 -0.647 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -2.266 -4.604 -1.954 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -2.360 -2.027 -0.864 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -1.209 -3.715 -2.168 1.00 1.00 C ATOM 1758 CZ PHE A 112 -1.256 -2.426 -1.625 1.00 1.00 C ATOM 0 H PHE A 112 -6.536 -6.535 -1.078 1.00 1.00 H new ATOM 0 HA PHE A 112 -6.131 -3.765 -0.728 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -4.561 -5.448 0.095 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -4.330 -6.103 -1.514 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -4.271 -2.606 -0.059 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -2.228 -5.598 -2.374 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -2.394 -1.033 -0.444 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -0.355 -4.023 -2.753 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.440 -1.739 -1.793 1.00 1.00 H new ATOM 1768 N LEU A 113 -5.640 -4.861 -3.803 1.00 1.00 N ATOM 1769 CA LEU A 113 -5.526 -4.402 -5.180 1.00 1.00 C ATOM 1770 C LEU A 113 -6.798 -3.685 -5.636 1.00 1.00 C ATOM 1771 O LEU A 113 -6.732 -2.653 -6.306 1.00 1.00 O ATOM 1772 CB LEU A 113 -5.217 -5.598 -6.092 1.00 1.00 C ATOM 1773 CG LEU A 113 -3.691 -5.827 -6.176 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -3.021 -4.756 -7.079 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -3.059 -5.805 -4.774 1.00 1.00 C ATOM 0 H LEU A 113 -5.634 -5.875 -3.689 1.00 1.00 H new ATOM 0 HA LEU A 113 -4.710 -3.682 -5.242 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -5.705 -6.493 -5.707 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -5.620 -5.418 -7.089 1.00 1.00 H new ATOM 0 HG LEU A 113 -3.524 -6.809 -6.619 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -1.947 -4.937 -7.123 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -3.440 -4.813 -8.084 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -3.205 -3.765 -6.665 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -1.984 -5.968 -4.857 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.244 -4.838 -4.307 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -3.500 -6.593 -4.164 1.00 1.00 H new ATOM 1787 N SER A 114 -7.952 -4.240 -5.285 1.00 1.00 N ATOM 1788 CA SER A 114 -9.223 -3.643 -5.680 1.00 1.00 C ATOM 1789 C SER A 114 -9.410 -2.263 -5.056 1.00 1.00 C ATOM 1790 O SER A 114 -9.832 -1.321 -5.727 1.00 1.00 O ATOM 1791 CB SER A 114 -10.374 -4.553 -5.255 1.00 1.00 C ATOM 1792 OG SER A 114 -11.606 -3.981 -5.671 1.00 1.00 O ATOM 0 H SER A 114 -8.035 -5.094 -4.733 1.00 1.00 H new ATOM 0 HA SER A 114 -9.218 -3.529 -6.764 1.00 1.00 H new ATOM 0 HB2 SER A 114 -10.252 -5.542 -5.696 1.00 1.00 H new ATOM 0 HB3 SER A 114 -10.368 -4.684 -4.173 1.00 1.00 H new ATOM 0 HG SER A 114 -12.345 -4.564 -5.400 1.00 1.00 H new ATOM 1798 N ALA A 115 -9.110 -2.154 -3.766 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.270 -0.887 -3.060 1.00 1.00 C ATOM 1800 C ALA A 115 -8.321 0.181 -3.606 1.00 1.00 C ATOM 1801 O ALA A 115 -8.747 1.291 -3.927 1.00 1.00 O ATOM 1802 CB ALA A 115 -9.019 -1.098 -1.561 1.00 1.00 C ATOM 0 H ALA A 115 -8.758 -2.920 -3.192 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.290 -0.536 -3.215 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.139 -0.151 -1.035 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -9.734 -1.823 -1.171 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -8.006 -1.471 -1.411 1.00 1.00 H new ATOM 1808 N VAL A 116 -7.040 -0.155 -3.705 1.00 1.00 N ATOM 1809 CA VAL A 116 -6.051 0.795 -4.208 1.00 1.00 C ATOM 1810 C VAL A 116 -6.322 1.146 -5.670 1.00 1.00 C ATOM 1811 O VAL A 116 -6.294 2.316 -6.051 1.00 1.00 O ATOM 1812 CB VAL A 116 -4.643 0.204 -4.067 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -3.624 1.108 -4.769 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.288 0.099 -2.583 1.00 1.00 C ATOM 0 H VAL A 116 -6.663 -1.067 -3.447 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.123 