USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 600 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 42 MET CE :methyl 173:sc= -1.93! (180deg=-1.23) USER MOD Set 1.2: A 59 GLN : amide:sc= -0.423 K(o=-2.4,f=-4.8) USER MOD Set 2.1: A 35 ASN : amide:sc= -0.0827 K(o=-0.083,f=-2.4!) USER MOD Set 2.2: A 36 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.16) USER MOD Single : A 12 THR OG1 : rot -67:sc= -2.47! USER MOD Single : A 13 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.0034) USER MOD Single : A 14 ASN : amide:sc= -6.26! C(o=-6.3!,f=-14!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -7.07! C(o=-7.1!,f=-8.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot -110:sc= -2.45! USER MOD Single : A 41 CYS SG : rot 26:sc= -11.6! USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 27:sc= -1.07! USER MOD Single : A 56 TYR OH : rot 180:sc=-0.00245 USER MOD Single : A 58 TYR OH : rot 13:sc= -3.69! USER MOD Single : A 61 TYR OH : rot 180:sc= -0.152 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -114:sc= -4.95! USER MOD Single : A 67 LYS NZ :NH3+ 169:sc= -4.11! (180deg=-4.92) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -2.54! C(o=-2.5!,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 -9.537 9.427 -4.828 1.00 0.00 N ATOM 11 CA GLU A 2 -8.481 10.345 -4.303 1.00 0.00 C ATOM 12 C GLU A 2 -7.140 9.615 -4.213 1.00 0.00 C ATOM 13 O GLU A 2 -7.081 8.400 -4.211 1.00 0.00 O ATOM 14 CB GLU A 2 -8.961 10.749 -2.911 1.00 0.00 C ATOM 15 CG GLU A 2 -8.164 11.962 -2.428 1.00 0.00 C ATOM 16 CD GLU A 2 -8.586 13.199 -3.223 1.00 0.00 C ATOM 17 OE1 GLU A 2 -9.736 13.588 -3.111 1.00 0.00 O ATOM 18 OE2 GLU A 2 -7.751 13.736 -3.933 1.00 0.00 O ATOM 0 HA GLU A 2 -8.330 11.209 -4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.025 10.986 -2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.836 9.918 -2.216 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.337 12.124 -1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.096 11.783 -2.554 1.00 0.00 H new ATOM 25 N TRP A 3 -6.059 10.345 -4.135 1.00 0.00 N ATOM 26 CA TRP A 3 -4.727 9.684 -4.045 1.00 0.00 C ATOM 27 C TRP A 3 -3.887 10.303 -2.924 1.00 0.00 C ATOM 28 O TRP A 3 -4.304 11.228 -2.257 1.00 0.00 O ATOM 29 CB TRP A 3 -4.068 9.914 -5.406 1.00 0.00 C ATOM 30 CG TRP A 3 -4.213 11.349 -5.800 1.00 0.00 C ATOM 31 CD1 TRP A 3 -3.918 12.407 -5.009 1.00 0.00 C ATOM 32 CD2 TRP A 3 -4.679 11.903 -7.065 1.00 0.00 C ATOM 33 NE1 TRP A 3 -4.175 13.573 -5.707 1.00 0.00 N ATOM 34 CE2 TRP A 3 -4.646 13.314 -6.980 1.00 0.00 C ATOM 35 CE3 TRP A 3 -5.124 11.321 -8.266 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -5.040 14.121 -8.048 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -5.521 12.131 -9.343 1.00 0.00 C ATOM 38 CH2 TRP A 3 -5.480 13.528 -9.234 1.00 0.00 C ATOM 0 H TRP A 3 -6.042 11.365 -4.130 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.818 8.623 -3.813 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.013 9.644 -5.360 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -4.529 9.272 -6.157 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -3.543 12.350 -3.998 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -4.034 14.510 -5.328 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -5.161 10.246 -8.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -5.005 15.197 -7.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -5.860 11.674 -10.261 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -5.788 14.145 -10.065 1.00 0.00 H new ATOM 49 N GLU A 4 -2.705 9.789 -2.712 1.00 0.00 N ATOM 50 CA GLU A 4 -1.829 10.329 -1.633 1.00 0.00 C ATOM 51 C GLU A 4 -0.539 9.503 -1.550 1.00 0.00 C ATOM 52 O GLU A 4 -0.569 8.313 -1.305 1.00 0.00 O ATOM 53 CB GLU A 4 -2.657 10.187 -0.352 1.00 0.00 C ATOM 54 CG GLU A 4 -1.738 10.219 0.871 1.00 0.00 C ATOM 55 CD GLU A 4 -2.236 11.274 1.859 1.00 0.00 C ATOM 56 OE1 GLU A 4 -3.413 11.246 2.182 1.00 0.00 O ATOM 57 OE2 GLU A 4 -1.435 12.094 2.273 1.00 0.00 O ATOM 0 H GLU A 4 -2.307 9.014 -3.243 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.530 11.363 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.387 10.994 -0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.216 9.252 -0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.718 9.240 1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.717 10.446 0.565 1.00 0.00 H new ATOM 64 N ILE A 5 0.591 10.123 -1.761 1.00 0.00 N ATOM 65 CA ILE A 5 1.877 9.382 -1.708 1.00 0.00 C ATOM 66 C ILE A 5 2.275 9.084 -0.258 1.00 0.00 C ATOM 67 O ILE A 5 1.588 9.449 0.676 1.00 0.00 O ATOM 68 CB ILE A 5 2.880 10.329 -2.358 1.00 0.00 C ATOM 69 CG1 ILE A 5 3.202 11.475 -1.396 1.00 0.00 C ATOM 70 CG2 ILE A 5 2.291 10.899 -3.650 1.00 0.00 C ATOM 71 CD1 ILE A 5 4.312 12.344 -1.990 1.00 0.00 C ATOM 0 H ILE A 5 0.675 11.118 -1.969 1.00 0.00 H new ATOM 0 HA ILE A 5 1.823 8.417 -2.212 1.00 0.00 H new ATOM 0 HB ILE A 5 3.793 9.780 -2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.310 12.076 -1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.515 11.077 -0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.011 11.575 -4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.066 10.084 -4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.375 11.445 -3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.541 13.160 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.205 11.738 -2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.982 12.754 -2.945 1.00 0.00 H new ATOM 83 N ILE A 6 3.382 8.414 -0.067 1.00 0.00 N ATOM 84 CA ILE A 6 3.828 8.079 1.322 1.00 0.00 C ATOM 85 C ILE A 6 4.782 9.156 1.861 1.00 0.00 C ATOM 86 O ILE A 6 4.872 10.243 1.327 1.00 0.00 O ATOM 87 CB ILE A 6 4.541 6.718 1.211 1.00 0.00 C ATOM 88 CG1 ILE A 6 6.024 6.907 0.849 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.865 5.852 0.143 1.00 0.00 C ATOM 90 CD1 ILE A 6 6.161 7.782 -0.396 1.00 0.00 C ATOM 0 H ILE A 6 3.997 8.084 -0.811 1.00 0.00 H new ATOM 0 HA ILE A 6 2.988 8.035 2.016 1.00 0.00 H new ATOM 0 HB ILE A 6 4.473 6.222 2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.553 7.366 1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.488 5.937 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.378 4.893 0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.822 5.687 0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.913 6.359 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.216 7.906 -0.639 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.649 7.307 -1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.715 8.758 -0.205 1.00 0.00 H new ATOM 102 N ASP A 7 5.498 8.856 2.916 1.00 0.00 N ATOM 103 CA ASP A 7 6.446 9.859 3.484 1.00 0.00 C ATOM 104 C ASP A 7 7.550 9.168 4.291 1.00 0.00 C ATOM 105 O ASP A 7 7.872 9.571 5.391 1.00 0.00 O ATOM 106 CB ASP A 7 5.592 10.749 4.388 1.00 0.00 C ATOM 107 CG ASP A 7 6.380 12.007 4.757 1.00 0.00 C ATOM 108 OD1 ASP A 7 7.598 11.942 4.753 1.00 0.00 O ATOM 109 OD2 ASP A 7 5.752 13.015 5.038 1.00 0.00 O ATOM 0 H ASP A 7 5.466 7.962 3.406 1.00 0.00 H new ATOM 0 HA ASP A 7 6.947 10.432 2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.668 11.022 3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.310 10.206 5.290 1.00 0.00 H new ATOM 114 N ILE A 8 8.127 8.133 3.745 1.00 0.00 N ATOM 115 CA ILE A 8 9.215 7.398 4.453 1.00 0.00 C ATOM 116 C ILE A 8 8.877 7.275 5.934 1.00 0.00 C ATOM 117 O ILE A 8 9.731 7.375 6.794 1.00 0.00 O ATOM 118 CB ILE A 8 10.480 8.237 4.242 1.00 0.00 C ATOM 119 CG1 ILE A 8 11.702 7.430 4.689 1.00 0.00 C ATOM 120 CG2 ILE A 8 10.397 9.527 5.059 1.00 0.00 C ATOM 121 CD1 ILE A 8 12.969 8.053 4.101 1.00 0.00 C ATOM 0 H ILE A 8 7.888 7.760 2.826 1.00 0.00 H new ATOM 0 HA ILE A 8 9.348 6.385 4.073 1.00 0.00 H new ATOM 0 HB ILE A 8 10.569 8.490 3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.763 7.415 5.777 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.607 6.395 4.361 1.00 0.00 H new ATOM 0 HG21 ILE A 8 11.301 10.116 4.902 1.00 0.00 H new ATOM 0 HG22 ILE A 8 9.528 10.104 4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.303 9.282 6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 8 13.839 7.478 4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.907 8.045 3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 8 13.065 9.081 4.451 1.00 0.00 H new ATOM 133 N GLY A 9 7.630 7.065 6.232 1.00 0.00 N ATOM 134 CA GLY A 9 7.221 6.943 7.663 1.00 0.00 C ATOM 135 C GLY A 9 6.110 5.897 7.836 1.00 0.00 C ATOM 136 O GLY A 9 6.307 4.888 8.486 1.00 0.00 O ATOM 0 H GLY A 9 6.875 6.972 5.553 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.084 6.664 8.268 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.874 7.910 8.028 1.00 0.00 H new ATOM 140 N PRO A 10 4.966 6.186 7.277 1.00 0.00 N ATOM 141 CA PRO A 10 3.806 5.274 7.406 1.00 0.00 C ATOM 142 C PRO A 10 3.920 4.086 6.449 1.00 0.00 C ATOM 143 O PRO A 10 4.289 2.998 6.845 1.00 0.00 O ATOM 144 CB PRO A 10 2.617 6.158 7.047 1.00 0.00 C ATOM 145 CG PRO A 10 3.173 7.248 6.182 1.00 0.00 C ATOM 146 CD PRO A 10 4.650 7.369 6.473 