1.709 -3.618 1.00 1.00 H new ATOM 0 HB VAL A 116 -4.620 -0.785 -4.525 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -2.626 0.681 -4.664 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -3.876 1.187 -5.827 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -3.644 2.099 -4.316 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.288 -0.321 -2.477 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.315 1.091 -2.131 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -5.008 -0.548 -2.082 1.00 1.00 H new ATOM 1824 N LEU A 117 -6.577 0.128 -6.484 1.00 1.00 N ATOM 1825 CA LEU A 117 -6.840 0.350 -7.903 1.00 1.00 C ATOM 1826 C LEU A 117 -8.090 1.203 -8.091 1.00 1.00 C ATOM 1827 O LEU A 117 -8.087 2.171 -8.852 1.00 1.00 O ATOM 1828 CB LEU A 117 -7.033 -1.000 -8.601 1.00 1.00 C ATOM 1829 CG LEU A 117 -7.413 -0.796 -10.073 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -6.343 0.044 -10.781 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -7.529 -2.163 -10.754 1.00 1.00 C ATOM 0 H LEU A 117 -6.607 -0.849 -6.192 1.00 1.00 H new ATOM 0 HA LEU A 117 -5.991 0.876 -8.339 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -6.116 -1.585 -8.534 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -7.812 -1.570 -8.094 1.00 1.00 H new ATOM 0 HG LEU A 117 -8.367 -0.272 -10.132 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -6.622 0.183 -11.825 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -6.262 1.016 -10.294 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -5.383 -0.469 -10.727 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -7.799 -2.026 -11.801 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -6.573 -2.683 -10.691 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -8.297 -2.754 -10.255 1.00 1.00 H new ATOM 1843 N ALA A 118 -9.151 0.829 -7.393 1.00 1.00 N ATOM 1844 CA ALA A 118 -10.416 1.551 -7.479 1.00 1.00 C ATOM 1845 C ALA A 118 -10.250 2.982 -6.982 1.00 1.00 C ATOM 1846 O ALA A 118 -10.882 3.905 -7.497 1.00 1.00 O ATOM 1847 CB ALA A 118 -11.479 0.831 -6.648 1.00 1.00 C ATOM 0 H ALA A 118 -9.164 0.030 -6.760 1.00 1.00 H new ATOM 0 HA ALA A 118 -10.731 1.581 -8.522 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.422 1.373 -6.715 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -11.615 -0.181 -7.029 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -11.159 0.787 -5.607 1.00 1.00 H new ATOM 1853 N ALA A 119 -9.401 3.159 -5.977 1.00 1.00 N ATOM 1854 CA ALA A 119 -9.166 4.481 -5.417 1.00 1.00 C ATOM 1855 C ALA A 119 -8.601 5.420 -6.479 1.00 1.00 C ATOM 1856 O ALA A 119 -8.978 6.589 -6.541 1.00 1.00 O ATOM 1857 CB ALA A 119 -8.191 4.384 -4.239 1.00 1.00 C ATOM 0 H ALA A 119 -8.868 2.409 -5.537 1.00 1.00 H new ATOM 0 HA ALA A 119 -10.117 4.882 -5.066 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -8.020 5.378 -3.825 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -8.613 3.738 -3.469 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -7.245 3.967 -4.583 1.00 1.00 H new ATOM 1863 N GLN A 120 -7.698 4.908 -7.310 1.00 1.00 N ATOM 1864 CA GLN A 120 -7.101 5.730 -8.358 1.00 1.00 C ATOM 1865 C GLN A 120 -8.140 6.151 -9.386 1.00 1.00 C ATOM 1866 O GLN A 120 -8.184 7.305 -9.804 1.00 1.00 O ATOM 1867 CB GLN A 120 -5.969 4.973 -9.057 1.00 1.00 C ATOM 1868 CG GLN A 120 -4.774 4.855 -8.112 1.00 1.00 C ATOM 1869 CD GLN A 120 -3.639 4.103 -8.798 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -2.506 4.712 -9.020 1.00 1.00 O flip ATOM 1871 NE2 GLN A 120 -3.791 2.931 -9.143 1.00 1.00 N flip ATOM 0 H GLN A 120 -7.367 3.943 -7.280 1.00 1.00 H new ATOM 0 HA GLN A 120 -6.697 6.624 -7.883 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -6.310 3.981 -9.354 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -5.676 5.496 -9.967 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -4.436 5.848 -7.814 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -5.070 4.333 -7.202 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -4.678 