1.00 0.00 C ATOM 0 HA PRO A 10 3.724 4.835 8.400 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.851 5.590 6.518 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.149 6.568 7.942 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.010 7.019 5.129 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.666 8.191 6.385 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.235 7.391 5.553 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.873 8.288 7.015 1.00 0.00 H new ATOM 154 N PHE A 11 3.597 4.280 5.198 1.00 0.00 N ATOM 155 CA PHE A 11 3.679 3.154 4.221 1.00 0.00 C ATOM 156 C PHE A 11 4.933 2.322 4.486 1.00 0.00 C ATOM 157 O PHE A 11 4.962 1.129 4.252 1.00 0.00 O ATOM 158 CB PHE A 11 3.745 3.821 2.850 1.00 0.00 C ATOM 159 CG PHE A 11 2.437 4.526 2.583 1.00 0.00 C ATOM 160 CD1 PHE A 11 1.374 3.827 2.000 1.00 0.00 C ATOM 161 CD2 PHE A 11 2.282 5.876 2.924 1.00 0.00 C ATOM 162 CE1 PHE A 11 0.158 4.476 1.758 1.00 0.00 C ATOM 163 CE2 PHE A 11 1.066 6.525 2.682 1.00 0.00 C ATOM 164 CZ PHE A 11 0.004 5.825 2.098 1.00 0.00 C ATOM 0 H PHE A 11 3.280 5.169 4.810 1.00 0.00 H new ATOM 0 HA PHE A 11 2.830 2.475 4.295 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.570 4.533 2.817 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.936 3.076 2.078 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.492 2.786 1.737 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.102 6.416 3.374 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.662 3.936 1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.947 7.566 2.946 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.934 6.326 1.910 1.00 0.00 H new ATOM 174 N THR A 12 5.962 2.936 4.999 1.00 0.00 N ATOM 175 CA THR A 12 7.198 2.182 5.310 1.00 0.00 C ATOM 176 C THR A 12 6.864 1.112 6.343 1.00 0.00 C ATOM 177 O THR A 12 7.028 -0.071 6.119 1.00 0.00 O ATOM 178 CB THR A 12 8.143 3.223 5.911 1.00 0.00 C ATOM 179 OG1 THR A 12 7.731 3.526 7.237 1.00 0.00 O ATOM 180 CG2 THR A 12 8.124 4.499 5.068 1.00 0.00 C ATOM 0 H THR A 12 5.996 3.932 5.216 1.00 0.00 H new ATOM 0 HA THR A 12 7.637 1.690 4.442 1.00 0.00 H new ATOM 0 HB THR A 12 9.156 2.820 5.923 1.00 0.00 H new ATOM 0 HG1 THR A 12 6.869 3.991 7.213 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.800 5.234 5.505 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.445 4.269 4.052 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.113 4.905 5.045 1.00 0.00 H new ATOM 188 N GLN A 13 6.376 1.537 7.471 1.00 0.00 N ATOM 189 CA GLN A 13 6.003 0.567 8.538 1.00 0.00 C ATOM 190 C GLN A 13 4.806 -0.267 8.080 1.00 0.00 C ATOM 191 O GLN A 13 4.464 -1.270 8.674 1.00 0.00 O ATOM 192 CB GLN A 13 5.631 1.427 9.747 1.00 0.00 C ATOM 193 CG GLN A 13 6.366 0.913 10.987 1.00 0.00 C ATOM 194 CD GLN A 13 6.163 1.894 12.143 1.00 0.00 C ATOM 195 OE1 GLN A 13 5.854 1.493 13.248 1.00 0.00 O ATOM 196 NE2 GLN A 13 6.325 3.172 11.935 1.00 0.00 N ATOM 0 H GLN A 13 6.218 2.518 7.703 1.00 0.00 H new ATOM 0 HA GLN A 13 6.810 -0.128 8.772 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.895 2.468 9.561 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.554 1.396 9.911 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.991 -0.073 11.262 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.429 0.802 10.773 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.584 3.509 11.008 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.192 3.834 12.700 1.00 0.00 H new ATOM 205 N ASN A 14 4.174 0.143 7.017 1.00 0.00 N ATOM 206 CA ASN A 14 3.001 -0.616 6.498 1.00 0.00 C ATOM 207 C ASN A 14 3.475 -1.751 5.600 1.00 0.00 C ATOM 208 O ASN A 14 3.376 -2.912 5.939 1.00 0.00 O ATOM 209 CB ASN A 14 2.190 0.401 5.695 1.00 0.00 C ATOM 210 CG ASN A 14 1.792 1.567 6.602 1.00 0.00 C ATOM 211 OD1 ASN A 14 1.766 2.704 6.174 1.00 0.00 O ATOM 212 ND2 ASN A 14 1.477 1.331 7.847 1.00 0.00 N ATOM 0 H ASN A 14 4.420 0.976 6.482 1.00 0.00 H new ATOM 0 HA ASN A 14 2.409 -1.063 7.297 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.777 0.766 4.852 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.299 -0.073 5.282 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.209 2.101 8.460 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.499 0.377 8.206 1.00 0.00 H new ATOM 219 N LEU A 15 3.992 -1.412 4.461 1.00 0.00 N ATOM 220 CA LEU A 15 4.489 -2.458 3.527 1.00 0.00 C ATOM 221 C LEU A 15 5.246 -3.530 4.310 1.00 0.00 C ATOM 222 O LEU A 15 5.298 -4.676 3.921 1.00 0.00 O ATOM 223 CB LEU A 15 5.430 -1.727 2.569 1.00 0.00 C ATOM 224 CG LEU A 15 6.680 -1.278 3.326 1.00 0.00 C ATOM 225 CD1 LEU A 15 7.702 -2.415 3.345 1.00 0.00 C ATOM 226 CD2 LEU A 15 7.287 -0.060 2.627 1.00 0.00 C ATOM 0 H LEU A 15 4.094 -0.452 4.131 1.00 0.00 H new ATOM 0 HA LEU A 15 3.681 -2.957 2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.708 -2.383 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.925 -0.864 2.134 1.00 0.00 H new ATOM 0 HG LEU A 15 6.410 -1.015 4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.593 -2.094 3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.270 -3.284 3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.972 -2.678 2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.178 0.262 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.556 -0.324 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.559 0.751 2.613 1.00 0.00 H new ATOM 238 N GLY A 16 5.828 -3.165 5.419 1.00 0.00 N ATOM 239 CA GLY A 16 6.571 -4.166 6.232 1.00 0.00 C ATOM 240 C GLY A 16 5.571 -5.066 6.959 1.00 0.00 C ATOM 241 O GLY A 16 5.701 -6.275 6.972 1.00 0.00 O ATOM 0 H GLY A 16 5.821 -2.217 5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.218 -4.765 5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.215 -3.661 6.952 1.00 0.00 H new ATOM 245 N LYS A 17 4.567 -4.486 7.564 1.00 0.00 N ATOM 246 CA LYS A 17 3.558 -5.303 8.290 1.00 0.00 C ATOM 247 C LYS A 17 2.542 -5.882 7.309 1.00 0.00 C ATOM 248 O LYS A 17 2.148 -7.029 7.403 1.00 0.00 O ATOM 249 CB LYS A 17 2.885 -4.328 9.254 1.00 0.00 C ATOM 250 CG LYS A 17 1.598 -4.949 9.793 1.00 0.00 C ATOM 251 CD LYS A 17 0.402 -4.096 9.370 1.00 0.00 C ATOM 252 CE LYS A 17 -0.867 -4.625 10.044 1.00 0.00 C ATOM 253 NZ LYS A 17 -1.243 -3.575 11.031 1.00 0.00 N ATOM 0 H LYS A 17 4.405 -3.479 7.585 1.00 0.00 H new ATOM 0 HA LYS A 17 4.006 -6.148 8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.559 -4.091 10.077 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.663 -3.391 8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.486 -5.965 9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.643 -5.018 10.880 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.568 -3.055 9.648 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.289 -4.122 8.286 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.663 -4.787 9.317 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.685 -5.581 10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.106 -3.865 11.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.469 -3.448 11.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.417 -2.678 10.534 1.00 0.00 H new ATOM 267 N PHE A 18 2.121 -5.095 6.371 1.00 0.00 N ATOM 268 CA PHE A 18 1.129 -5.586 5.369 1.00 0.00 C ATOM 269 C PHE A 18 1.748 -6.690 4.525 1.00 0.00 C ATOM 270 O PHE A 18 1.097 -7.645 4.149 1.00 0.00 O ATOM 271 CB PHE A 18 0.788 -4.369 4.509 1.00 0.00 C ATOM 272 CG PHE A 18 -0.672 -4.027 4.679 1.00 0.00 C ATOM 273 CD1 PHE A 18 -1.286 -4.181 5.927 1.00 0.00 C ATOM 274 CD2 PHE A 18 -1.412 -3.556 3.588 1.00 0.00 C ATOM 275 CE1 PHE A 18 -2.640 -3.865 6.086 1.00 0.00 C ATOM 276 CE2 PHE A 18 -2.767 -3.239 3.746 1.00 0.00 C ATOM 277 CZ PHE A 18 -3.380 -3.393 4.995 1.00 0.00 C ATOM 0 H PHE A 18 2.418 -4.127 6.248 1.00 0.00 H new ATOM 0 HA PHE A 18 0.239 -6.005 5.837 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.408 -3.520 4.799 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.004 -4.578 3.461 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.714 -4.544 6.768 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.938 -3.437 2.625 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.114 -3.985 7.049 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.339 -2.876 2.905 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.425 -3.148 5.117 1.00 0.00 H new ATOM 287 N ALA A 19 3.005 -6.572 4.237 1.00 0.00 N ATOM 288 CA ALA A 19 3.682 -7.622 3.428 1.00 0.00 C ATOM 289 C ALA A 19 3.719 -8.925 4.222 1.00 0.00 C ATOM 290 O ALA A 19 3.016 -9.861 3.917 1.00 0.00 O ATOM 291 CB ALA A 19 5.097 -7.103 3.184 1.00 0.00 C ATOM 0 H ALA A 19 3.599 -5.794 4.525 1.00 0.00 H new ATOM 0 HA ALA A 19 3.166 -7.821 2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.654 -7.829 2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.050 -6.156 2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.599 -6.953 4.140 1.00 0.00 H new ATOM 297 N VAL A 20 4.533 -8.984 5.244 1.00 0.00 N ATOM 298 CA VAL A 20 4.621 -10.226 6.071 1.00 0.00 C ATOM 299 C VAL A 20 3.254 -10.911 6.170 1.00 0.00 C ATOM 300 O VAL A 20 3.159 -12.119 6.232 1.00 0.00 O ATOM 301 CB VAL A 20 5.083 -9.751 7.447 1.00 0.00 C ATOM 302 CG1 VAL A 20 4.076 -8.744 8.006 1.00 0.00 C ATOM 303 CG2 VAL A 20 5.180 -10.951 8.392 1.00 0.00 C ATOM 0 H VAL A 20 5.143 -8.223 5.543 1.00 0.00 H new ATOM 0 HA VAL A 20 5.303 -10.957 5.637 1.00 0.00 H new ATOM 0 HB VAL A 20 6.060 -9.275 7.358 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.407 -8.406 8.988 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.004 -7.890 7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.099 -9.218 8.096 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.510 -10.614 9.375 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.202 -11.425 8.480 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.897 -11.670 7.995 1.00 0.00 H new ATOM 313 N ASP A 21 2.192 -10.153 6.180 1.00 0.00 N ATOM 314 CA ASP A 21 0.838 -10.774 6.273 1.00 0.00 C ATOM 315 C ASP A 21 0.249 -11.000 4.881 1.00 0.00 C ATOM 316 O ASP A 21 0.177 -12.116 4.407 1.00 0.00 O ATOM 317 CB ASP A 21 -0.007 -9.772 7.060 1.00 0.00 C ATOM 318 CG ASP A 21 0.371 -9.835 8.541 1.00 0.00 C ATOM 319 OD1 ASP A 21 0.912 -10.848 8.951 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.113 -8.868 9.239 1.00 0.00 O ATOM 0 H ASP A 21 2.202 -9.134 6.128 1.00 0.00 H new ATOM 0 HA ASP A 21 0.871 -11.750 6.757 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.153 -8.765 6.676 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.066 -9.996 6.935 1.00 0.00 H new ATOM 325 N GLU A 22 -0.185 -9.962 4.221 1.00 0.00 N ATOM 326 CA GLU A 22 -0.776 -10.158 2.866 1.00 0.00 C ATOM 327 C GLU A 22 0.228 -10.851 1.948 1.00 0.00 C ATOM 328 O GLU A 22 -0.145 -11.505 0.999 1.00 0.00 O ATOM 329 CB GLU A 22 -1.141 -8.756 2.368 1.00 0.00 C ATOM 330 CG GLU A 22 -2.013 -8.056 3.411 1.00 0.00 C ATOM 331 CD GLU A 22 -3.475 -8.099 2.965 1.00 0.00 C ATOM 332 OE1 GLU A 22 -3.800 -8.942 2.146 1.00 0.00 O ATOM 333 OE2 GLU A 22 -4.247 -7.288 3.452 1.00 0.00 O ATOM 0 H GLU A 22 -0.157 -8.999 4.555 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.658 -10.799 2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.236 -8.176 2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.673 -8.823 1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.903 -8.544 4.379 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.690 -7.022 3.536 1.00 0.00 H new ATOM 340 N GLU A 23 1.491 -10.747 2.243 1.00 0.00 N ATOM 341 CA GLU A 23 2.512 -11.443 1.405 1.00 0.00 C ATOM 342 C GLU A 23 2.579 -12.905 1.834 1.00 0.00 C ATOM 343 O GLU A 23 2.246 -13.794 1.076 1.00 0.00 O ATOM 344 CB GLU A 23 3.842 -10.738 1.678 1.00 0.00 C ATOM 345 CG GLU A 23 4.868 -11.158 0.625 1.00 0.00 C ATOM 346 CD GLU A 23 6.106 -11.733 1.318 1.00 0.00 C ATOM 347 OE1 GLU A 23 5.993 -12.105 2.474 1.00 0.00 O ATOM 348 OE2 GLU A 23 7.144 -11.792 0.680 1.00 0.00 O ATOM 0 H GLU A 23 1.864 -10.211 3.027 1.00 0.00 H new ATOM 0 HA GLU A 23 2.273 -11.410 0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.704 -9.657 1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.203 -10.993 2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.435 -11.901 -0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.147 -10.301 0.012 1.00 0.00 H new ATOM 355 N ASN A 24 2.969 -13.173 3.055 1.00 0.00 N ATOM 356 CA ASN A 24 2.997 -14.589 3.496 1.00 0.00 C ATOM 357 C ASN A 24 1.627 -15.183 3.196 1.00 0.00 C ATOM 358 O ASN A 24 1.509 -16.240 2.610 1.00 0.00 O ATOM 359 CB ASN A 24 3.272 -14.552 4.998 1.00 0.00 C ATOM 360 CG ASN A 24 4.650 -13.933 5.246 1.00 0.00 C ATOM 361 OD1 ASN A 24 5.354 -13.599 4.315 1.00 0.00 O ATOM 362 ND2 ASN A 24 5.063 -13.762 6.472 1.00 0.00 N ATOM 0 H ASN A 24 3.262 -12.485 3.748 1.00 0.00 H new ATOM 0 HA ASN A 24 3.754 -15.192 2.995 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.503 -13.970 5.506 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.234 -15.560 5.411 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.978 -13.347 6.649 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.471 -14.043 7.254 1.00 0.00 H new ATOM 369 N LYS A 25 0.584 -14.480 3.554 1.00 0.00 N ATOM 370 CA LYS A 25 -0.776 -14.985 3.238 1.00 0.00 C ATOM 371 C LYS A 25 -0.847 -15.235 1.737 1.00 0.00 C ATOM 372 O LYS A 25 -1.221 -16.297 1.281 1.00 0.00 O ATOM 373 CB LYS A 25 -1.733 -13.867 3.655 1.00 0.00 C ATOM 374 CG LYS A 25 -3.152 -14.212 3.198 1.00 0.00 C ATOM 375 CD LYS A 25 -4.154 -13.757 4.261 1.00 0.00 C ATOM 376 CE LYS A 25 -4.159 -12.229 4.336 1.00 0.00 C ATOM 377 NZ LYS A 25 -4.624 -11.914 5.716 1.00 0.00 N ATOM 0 H LYS A 25 0.618 -13.587 4.046 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.026 -15.914 3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.709 -13.739 4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.418 -12.921 3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.368 -13.725 2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.242 -15.286 3.034 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.151 -14.123 4.017 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.889 -14.179 5.231 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.165 -11.821 4.151 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.824 -11.799 3.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.654 -10.882 5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.575 -12.309 5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.968 -12.330 6.407 1.00 0.00 H new ATOM 391 N ILE A 26 -0.458 -14.258 0.974 1.00 0.00 N ATOM 392 CA ILE A 26 -0.463 -14.419 -0.511 1.00 0.00 C ATOM 393 C ILE A 26 0.255 -15.722 -0.875 1.00 0.00 C ATOM 394 O ILE A 26 0.032 -16.304 -1.918 1.00 0.00 O ATOM 395 CB ILE A 26 0.296 -13.189 -1.057 1.00 0.00 C ATOM 396 CG1 ILE A 26 -0.706 -12.159 -1.587 1.00 0.00 C ATOM 397 CG2 ILE A 26 1.243 -13.583 -2.199 1.00 0.00 C ATOM 398 CD1 ILE A 26 -1.691 -12.841 -2.540 1.00 0.00 C ATOM 0 H ILE A 26 -0.135 -13.351 1.310 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.467 -14.474 -0.931 1.00 0.00 H new ATOM 0 HB ILE A 26 0.882 -12.767 -0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.245 -11.701 -0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.179 -11.358 -2.105 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.763 -12.697 -2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.972 -14.307 -1.834 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.668 -14.025 -3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.403 -12.106 -2.915 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.145 -13.277 -3.376 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.228 -13.626 -2.008 1.00 0.00 H new ATOM 410 N GLY A 27 1.125 -16.165 -0.019 1.00 0.00 N ATOM 411 CA GLY A 27 1.885 -17.416 -0.293 1.00 0.00 C ATOM 412 C GLY A 27 3.374 -17.080 -0.391 1.00 0.00 C ATOM 413 O GLY A 27 4.102 -17.649 -1.179 1.00 0.00 O ATOM 0 H GLY A 27 1.346 -15.712 0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.714 -18.142 0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.539 -17.871 -1.221 1.00 0.00 H new ATOM 417 N GLN A 28 3.826 -16.151 0.407 1.00 0.00 N ATOM 418 CA GLN A 28 5.264 -15.762 0.371 1.00 0.00 C ATOM 419 C GLN A 28 5.779 -15.545 1.796 1.00 0.00 C ATOM 420 O GLN A 28 5.997 -14.431 2.227 1.00 0.00 O ATOM 421 CB GLN A 28 5.297 -14.454 -0.420 1.00 0.00 C ATOM 422 CG GLN A 28 6.617 -14.351 -1.188 1.00 0.00 C ATOM 423 CD GLN A 28 6.354 -14.543 -2.683 1.00 0.00 C ATOM 424 OE1 GLN A 28 6.261 -13.584 -3.424 1.00 0.00 O ATOM 425 NE2 GLN A 28 6.227 -15.752 -3.160 1.00 0.00 N ATOM 0 H GLN A 28 3.258 -15.643 1.085 1.00 0.00 H new ATOM 0 HA GLN A 28 5.894 -16.526 -0.084 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.457 -14.416 -1.114 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.191 -13.606 0.256 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.078 -13.379 -1.011 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.317 -15.106 -0.831 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.305 -16.557 -2.538 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.050 -15.892 -4.155 1.00 0.00 H new ATOM 486 N LEU A 32 11.091 -11.690 5.705 1.00 0.00 N ATOM 487 CA LEU A 32 10.508 -10.367 6.075 1.00 0.00 C ATOM 488 C LEU A 32 10.550 -9.420 4.873 1.00 0.00 C ATOM 489 O LEU A 32 11.307 -9.615 3.944 1.00 0.00 O ATOM 490 CB LEU A 32 11.394 -9.839 7.208 1.00 0.00 C ATOM 491 CG LEU A 32 12.864 -10.150 6.908 1.00 0.00 C ATOM 492 CD1 LEU A 32 13.280 -9.453 5.611 1.00 0.00 C ATOM 493 CD2 LEU A 32 13.736 -9.648 8.059 1.00 0.00 C ATOM 0 HA LEU A 32 9.465 -10.447 6.382 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.256 -8.763 7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.102 -10.297 8.153 1.00 0.00 H new ATOM 0 HG LEU A 32 12.992 -11.227 6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.326 -9.675 5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.659 -9.811 4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.152 -8.376 5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 32 14.782 -9.869 7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 32 13.608 -8.571 8.170 