2.459 -8.968 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -3.030 2.432 -9.604 1.00 1.00 H new ATOM 1880 N LYS A 121 -8.970 5.210 -9.802 1.00 1.00 N ATOM 1881 CA LYS A 121 -10.001 5.502 -10.786 1.00 1.00 C ATOM 1882 C LYS A 121 -11.028 6.460 -10.211 1.00 1.00 C ATOM 1883 O LYS A 121 -11.482 7.392 -10.876 1.00 1.00 O ATOM 1884 CB LYS A 121 -10.709 4.215 -11.166 1.00 1.00 C ATOM 1885 CG LYS A 121 -9.724 3.275 -11.848 1.00 1.00 C ATOM 1886 CD LYS A 121 -10.378 1.907 -11.979 1.00 1.00 C ATOM 1887 CE LYS A 121 -9.387 0.914 -12.595 1.00 1.00 C ATOM 1888 NZ LYS A 121 -9.219 1.198 -14.051 1.00 1.00 N ATOM 0 H LYS A 121 -8.952 4.243 -9.477 1.00 1.00 H new ATOM 0 HA LYS A 121 -9.530 5.955 -11.658 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -11.125 3.740 -10.277 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -11.544 4.430 -11.833 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -9.450 3.660 -12.830 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -8.805 3.202 -11.267 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -10.700 1.553 -11.000 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -11.270 1.978 -12.602 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -8.425 0.986 -12.088 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -9.746 -0.106 -12.454 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -8.626 0.460 -14.482 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -10.151 1.207 -14.513 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -8.763 2.124 -14.174 1.00 1.00 H new ATOM 1902 N ALA A 122 -11.409 6.191 -8.973 1.00 1.00 N ATOM 1903 CA ALA A 122 -12.413 7.000 -8.293 1.00 1.00 C ATOM 1904 C ALA A 122 -11.949 8.442 -8.097 1.00 1.00 C ATOM 1905 O ALA A 122 -12.684 9.381 -8.395 1.00 1.00 O ATOM 1906 CB ALA A 122 -12.736 6.372 -6.938 1.00 1.00 C ATOM 0 H ALA A 122 -11.040 5.420 -8.417 1.00 1.00 H new ATOM 0 HA ALA A 122 -13.305 7.025 -8.919 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -13.487 6.975 -6.427 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -13.121 5.363 -7.087 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -11.831 6.329 -6.332 1.00 1.00 H new ATOM 1912 N GLN A 123 -10.732 8.613 -7.594 1.00 1.00 N ATOM 1913 CA GLN A 123 -10.199 9.953 -7.365 1.00 1.00 C ATOM 1914 C GLN A 123 -9.856 10.626 -8.693 1.00 1.00 C ATOM 1915 O GLN A 123 -10.064 11.827 -8.864 1.00 1.00 O ATOM 1916 CB GLN A 123 -8.958 9.882 -6.469 1.00 1.00 C ATOM 1917 CG GLN A 123 -7.796 9.272 -7.246 1.00 1.00 C ATOM 1918 CD GLN A 123 -6.673 8.883 -6.292 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -6.765 7.777 -5.604 1.00 1.00 O flip ATOM 1920 NE2 GLN A 123 -5.682 9.604 -6.174 1.00 1.00 N flip ATOM 0 H GLN A 123 -10.102 7.852 -7.339 1.00 1.00 H new ATOM 0 HA GLN A 123 -10.961 10.549 -6.863 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -8.691 10.880 -6.121 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -9.171 9.282 -5.584 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -8.137 8.394 -7.795 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -7.427 9.986 -7.983 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -5.612 10.467 -6.713 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -4.931 9.338 -5.538 1.00 1.00 H new ATOM 1929 N SER A 124 -9.326 9.840 -9.626 1.00 1.00 N ATOM 1930 CA SER A 124 -8.952 10.359 -10.936 1.00 1.00 C ATOM 1931 C SER A 124 -10.168 10.421 -11.855 1.00 1.00 C ATOM 1932 O SER A 124 -10.061 9.962 -12.980 1.00 1.00 O ATOM 1933 CB SER A 124 -7.884 9.462 -11.564 1.00 1.00 C ATOM 1934 OG SER A 124 -8.501 8.293 -12.088 1.00 1.00 O ATOM 1935 OXT SER A 124 -11.189 10.927 -11.421 1.00 1.00 O ATOM 0 H SER A 124 -9.147 8.844 -9.499 1.00 1.00 H new ATOM 0 HA SER A 124 -8.555 11.366 -10.808 1.00 1.00 H new ATOM 0 HB2 SER A 124 -7.362 9.998 -12.357 1.00 1.00 H new ATOM 0 HB3 SER A 124 -7.137 9.190 -10.818 1.00 1.00 H new ATOM 0 HG SER A 124 -8.236 7.516 -11.554 1.00 1.00 H new