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.441 -10.145 8.983 1.00 0.00 H new ATOM 505 N THR A 33 9.737 -8.400 4.881 1.00 0.00 N ATOM 506 CA THR A 33 9.728 -7.449 3.735 1.00 0.00 C ATOM 507 C THR A 33 10.162 -6.053 4.196 1.00 0.00 C ATOM 508 O THR A 33 9.443 -5.086 4.041 1.00 0.00 O ATOM 509 CB THR A 33 8.275 -7.434 3.257 1.00 0.00 C ATOM 510 OG1 THR A 33 7.440 -8.007 4.255 1.00 0.00 O ATOM 511 CG2 THR A 33 8.153 -8.241 1.964 1.00 0.00 C ATOM 0 H THR A 33 9.080 -8.184 5.630 1.00 0.00 H new ATOM 0 HA THR A 33 10.418 -7.743 2.944 1.00 0.00 H new ATOM 0 HB THR A 33 7.966 -6.405 3.072 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.104 -8.873 3.942 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.117 -8.230 1.624 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.791 -7.800 1.198 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.464 -9.270 2.146 1.00 0.00 H new ATOM 519 N PHE A 34 11.335 -5.941 4.758 1.00 0.00 N ATOM 520 CA PHE A 34 11.818 -4.608 5.225 1.00 0.00 C ATOM 521 C PHE A 34 13.347 -4.612 5.341 1.00 0.00 C ATOM 522 O PHE A 34 13.910 -5.251 6.208 1.00 0.00 O ATOM 523 CB PHE A 34 11.176 -4.412 6.599 1.00 0.00 C ATOM 524 CG PHE A 34 11.062 -2.935 6.893 1.00 0.00 C ATOM 525 CD1 PHE A 34 10.582 -2.061 5.911 1.00 0.00 C ATOM 526 CD2 PHE A 34 11.437 -2.440 8.148 1.00 0.00 C ATOM 527 CE1 PHE A 34 10.477 -0.691 6.183 1.00 0.00 C ATOM 528 CE2 PHE A 34 11.333 -1.070 8.419 1.00 0.00 C ATOM 529 CZ PHE A 34 10.853 -0.197 7.437 1.00 0.00 C ATOM 0 H PHE A 34 11.981 -6.715 4.914 1.00 0.00 H new ATOM 0 HA PHE A 34 11.553 -3.807 4.535 1.00 0.00 H new ATOM 0 HB2 PHE A 34 10.190 -4.876 6.621 1.00 0.00 H new ATOM 0 HB3 PHE A 34 11.776 -4.902 7.366 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.292 -2.443 4.943 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.806 -3.114 8.907 1.00 0.00 H new ATOM 0 HE1 PHE A 34 10.106 -0.016 5.425 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.623 -0.687 9.386 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.773 0.859 7.647 1.00 0.00 H new ATOM 539 N ASN A 35 14.022 -3.909 4.472 1.00 0.00 N ATOM 540 CA ASN A 35 15.514 -3.883 4.538 1.00 0.00 C ATOM 541 C ASN A 35 16.074 -2.571 3.971 1.00 0.00 C ATOM 542 O ASN A 35 16.595 -1.749 4.699 1.00 0.00 O ATOM 543 CB ASN A 35 15.968 -5.066 3.683 1.00 0.00 C ATOM 544 CG ASN A 35 17.221 -5.692 4.301 1.00 0.00 C ATOM 545 OD1 ASN A 35 17.239 -6.867 4.607 1.00 0.00 O ATOM 546 ND2 ASN A 35 18.277 -4.950 4.496 1.00 0.00 N ATOM 0 H ASN A 35 13.609 -3.354 3.723 1.00 0.00 H new ATOM 0 HA ASN A 35 15.870 -3.950 5.566 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.172 -5.808 3.618 1.00 0.00 H new ATOM 0 HB3 ASN A 35 16.178 -4.734 2.666 1.00 0.00 H new ATOM 0 HD21 ASN A 35 19.118 -5.357 4.906 1.00 0.00 H new ATOM 0 HD22 ASN A 35 18.261 -3.963 4.239 1.00 0.00 H new ATOM 553 N LYS A 36 15.997 -2.373 2.680 1.00 0.00 N ATOM 554 CA LYS A 36 16.558 -1.118 2.090 1.00 0.00 C ATOM 555 C LYS A 36 15.722 0.110 2.492 1.00 0.00 C ATOM 556 O LYS A 36 15.796 0.561 3.618 1.00 0.00 O ATOM 557 CB LYS A 36 16.551 -1.342 0.577 1.00 0.00 C ATOM 558 CG LYS A 36 17.884 -1.965 0.158 1.00 0.00 C ATOM 559 CD LYS A 36 17.816 -3.484 0.334 1.00 0.00 C ATOM 560 CE LYS A 36 19.228 -4.070 0.279 1.00 0.00 C ATOM 561 NZ LYS A 36 19.786 -3.860 1.644 1.00 0.00 N ATOM 0 H LYS A 36 15.574 -3.019 2.013 1.00 0.00 H new ATOM 0 HA LYS A 36 17.565 -0.913 2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 36 15.725 -1.997 0.297 1.00 0.00 H new ATOM 0 HB3 LYS A 36 16.398 -0.396 0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 36 18.102 -1.718 -0.881 1.00 0.00 H new ATOM 0 HG3 LYS A 36 18.695 -1.554 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.346 -3.729 1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.198 -3.924 -0.449 1.00 0.00 H new ATOM 0 HE2 LYS A 36 19.206 -5.129 0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 36 19.834 -3.570 -0.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.757 -3.495 1.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 19.197 -3.174 2.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 19.794 -4.764 2.159 1.00 0.00 H new ATOM 575 N VAL A 37 14.948 0.680 1.596 1.00 0.00 N ATOM 576 CA VAL A 37 14.162 1.894 1.985 1.00 0.00 C ATOM 577 C VAL A 37 12.983 2.154 1.034 1.00 0.00 C ATOM 578 O VAL A 37 12.993 1.759 -0.114 1.00 0.00 O ATOM 579 CB VAL A 37 15.177 3.036 1.892 1.00 0.00 C ATOM 580 CG1 VAL A 37 14.450 4.373 1.721 1.00 0.00 C ATOM 581 CG2 VAL A 37 16.015 3.072 3.169 1.00 0.00 C ATOM 0 H VAL A 37 14.828 0.365 0.633 1.00 0.00 H new ATOM 0 HA VAL A 37 13.719 1.784 2.975 1.00 0.00 H new ATOM 0 HB VAL A 37 15.824 2.871 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.181 5.179 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.854 4.349 0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.797 4.544 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.739 3.884 3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 37 15.363 3.233 4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.542 2.125 3.285 1.00 0.00 H new ATOM 591 N ILE A 38 11.990 2.863 1.522 1.00 0.00 N ATOM 592 CA ILE A 38 10.793 3.215 0.683 1.00 0.00 C ATOM 593 C ILE A 38 10.855 4.694 0.298 1.00 0.00 C ATOM 594 O ILE A 38 11.236 5.542 1.080 1.00 0.00 O ATOM 595 CB ILE A 38 9.543 2.902 1.548 1.00 0.00 C ATOM 596 CG1 ILE A 38 8.400 3.883 1.207 1.00 0.00 C ATOM 597 CG2 ILE A 38 9.862 2.983 3.048 1.00 0.00 C ATOM 598 CD1 ILE A 38 8.563 5.205 1.971 1.00 0.00 C ATOM 0 H ILE A 38 11.956 3.218 2.478 1.00 0.00 H new ATOM 0 HA ILE A 38 10.759 2.644 -0.245 1.00 0.00 H new ATOM 0 HB ILE A 38 9.230 1.883 1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.391 4.077 0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.441 3.430 1.457 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.964 2.758 3.624 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.641 2.261 3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.208 3.987 3.293 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.745 5.878 1.713 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.547 5.010 3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.512 5.667 1.700 1.00 0.00 H new ATOM 610 N ARG A 39 10.480 4.998 -0.911 1.00 0.00 N ATOM 611 CA ARG A 39 10.509 6.412 -1.375 1.00 0.00 C ATOM 612 C ARG A 39 9.471 6.624 -2.483 1.00 0.00 C ATOM 613 O ARG A 39 8.552 7.402 -2.317 1.00 0.00 O ATOM 614 CB ARG A 39 11.926 6.636 -1.903 1.00 0.00 C ATOM 615 CG ARG A 39 12.697 7.535 -0.934 1.00 0.00 C ATOM 616 CD ARG A 39 13.004 8.873 -1.612 1.00 0.00 C ATOM 617 NE ARG A 39 14.455 9.101 -1.374 1.00 0.00 N ATOM 618 CZ ARG A 39 14.942 10.312 -1.423 1.00 0.00 C ATOM 619 NH1 ARG A 39 14.968 11.049 -0.347 1.00 0.00 N ATOM 620 NH2 ARG A 39 15.403 10.784 -2.549 1.00 0.00 N ATOM 0 H ARG A 39 10.152 4.324 -1.603 1.00 0.00 H new ATOM 0 HA ARG A 39 10.266 7.114 -0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.439 5.681 -2.015 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.889 7.096 -2.891 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.111 7.700 -0.030 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.624 7.049 -0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.780 8.836 -2.678 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.403 9.677 -1.188 1.00 0.00 H new ATOM 0 HE ARG A 39 15.069 8.312 -1.173 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.608 10.680 0.533 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.348 11.995 -0.386 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.383 10.207 -3.390 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.783 11.730 -2.588 1.00 0.00 H new ATOM 634 N PRO A 40 9.635 5.925 -3.584 1.00 0.00 N ATOM 635 CA PRO A 40 8.675 6.060 -4.706 1.00 0.00 C ATOM 636 C PRO A 40 7.380 5.284 -4.440 1.00 0.00 C ATOM 637 O PRO A 40 6.812 4.672 -5.327 1.00 0.00 O ATOM 638 CB PRO A 40 9.422 5.470 -5.895 1.00 0.00 C ATOM 639 CG PRO A 40 10.412 4.516 -5.304 1.00 0.00 C ATOM 640 CD PRO A 40 10.712 4.973 -3.897 1.00 0.00 C ATOM 0 HA PRO A 40 8.367 7.094 -4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.740 4.959 -6.574 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.922 6.249 -6.472 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.010 3.503 -5.299 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.324 4.494 -5.901 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.717 4.135 -3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.692 5.446 -3.833 1.00 0.00 H new ATOM 648 N CYS A 41 6.899 5.313 -3.237 1.00 0.00 N ATOM 649 CA CYS A 41 5.631 4.594 -2.930 1.00 0.00 C ATOM 650 C CYS A 41 4.443 5.549 -3.067 1.00 0.00 C ATOM 651 O CYS A 41 4.554 6.735 -2.828 1.00 0.00 O ATOM 652 CB CYS A 41 5.783 4.123 -1.489 1.00 0.00 C ATOM 653 SG CYS A 41 7.012 2.801 -1.431 1.00 0.00 S ATOM 0 H CYS A 41 7.325 5.802 -2.449 1.00 0.00 H new ATOM 0 HA CYS A 41 5.449 3.761 -3.609 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.091 4.952 -0.852 1.00 0.00 H new ATOM 0 HB3 CYS A 41 4.827 3.766 -1.107 1.00 0.00 H new ATOM 0 HG CYS A 41 7.831 2.926 -2.433 1.00 0.00 H new ATOM 659 N MET A 42 3.308 5.046 -3.455 1.00 0.00 N ATOM 660 CA MET A 42 2.117 5.928 -3.607 1.00 0.00 C ATOM 661 C MET A 42 0.873 5.227 -3.060 1.00 0.00 C ATOM 662 O MET A 42 0.853 4.026 -2.886 1.00 0.00 O ATOM 663 CB MET A 42 1.986 6.162 -5.112 1.00 0.00 C ATOM 664 CG MET A 42 2.456 7.578 -5.451 1.00 0.00 C ATOM 665 SD MET A 42 1.941 7.996 -7.135 1.00 0.00 S ATOM 666 CE MET A 42 2.883 6.707 -7.986 1.00 0.00 C ATOM 0 H MET A 42 3.151 4.062 -3.674 1.00 0.00 H new ATOM 0 HA MET A 42 2.221 6.865 -3.059 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.581 5.430 -5.658 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.950 6.027 -5.423 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.036 8.292 -4.743 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.541 7.644 -5.364 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.616 6.699 -9.043 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.949 6.908 -7.883 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.652 5.737 -7.546 1.00 0.00 H new ATOM 676 N LYS A 43 -0.165 5.961 -2.782 1.00 0.00 N ATOM 677 CA LYS A 43 -1.396 5.319 -2.245 1.00 0.00 C ATOM 678 C LYS A 43 -2.634 6.129 -2.624 1.00 0.00 C ATOM 679 O LYS A 43 -2.678 7.330 -2.452 1.00 0.00 O ATOM 680 CB LYS A 43 -1.201 5.310 -0.729 1.00 0.00 C ATOM 681 CG LYS A 43 -2.544 5.066 -0.037 1.00 0.00 C ATOM 682 CD LYS A 43 -3.209 6.407 0.274 1.00 0.00 C ATOM 683 CE LYS A 43 -3.985 6.300 1.589 1.00 0.00 C ATOM 684 NZ LYS A 43 -4.918 7.461 1.578 1.00 0.00 N ATOM 0 H LYS A 43 -0.216 6.973 -2.902 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.547 4.317 -2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.490 4.533 -0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.780 6.260 -0.401 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.191 4.467 -0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.394 4.501 0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.455 7.191 0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.882 6.688 -0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.528 5.357 1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.315 6.340 2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.487 7.458 2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.372 8.345 1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.548 7.392 0.753 1.00 0.00 H new ATOM 698 N LYS A 44 -3.645 5.480 -3.132 1.00 0.00 N ATOM 699 CA LYS A 44 -4.880 6.218 -3.512 1.00 0.00 C ATOM 700 C LYS A 44 -6.109 5.324 -3.337 1.00 0.00 C ATOM 701 O LYS A 44 -6.147 4.198 -3.795 1.00 0.00 O ATOM 702 CB LYS A 44 -4.692 6.602 -4.982 1.00 0.00 C ATOM 703 CG LYS A 44 -4.106 5.423 -5.758 1.00 0.00 C ATOM 704 CD LYS A 44 -5.047 5.048 -6.905 1.00 0.00 C ATOM 705 CE LYS A 44 -4.726 5.907 -8.130 1.00 0.00 C ATOM 706 NZ LYS A 44 -6.052 6.257 -8.713 1.00 0.00 N ATOM 0 H LYS A 44 -3.669 4.474 -3.300 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.038 7.097 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.648 6.894 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.030 7.464 -5.060 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.123 5.685 -6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.967 4.570 -5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.937 3.992 -7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.084 5.199 -6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.169 6.801 -7.850 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.112 5.360 -8.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.915 6.847 -9.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.556 5.386 -8.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.612 6.783 -8.012 1.00 0.00 H new ATOM 720 N THR A 45 -7.115 5.817 -2.678 1.00 0.00 N ATOM 721 CA THR A 45 -8.340 4.997 -2.473 1.00 0.00 C ATOM 722 C THR A 45 -9.481 5.537 -3.337 1.00 0.00 C ATOM 723 O THR A 45 -9.527 6.706 -3.665 1.00 0.00 O ATOM 724 CB THR A 45 -8.664 5.137 -0.980 1.00 0.00 C ATOM 725 OG1 THR A 45 -7.869 4.222 -0.242 1.00 0.00 O ATOM 726 CG2 THR A 45 -10.144 4.835 -0.727 1.00 0.00 C ATOM 0 H THR A 45 -7.144 6.752 -2.272 1.00 0.00 H new ATOM 0 HA THR A 45 -8.200 3.954 -2.757 1.00 0.00 H new ATOM 0 HB THR A 45 -8.451 6.158 -0.665 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.042 4.037 -0.734 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.360 4.938 0.336 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.760 5.535 -1.292 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.367 3.817 -1.045 1.00 0.00 H new ATOM 734 N ILE A 46 -10.414 4.698 -3.685 1.00 0.00 N ATOM 735 CA ILE A 46 -11.563 5.156 -4.499 1.00 0.00 C ATOM 736 C ILE A 46 -12.821 4.881 -3.700 1.00 0.00 C ATOM 737 O ILE A 46 -13.809 4.398 -4.200 1.00 0.00 O ATOM 738 CB ILE A 46 -11.514 4.310 -5.764 1.00 0.00 C ATOM 739 CG1 ILE A 46 -11.780 2.844 -5.405 1.00 0.00 C ATOM 740 CG2 ILE A 46 -10.128 4.436 -6.393 1.00 0.00 C ATOM 741 CD1 ILE A 46 -12.300 2.107 -6.637 1.00 0.00 C ATOM 0 H ILE A 46 -10.427 3.709 -3.437 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.541 6.217 -4.749 1.00 0.00 H new ATOM 0 HB ILE A 46 -12.271 4.654 -6.469 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.864 2.374 -5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -12.508 2.782 -4.596 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -10.084 3.833 -7.300 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.935 5.480 -6.641 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.375 4.085 -5.687 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.490 1.064 -6.384 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.226 2.572 -6.976 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -11.556 2.158 -7.432 1.00 0.00 H new ATOM 898 N GLY A 55 -13.599 1.450 -2.305 1.00 0.00 N ATOM 899 CA GLY A 55 -12.453 0.501 -2.179 1.00 0.00 C ATOM 900 C GLY A 55 -11.156 1.237 -1.854 1.00 0.00 C ATOM 901 O GLY A 55 -11.159 2.373 -1.432 1.00 0.00 O ATOM 0 HA2 GLY A 55 -12.666 -0.228 -1.397 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.335 -0.055 -3.109 1.00 0.00 H new ATOM 905 N TYR A 56 -10.045 0.576 -2.043 1.00 0.00 N ATOM 906 CA TYR A 56 -8.729 1.208 -1.743 1.00 0.00 C ATOM 907 C TYR A 56 -7.606 0.457 -2.469 1.00 0.00 C ATOM 908 O TYR A 56 -7.246 -0.643 -2.103 1.00 0.00 O ATOM 909 CB TYR A 56 -8.570 1.068 -0.227 1.00 0.00 C ATOM 910 CG TYR A 56 -7.137 1.343 0.162 1.00 0.00 C ATOM 911 CD1 TYR A 56 -6.343 2.180 -0.632 1.00 0.00 C ATOM 912 CD2 TYR A 56 -6.602 0.760 1.316 1.00 0.00 C ATOM 913 CE1 TYR A 56 -5.014 2.434 -0.271 1.00 0.00 C ATOM 914 CE2 TYR A 56 -5.273 1.013 1.677 1.00 0.00 C ATOM 915 CZ TYR A 56 -4.479 1.850 0.883 1.00 0.00 C ATOM 916 OH TYR A 56 -3.169 2.100 1.239 1.00 0.00 O ATOM 0 H TYR A 56 -9.993 -0.380 -2.394 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.681 2.247 -2.069 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -9.236 1.764 0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.856 0.064 0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.756 2.630 -1.523 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -7.214 0.115 1.928 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.402 3.080 -0.883 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.860 0.563 2.568 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.957 1.619 2.066 1.00 0.00 H new ATOM 926 N GLU A 57 -7.046 1.047 -3.491 1.00 0.00 N ATOM 927 CA GLU A 57 -5.941 0.369 -4.232 1.00 0.00 C ATOM 928 C GLU A 57 -4.669 1.207 -4.116 1.00 0.00 C ATOM 929 O GLU A 57 -4.722 2.420 -4.113 1.00 0.00 O ATOM 930 CB GLU A 57 -6.414 0.303 -5.685 1.00 0.00 C ATOM 931 CG GLU A 57 -6.937 1.675 -6.115 1.00 0.00 C ATOM 932 CD GLU A 57 -7.017 1.736 -7.641 1.00 0.00 C ATOM 933 OE1 GLU A 57 -7.331 0.720 -8.239 1.00 0.00 O ATOM 934 OE2 GLU A 57 -6.764 2.798 -8.186 1.00 0.00 O ATOM 0 H GLU A 57 -7.305 1.968 -3.845 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.717 -0.624 -3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.592 -0.004 -6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.199 -0.446 -5.789 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.921 1.853 -5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.278 2.460 -5.743 1.00 0.00 H new ATOM 941 N TYR A 58 -3.524 0.596 -3.998 1.00 0.00 N ATOM 942 CA TYR A 58 -2.290 1.434 -3.858 1.00 0.00 C ATOM 943 C TYR A 58 -1.065 0.835 -4.555 1.00 0.00 C ATOM 944 O TYR A 58 -1.054 -0.298 -4.992 1.00 0.00 O ATOM 945 CB TYR A 58 -2.073 1.558 -2.339 1.00 0.00 C ATOM 946 CG TYR A 58 -0.833 0.810 -1.860 1.00 0.00 C ATOM 947 CD1 TYR A 58 -0.642 -0.542 -2.179 1.00 0.00 C ATOM 948 CD2 TYR A 58 0.100 1.466 -1.049 1.00 0.00 C ATOM 949 CE1 TYR A 58 0.476 -1.224 -1.694 1.00 0.00 C ATOM 950 CE2 TYR A 58 1.210 0.779 -0.557 1.00 0.00 C ATOM 951 CZ TYR A 58 1.399 -0.567 -0.879 1.00 0.00 C ATOM 952 OH TYR A 58 2.497 -1.247 -0.389 1.00 0.00 O ATOM 0 H TYR A 58 -3.384 -0.414 -3.992 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.420 2.401 -4.345 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.982 2.611 -2.074 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.949 1.172 -1.818 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.360 -1.056 -2.800 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.040 2.508 -0.803 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.627 -2.262 -1.950 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.924 1.288 0.073 1.00 0.00 H new ATOM 0 HH TYR A 58 2.592 -2.100 -0.863 1.00 0.00 H new ATOM 962 N GLN A 59 -0.027 1.623 -4.618 1.00 0.00 N ATOM 963 CA GLN A 59 1.250 1.184 -5.236 1.00 0.00 C ATOM 964 C GLN A 59 2.396 1.615 -4.315 1.00 0.00 C ATOM 965 O GLN A 59 2.478 2.756 -3.914 1.00 0.00 O ATOM 966 CB GLN A 59 1.315 1.923 -6.576 1.00 0.00 C ATOM 967 CG GLN A 59 1.315 3.432 -6.327 1.00 0.00 C ATOM 968 CD GLN A 59 0.287 4.101 -7.241 1.00 0.00 C ATOM 969 OE1 GLN A 59 0.633 4.634 -8.276 1.00 0.00 O ATOM 970 NE2 GLN A 59 -0.973 4.096 -6.900 1.00 0.00 N ATOM 0 H GLN A 59 -0.014 2.577 -4.257 1.00 0.00 H new ATOM 0 HA GLN A 59 1.321 0.106 -5.381 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.214 1.633 -7.120 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.464 1.646 -7.198 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.078 3.639 -5.283 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.307 3.842 -6.516 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.264 3.649 -6.031 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.666 4.540 -7.503 1.00 0.00 H new ATOM 979 N LEU A 60 3.272 0.722 -3.964 1.00 0.00 N ATOM 980 CA LEU A 60 4.390 1.097 -3.057 1.00 0.00 C ATOM 981 C LEU A 60 5.696 0.650 -3.671 1.00 0.00 C ATOM 982 O LEU A 60 6.192 -0.416 -3.383 1.00 0.00 O ATOM 983 CB LEU A 60 4.112 0.345 -1.747 1.00 0.00 C ATOM 984 CG LEU A 60 5.392 0.185 -0.906 1.00 0.00 C ATOM 985 CD1 LEU A 60 5.309 1.099 0.319 1.00 0.00 C ATOM 986 CD2 LEU A 60 5.505 -1.265 -0.436 1.00 0.00 C ATOM 0 H LEU A 60 3.264 -0.253 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 60 4.460 2.172 -2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.361 0.884 -1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.697 -0.638 -1.971 1.00 0.00 H new ATOM 0 HG LEU A 60 6.261 0.450 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.213 0.989 0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.213 2.135 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.441 0.825 0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.410 -1.385 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.635 -1.520 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.551 -1.926 -1.302 1.00 0.00 H new ATOM 998 N TYR A 61 6.260 1.451 -4.515 1.00 0.00 N ATOM 999 CA TYR A 61 7.539 1.059 -5.133 1.00 0.00 C ATOM 1000 C TYR A 61 8.648 1.288 -4.106 1.00 0.00 C ATOM 1001 O TYR A 61 8.970 2.409 -3.766 1.00 0.00 O ATOM 1002 CB TYR A 61 7.656 1.972 -6.341 1.00 0.00 C ATOM 1003 CG TYR A 61 8.801 1.523 -7.220 1.00 0.00 C ATOM 1004 CD1 TYR A 61 10.103 1.462 -6.707 1.00 0.00 C ATOM 1005 CD2 TYR A 61 8.558 1.166 -8.552 1.00 0.00 C ATOM 1006 CE1 TYR A 61 11.159 1.044 -7.525 1.00 0.00 C ATOM 1007 CE2 TYR A 61 9.614 0.748 -9.370 1.00 0.00 C ATOM 1008 CZ TYR A 61 10.916 0.686 -8.856 1.00 0.00 C ATOM 1009 OH TYR A 61 11.957 0.274 -9.662 1.00 0.00 O ATOM 0 H TYR A 61 5.891 2.358 -4.802 1.00 0.00 H new ATOM 0 HA TYR A 61 7.606 0.014 -5.437 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.725 1.960 -6.908 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.818 3.000 -6.016 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.292 1.738 -5.680 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.555 1.213 -8.949 1.00 0.00 H new ATOM 0 HE1 TYR A 61 12.163 0.998 -7.129 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.425 0.473 -10.397 1.00 0.00 H new ATOM 0 HH TYR A 61 11.615 0.062 -10.555 1.00 0.00 H new ATOM 1019 N VAL A 62 9.206 0.233 -3.577 1.00 0.00 N ATOM 1020 CA VAL A 62 10.257 0.392 -2.535 1.00 0.00 C ATOM 1021 C VAL A 62 11.179 -0.817 -2.549 1.00 0.00 C ATOM 1022 O VAL A 62 10.936 -1.789 -3.235 1.00 0.00 O ATOM 1023 CB VAL A 62 9.482 0.453 -1.206 1.00 0.00 C ATOM 1024 CG1 VAL A 62 8.350 -0.572 -1.218 1.00 0.00 C ATOM 1025 CG2 VAL A 62 10.406 0.130 -0.032 1.00 0.00 C ATOM 0 H VAL A 62 8.979 -0.731 -3.822 1.00 0.00 H new ATOM 0 HA VAL A 62 10.875 1.276 -2.693 1.00 0.00 H new ATOM 0 HB VAL A 62 9.081 1.460 -1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.806 -0.524 -0.275 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.670 -0.353 -2.041 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.766 -1.571 -1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 62 9.841 0.178 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 62 10.816 -0.872 -0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 62 11.220 0.854 -0.000 1.00 0.00 H new ATOM 1035 N TYR A 63 12.224 -0.777 -1.782 1.00 0.00 N ATOM 1036 CA TYR A 63 13.137 -1.945 -1.744 1.00 0.00 C ATOM 1037 C TYR A 63 13.373 -2.367 -0.301 1.00 0.00 C ATOM 1038 O TYR A 63 13.736 -1.569 0.541 1.00 0.00 O ATOM 1039 CB TYR A 63 14.441 -1.488 -2.389 1.00 0.00 C ATOM 1040 CG TYR A 63 15.399 -2.658 -2.475 1.00 0.00 C ATOM 1041 CD1 TYR A 63 14.927 -3.979 -2.374 1.00 0.00 C ATOM 1042 CD2 TYR A 63 16.763 -2.422 -2.661 1.00 0.00 C ATOM 1043 CE1 TYR A 63 15.822 -5.051 -2.460 1.00 0.00 C ATOM 1044 CE2 TYR A 63 17.658 -3.495 -2.746 1.00 0.00 C ATOM 1045 CZ TYR A 63 17.188 -4.809 -2.646 1.00 0.00 C ATOM 1046 OH TYR A 63 18.071 -5.866 -2.733 1.00 0.00 O ATOM 0 H TYR A 63 12.485 0.007 -1.184 1.00 0.00 H new ATOM 0 HA TYR A 63 12.720 -2.802 -2.273 1.00 0.00 H new ATOM 0 HB2 TYR A 63 14.247 -1.090 -3.385 1.00 0.00 H new ATOM 0 HB3 TYR A 63 14.885 -0.682 -1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 63 13.873 -4.166 -2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 63 17.128 -1.409 -2.739 1.00 0.00 H new ATOM 0 HE1 TYR A 63 15.459 -6.065 -2.383 1.00 0.00 H new ATOM 0 HE2 TYR A 63 18.712 -3.308 -2.889 1.00 0.00 H new ATOM 0 HH TYR A 63 18.980 -5.523 -2.863 1.00 0.00 H new ATOM 1056 N ALA A 64 13.160 -3.612 -0.008 1.00 0.00 N ATOM 1057 CA ALA A 64 13.363 -4.088 1.380 1.00 0.00 C ATOM 1058 C ALA A 64 14.286 -5.311 1.381 1.00 0.00 C ATOM 1059 O ALA A 64 15.370 -5.274 0.835 1.00 0.00 O ATOM 1060 CB ALA A 64 11.963 -4.451 1.854 1.00 0.00 C ATOM 0 H ALA A 64 12.853 -4.323 -0.672 1.00 0.00 H new ATOM 0 HA ALA A 64 13.833 -3.348 2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 64 12.010 -4.817 2.880 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.324 -3.569 1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.551 -5.228 1.210 1.00 0.00 H new ATOM 1066 N SER A 65 13.868 -6.394 1.982 1.00 0.00 N ATOM 1067 CA SER A 65 14.725 -7.616 2.004 1.00 0.00 C ATOM 1068 C SER A 65 14.298 -8.570 0.883 1.00 0.00 C ATOM 1069 O SER A 65 15.119 -9.175 0.222 1.00 0.00 O ATOM 1070 CB SER A 65 14.479 -8.254 3.371 1.00 0.00 C ATOM 1071 OG SER A 65 13.837 -7.314 4.223 1.00 0.00 O ATOM 0 H SER A 65 12.971 -6.485 2.458 1.00 0.00 H new ATOM 0 HA SER A 65 15.779 -7.386 1.850 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.860 -9.145 3.263 1.00 0.00 H new ATOM 0 HB3 SER A 65 15.424 -8.574 3.811 1.00 0.00 H new ATOM 0 HG SER A 65 14.437 -7.078 4.961 1.00 0.00 H new ATOM 1077 N ASP A 66 13.017 -8.702 0.663 1.00 0.00 N ATOM 1078 CA ASP A 66 12.529 -9.610 -0.418 1.00 0.00 C ATOM 1079 C ASP A 66 11.532 -8.866 -1.312 1.00 0.00 C ATOM 1080 O ASP A 66 10.608 -9.445 -1.848 1.00 0.00 O ATOM 1081 CB ASP A 66 11.836 -10.762 0.312 1.00 0.00 C ATOM 1082 CG ASP A 66 12.319 -12.095 -0.262 1.00 0.00 C ATOM 1083 OD1 ASP A 66 13.518 -12.243 -0.436 1.00 0.00 O ATOM 1084 OD2 ASP A 66 11.484 -12.945 -0.519 1.00 0.00 O ATOM 0 H ASP A 66 12.286 -8.220 1.186 1.00 0.00 H new ATOM 0 HA ASP A 66 13.336 -9.964 -1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.053 -10.713 1.379 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.755 -10.678 0.203 1.00 0.00 H new ATOM 1089 N LYS A 67 11.716 -7.585 -1.471 1.00 0.00 N ATOM 1090 CA LYS A 67 10.786 -6.788 -2.322 1.00 0.00 C ATOM 1091 C LYS A 67 11.578 -5.708 -3.066 1.00 0.00 C ATOM 1092 O LYS A 67 11.793 -4.620 -2.573 1.00 0.00 O ATOM 1093 CB LYS A 67 9.792 -6.184 -1.330 1.00 0.00 C ATOM 1094 CG LYS A 67 9.283 -4.825 -1.821 1.00 0.00 C ATOM 1095 CD LYS A 67 9.959 -3.716 -1.013 1.00 0.00 C ATOM 1096 CE LYS A 67 9.105 -3.376 0.212 1.00 0.00 C ATOM 1097 NZ LYS A 67 8.857 -4.678 0.892 1.00 0.00 N ATOM 0 H LYS A 67 12.475 -7.052 -1.046 1.00 0.00 H new ATOM 0 HA LYS A 67 10.276 -7.376 -3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.951 -6.864 -1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.269 -6.068 -0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.500 -4.703 -2.882 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.200 -4.766 -1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.952 -4.036 -0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.091 -2.830 -1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.623 -2.680 0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.169 -2.901 -0.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.442 -4.506 1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.200 -5.248 0.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.756 -5.190 1.000 1.00 0.00 H new ATOM 1111 N LEU A 68 12.015 -6.020 -4.247 1.00 0.00 N ATOM 1112 CA LEU A 68 12.807 -5.040 -5.050 1.00 0.00 C ATOM 1113 C LEU A 68 11.930 -4.369 -6.102 1.00 0.00 C ATOM 1114 O LEU A 68 12.161 -4.519 -7.285 1.00 0.00 O ATOM 1115 CB LEU A 68 13.881 -5.884 -5.735 1.00 0.00 C ATOM 1116 CG LEU A 68 14.493 -6.849 -4.721 1.00 0.00 C ATOM 1117 CD1 LEU A 68 13.914 -8.248 -4.934 1.00 0.00 C ATOM 1118 CD2 LEU A 68 16.011 -6.889 -4.905 1.00 0.00 C ATOM 0 H LEU A 68 11.859 -6.920 -4.701 1.00 0.00 H new ATOM 0 HA LEU A 68 13.223 -4.246 -4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.447 -6.440 -6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.654 -5.239 -6.152 1.00 0.00 H new ATOM 0 HG LEU A 68 14.260 -6.511 -3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 68 14.351 -8.937 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.833 -8.219 -4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.145 -8.588 -5.944 1.00 0.00 H new ATOM 0 HD21 LEU A 68 16.447 -7.578 -4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 68 16.246 -7.226 -5.914 1.00 0.00 H new ATOM 0 HD23 LEU A 68 16.423 -5.892 -4.751 1.00 0.00 H new ATOM 1130 N PHE A 69 10.933 -3.626 -5.699 1.00 0.00 N ATOM 1131 CA PHE A 69 10.064 -2.956 -6.711 1.00 0.00 C ATOM 1132 C PHE A 69 8.814 -2.372 -6.055 1.00 0.00 C ATOM 1133 O PHE A 69 8.897 -1.397 -5.347 1.00 0.00 O ATOM 1134 CB PHE A 69 9.686 -4.036 -7.723 1.00 0.00 C ATOM 1135 CG PHE A 69 9.453 -5.365 -7.023 1.00 0.00 C ATOM 1136 CD1 PHE A 69 8.968 -5.404 -5.706 1.00 0.00 C ATOM 1137 CD2 PHE A 69 9.729 -6.563 -7.696 1.00 0.00 C ATOM 1138 CE1 PHE A 69 8.760 -6.634 -5.072 1.00 0.00 C ATOM 1139 CE2 PHE A 69 9.520 -7.792 -7.059 1.00 0.00 C ATOM 1140 CZ PHE A 69 9.037 -7.827 -5.747 1.00 0.00 C ATOM 0 H PHE A 69 10.685 -3.455 -4.725 1.00 0.00 H new ATOM 0 HA PHE A 69 10.583 -2.125 -7.189 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.786 -3.739 -8.261 1.00 0.00 H new ATOM 0 HB3 PHE A 69 10.479 -4.142 -8.463 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.755 -4.484 -5.182 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.104 -6.538 -8.709 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.385 -6.662 -4.060 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.732 -8.713 -7.581 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.878 -8.775 -5.255 1.00 0.00 H new ATOM 1150 N ARG A 70 7.653 -2.942 -6.285 1.00 0.00 N ATOM 1151 CA ARG A 70 6.424 -2.367 -5.667 1.00 0.00 C ATOM 1152 C ARG A 70 5.576 -3.412 -4.962 1.00 0.00 C ATOM 1153 O ARG A 70 5.358 -4.506 -5.453 1.00 0.00 O ATOM 1154 CB ARG A 70 5.602 -1.802 -6.822 1.00 0.00 C ATOM 1155 CG ARG A 70 4.406 -0.997 -6.266 1.00 0.00 C ATOM 1156 CD ARG A 70 4.074 0.136 -7.237 1.00 0.00 C ATOM 1157 NE ARG A 70 2.820 -0.298 -7.916 1.00 0.00 N ATOM 1158 CZ ARG A 70 2.875 -0.839 -9.102 1.00 0.00 C ATOM 1159 NH1 ARG A 70 3.686 -0.355 -10.002 1.00 0.00 N ATOM 1160 NH2 ARG A 70 2.121 -1.864 -9.388 1.00 0.00 N ATOM 0 H ARG A 70 7.508 -3.768 -6.866 1.00 0.00 H new ATOM 0 HA ARG A 70 6.711 -1.626 -4.921 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.226 -1.161 -7.445 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.244 -2.613 -7.456 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.541 -1.648 -6.137 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.649 -0.592 -5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.932 1.079 -6.710 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.879 0.290 -7.955 1.00 0.00 H new ATOM 0 HE ARG A 70 1.920 -0.172 -7.454 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.277 0.446 -9.778 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.729 -0.778 -10.929 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.488 -2.243 -8.684 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.165 -2.286 -10.315 1.00 0.00 H new ATOM 1174 N ALA A 71 5.028 -3.027 -3.853 1.00 0.00 N ATOM 1175 CA ALA A 71 4.099 -3.911 -3.121 1.00 0.00 C ATOM 1176 C ALA A 71 2.716 -3.308 -3.335 1.00 0.00 C ATOM 1177 O ALA A 71 2.456 -2.200 -2.916 1.00 0.00 O ATOM 1178 CB ALA A 71 4.521 -3.831 -1.652 1.00 0.00 C ATOM 0 H ALA A 71 5.189 -2.119 -3.416 1.00 0.00 H new ATOM 0 HA ALA A 71 4.102 -4.952 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.870 -4.466 -1.051 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.552 -4.169 -1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.442 -2.800 -1.306 1.00 0.00 H new ATOM 1184 N ASP A 72 1.849 -3.980 -4.033 1.00 0.00 N ATOM 1185 CA ASP A 72 0.513 -3.377 -4.309 1.00 0.00 C ATOM 1186 C ASP A 72 -0.516 -3.802 -3.262 1.00 0.00 C ATOM 1187 O ASP A 72 -0.289 -4.694 -2.474 1.00 0.00 O ATOM 1188 CB ASP A 72 0.120 -3.908 -5.687 1.00 0.00 C ATOM 1189 CG ASP A 72 -0.843 -2.927 -6.357 1.00 0.00 C ATOM 1190 OD1 ASP A 72 -0.367 -1.998 -6.989 1.00 0.00 O ATOM 1191 OD2 ASP A 72 -2.041 -3.120 -6.228 1.00 0.00 O ATOM 0 H ASP A 72 2.001 -4.910 -4.422 1.00 0.00 H new ATOM 0 HA ASP A 72 0.550 -2.288 -4.276 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.009 -4.040 -6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.350 -4.887 -5.591 1.00 0.00 H new ATOM 1196 N ILE A 73 -1.654 -3.163 -3.266 1.00 0.00 N ATOM 1197 CA ILE A 73 -2.723 -3.514 -2.291 1.00 0.00 C ATOM 1198 C ILE A 73 -4.072 -3.022 -2.824 1.00 0.00 C ATOM 1199 O ILE A 73 -4.287 -1.842 -3.014 1.00 0.00 O ATOM 1200 CB ILE A 73 -2.333 -2.817 -0.972 1.00 0.00 C ATOM 1201 CG1 ILE A 73 -2.818 -3.666 0.206 1.00 0.00 C ATOM 1202 CG2 ILE A 73 -2.967 -1.423 -0.871 1.00 0.00 C ATOM 1203 CD1 ILE A 73 -2.070 -4.999 0.219 1.00 0.00 C ATOM 0 H ILE A 73 -1.890 -2.407 -3.909 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.819 -4.588 -2.134 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.249 -2.709 -0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.652 -3.135 1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.891 -3.840 0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.673 -0.957 0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.626 -0.807 -1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.053 -1.514 -0.908 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.416 -5.602 1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.259 -5.531 -0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.001 -4.815 0.321 1.00 0.00 H new ATOM 1215 N SER A 74 -4.977 -3.915 -3.084 1.00 0.00 N ATOM 1216 CA SER A 74 -6.297 -3.484 -3.615 1.00 0.00 C ATOM 1217 C SER A 74 -7.421 -4.061 -2.745 1.00 0.00 C ATOM 1218 O SER A 74 -7.432 -5.238 -2.440 1.00 0.00 O ATOM 1219 CB SER A 74 -6.362 -4.069 -5.025 1.00 0.00 C ATOM 1220 OG SER A 74 -6.593 -3.022 -5.958 1.00 0.00 O ATOM 0 H SER A 74 -4.864 -4.920 -2.954 1.00 0.00 H new ATOM 0 HA SER A 74 -6.413 -2.400 -3.617 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.430 -4.583 -5.261 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.159 -4.810 -5.087 1.00 0.00 H new ATOM 0 HG SER A 74 -6.633 -3.394 -6.864 1.00 0.00 H new ATOM 1226 N GLU A 75 -8.364 -3.254 -2.340 1.00 0.00 N ATOM 1227 CA GLU A 75 -9.471 -3.783 -1.486 1.00 0.00 C ATOM 1228 C GLU A 75 -10.762 -2.999 -1.726 1.00 0.00 C ATOM 1229 O GLU A 75 -10.771 -1.784 -1.722 1.00 0.00 O ATOM 1230 CB GLU A 75 -8.996 -3.582 -0.043 1.00 0.00 C ATOM 1231 CG GLU A 75 -7.509 -3.930 0.072 1.00 0.00 C ATOM 1232 CD GLU A 75 -7.106 -3.965 1.547 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -7.258 -2.949 2.206 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -6.653 -5.006 1.993 1.00 0.00 O ATOM 0 H GLU A 75 -8.418 -2.259 -2.560 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.687 -4.828 -1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.161 -2.549 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.578 -4.210 0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.314 -4.897 -0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.910 -3.193 -0.462 1.00 0.00 H new ATOM 1241 N ASP A 76 -11.858 -3.683 -1.925 1.00 0.00 N ATOM 1242 CA ASP A 76 -13.147 -2.960 -2.153 1.00 0.00 C ATOM 1243 C ASP A 76 -13.669 -2.380 -0.827 1.00 0.00 C ATOM 1244 O ASP A 76 -12.902 -2.108 0.076 1.00 0.00 O ATOM 1245 CB ASP A 76 -14.089 -4.024 -2.709 1.00 0.00 C ATOM 1246 CG ASP A 76 -13.817 -4.211 -4.202 1.00 0.00 C ATOM 1247 OD1 ASP A 76 -12.682 -4.499 -4.546 1.00 0.00 O ATOM 1248 OD2 ASP A 76 -14.748 -4.065 -4.977 1.00 0.00 O ATOM 0 H ASP A 76 -11.918 -4.701 -1.940 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.048 -2.116 -2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -13.944 -4.966 -2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -15.126 -3.726 -2.551 1.00 0.00 H new ATOM 1365 N LYS A 83 -9.461 -8.213 -0.604 1.00 0.00 N ATOM 1366 CA LYS A 83 -8.173 -7.612 -0.160 1.00 0.00 C ATOM 1367 C LYS A 83 -7.027 -8.391 -0.812 1.00 0.00 C ATOM 1368 O LYS A 83 -7.087 -9.599 -0.933 1.00 0.00 O ATOM 1369 CB LYS A 83 -8.151 -7.782 1.361 1.00 0.00 C ATOM 1370 CG LYS A 83 -9.517 -7.399 1.934 1.00 0.00 C ATOM 1371 CD LYS A 83 -9.480 -7.504 3.460 1.00 0.00 C ATOM 1372 CE LYS A 83 -10.794 -8.109 3.961 1.00 0.00 C ATOM 1373 NZ LYS A 83 -10.559 -8.399 5.403 1.00 0.00 N ATOM 0 HA LYS A 83 -8.068 -6.563 -0.437 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.912 -8.814 1.619 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.373 -7.156 1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.776 -6.383 1.635 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.288 -8.056 1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.639 -8.124 3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.330 -6.518 3.900 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.624 -7.415 3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.046 -9.016 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.417 -8.817 5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.768 -9.067 5.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.328 -7.516 5.902 1.00 0.00 H new ATOM 1387 N LEU A 84 -5.996 -7.727 -1.257 1.00 0.00 N ATOM 1388 CA LEU A 84 -4.886 -8.469 -1.916 1.00 0.00 C ATOM 1389 C LEU A 84 -3.686 -7.552 -2.156 1.00 0.00 C ATOM 1390 O LEU A 84 -3.829 -6.359 -2.339 1.00 0.00 O ATOM 1391 CB LEU A 84 -5.478 -8.933 -3.251 1.00 0.00 C ATOM 1392 CG LEU A 84 -4.729 -10.165 -3.762 1.00 0.00 C ATOM 1393 CD1 LEU A 84 -3.313 -9.767 -4.182 1.00 0.00 C ATOM 1394 CD2 LEU A 84 -4.655 -11.221 -2.656 1.00 0.00 C ATOM 0 H LEU A 84 -5.875 -6.716 -1.194 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.525 -9.297 -1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.535 -9.167 -3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.414 -8.129 -3.984 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.260 -10.577 -4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.781 -10.646 -4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.365 -9.020 -4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.783 -9.351 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.121 -12.097 -3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.128 -10.810 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.664 -11.509 -2.360 1.00 0.00 H new ATOM 1406 N LEU A 85 -2.506 -8.105 -2.171 1.00 0.00 N ATOM 1407 CA LEU A 85 -1.292 -7.278 -2.416 1.00 0.00 C ATOM 1408 C LEU A 85 -0.366 -8.006 -3.400 1.00 0.00 C ATOM 1409 O LEU A 85 -0.632 -9.122 -3.799 1.00 0.00 O ATOM 1410 CB LEU A 85 -0.644 -7.102 -1.031 1.00 0.00 C ATOM 1411 CG LEU A 85 0.492 -8.106 -0.824 1.00 0.00 C ATOM 1412 CD1 LEU A 85 1.221 -7.778 0.478 1.00 0.00 C ATOM 1413 CD2 LEU A 85 -0.084 -9.523 -0.752 1.00 0.00 C ATOM 0 H LEU A 85 -2.329 -9.099 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.513 -6.309 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.259 -6.087 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.397 -7.234 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 85 1.192 -8.046 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.032 -8.490 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.630 -6.769 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.522 -7.840 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.726 -10.238 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.783 -9.590 0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.605 -9.752 -1.682 1.00 0.00 H new ATOM 1425 N ARG A 86 0.714 -7.390 -3.795 1.00 0.00 N ATOM 1426 CA ARG A 86 1.636 -8.065 -4.755 1.00 0.00 C ATOM 1427 C ARG A 86 3.088 -7.649 -4.504 1.00 0.00 C ATOM 1428 O ARG A 86 3.380 -6.847 -3.641 1.00 0.00 O ATOM 1429 CB ARG A 86 1.181 -7.590 -6.136 1.00 0.00 C ATOM 1430 CG ARG A 86 -0.338 -7.729 -6.251 1.00 0.00 C ATOM 1431 CD ARG A 86 -0.750 -7.638 -7.722 1.00 0.00 C ATOM 1432 NE ARG A 86 -0.984 -6.188 -7.967 1.00 0.00 N ATOM 1433 CZ ARG A 86 -1.283 -5.768 -9.167 1.00 0.00 C ATOM 1434 NH1 ARG A 86 -1.120 -6.557 -10.193 1.00 0.00 N ATOM 1435 NH2 ARG A 86 -1.744 -4.560 -9.339 1.00 0.00 N ATOM 0 H ARG A 86 0.998 -6.456 -3.498 1.00 0.00 H new ATOM 0 HA ARG A 86 1.601 -9.150 -4.655 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.474 -6.551 -6.289 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.670 -8.177 -6.913 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.659 -8.682 -5.831 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.830 -6.945 -5.676 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.030 -8.028 -8.375 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.650 -8.222 -7.917 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.911 -5.523 -7.197 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.759 -7.501 -10.058 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.353 -6.229 -11.130 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.871 -3.943 -8.536 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.978 -4.232 -10.276 1.00 0.00 H new ATOM 1449 N PHE A 87 3.996 -8.194 -5.267 1.00 0.00 N ATOM 1450 CA PHE A 87 5.440 -7.847 -5.110 1.00 0.00 C ATOM 1451 C PHE A 87 6.162 -8.112 -6.432 1.00 0.00 C ATOM 1452 O PHE A 87 6.743 -9.163 -6.620 1.00 0.00 O ATOM 1453 CB PHE A 87 5.990 -8.789 -4.031 1.00 0.00 C ATOM 1454 CG PHE A 87 4.965 -9.025 -2.946 1.00 0.00 C ATOM 1455 CD1 PHE A 87 4.037 -10.067 -3.076 1.00 0.00 C ATOM 1456 CD2 PHE A 87 4.952 -8.214 -1.806 1.00 0.00 C ATOM 1457 CE1 PHE A 87 3.097 -10.296 -2.064 1.00 0.00 C ATOM 1458 CE2 PHE A 87 4.010 -8.443 -0.796 1.00 0.00 C ATOM 1459 CZ PHE A 87 3.085 -9.483 -0.927 1.00 0.00 C ATOM 0 H PHE A 87 3.798 -8.873 -6.002 1.00 0.00 H new ATOM 0 HA PHE A 87 5.580 -6.801 -4.837 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.272 -9.740 -4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.894 -8.362 -3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.047 -10.693 -3.956 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.668 -7.412 -1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.382 -11.100 -2.162 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.998 -7.817 0.084 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.359 -9.659 -0.147 1.00 0.00 H new ATOM 1469 N ASN A 88 6.140 -7.187 -7.358 1.00 0.00 N ATOM 1470 CA ASN A 88 6.846 -7.456 -8.651 1.00 0.00 C ATOM 1471 C ASN A 88 7.289 -6.164 -9.315 1.00 0.00 C ATOM 1472 O ASN A 88 7.512 -5.172 -8.665 1.00 0.00 O ATOM 1473 CB ASN A 88 5.858 -8.166 -9.565 1.00 0.00 C ATOM 1474 CG ASN A 88 4.897 -9.040 -8.752 1.00 0.00 C ATOM 1475 OD1 ASN A 88 3.862 -8.580 -8.313 1.00 0.00 O ATOM 1476 ND2 ASN A 88 5.200 -10.290 -8.532 1.00 0.00 N ATOM 0 H ASN A 88 5.678 -6.281 -7.282 1.00 0.00 H new ATOM 0 HA ASN A 88 7.734 -8.060 -8.464 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.292 -7.431 -10.138 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.398 -8.783 -10.283 1.00 0.00 H new ATOM 0 HD21 ASN A 88 4.568 -10.881 -7.992 1.00 0.00 H new ATOM 0 HD22 ASN A 88 6.069 -10.677 -8.900 1.00 0.00 H new ATOM 1483 N GLY A 89 7.439 -6.181 -10.611 1.00 0.00 N ATOM 1484 CA GLY A 89 7.910 -4.957 -11.304 1.00 0.00 C ATOM 1485 C GLY A 89 9.300 -4.674 -10.759 1.00 0.00 C ATOM 1486 O GLY A 89 9.574 -3.604 -10.253 1.00 0.00 O ATOM 0 H GLY A 89 7.257 -6.984 -11.213 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.937 -5.106 -12.383 1.00 0.00 H new ATOM 0 HA3 GLY A 89 7.239 -4.119 -11.115 1.00 0.00 H new ATOM 1490 N PRO A 90 10.121 -5.687 -10.842 1.00 0.00 N ATOM 1491 CA PRO A 90 11.496 -5.602 -10.306 1.00 0.00 C ATOM 1492 C PRO A 90 12.328 -4.563 -11.057 1.00 0.00 C ATOM 1493 O PRO A 90 12.066 -4.247 -12.201 1.00 0.00 O ATOM 1494 CB PRO A 90 12.049 -7.012 -10.498 1.00 0.00 C ATOM 1495 CG PRO A 90 11.229 -7.589 -11.604 1.00 0.00 C ATOM 1496 CD PRO A 90 9.854 -6.992 -11.456 1.00 0.00 C ATOM 0 HA PRO A 90 11.521 -5.282 -9.264 1.00 0.00 H new ATOM 0 HB2 PRO A 90 13.107 -6.991 -10.758 1.00 0.00 H new ATOM 0 HB3 PRO A 90 11.957 -7.602 -9.586 1.00 0.00 H new ATOM 0 HG2 PRO A 90 11.658 -7.345 -12.576 1.00 0.00 H new ATOM 0 HG3 PRO A 90 11.192 -8.676 -11.536 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.354 -6.889 -12.419 1.00 0.00 H new ATOM 0 HD3 PRO A 90 9.212 -7.609 -10.827 1.00 0.00 H new ATOM 1504 N VAL A 91 13.330 -4.028 -10.416 1.00 0.00 N ATOM 1505 CA VAL A 91 14.188 -3.004 -11.079 1.00 0.00 C ATOM 1506 C VAL A 91 15.032 -3.654 -12.180 1.00 0.00 C ATOM 1507 O VAL A 91 16.154 -3.216 -12.374 1.00 0.00 O ATOM 1508 CB VAL A 91 15.086 -2.460 -9.966 1.00 0.00 C ATOM 1509 CG1 VAL A 91 15.720 -1.143 -10.418 1.00 0.00 C ATOM 1510 CG2 VAL A 91 14.254 -2.216 -8.705 1.00 0.00 C ATOM 0 H VAL A 91 13.593 -4.256 -9.457 1.00 0.00 H new ATOM 0 HA VAL A 91 13.601 -2.216 -11.552 1.00 0.00 H new ATOM 0 HB VAL A 91 15.869 -3.187 -9.749 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.360 -0.756 -9.625 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.317 -1.315 -11.314 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.936 -0.418 -10.638 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.897 -1.829 -7.914 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.469 -1.492 -8.922 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.803 -3.154 -8.379 1.00 0.00 H new