USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 442 hydrogens (2 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 79 GLN : amide:sc= 0.451 K(o=0.86,f=-1.3) USER MOD Set 1.2: A 80 HIS : no HD1:sc= -0.0686 X(o=0.86,f=0.76) USER MOD Set 1.3: A 84 LYS NZ :NH3+ -145:sc= 0.482 (180deg=0) USER MOD Set 2.1: A 58 ASN : amide:sc= 0.968 K(o=1.2,f=0.091) USER MOD Set 2.2: A 69 TYR OH : rot -173:sc= 0.206 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 13:sc= 0.45 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= -0.328 (180deg=-0.328) USER MOD Single : A 52 LYS NZ :NH3+ -178:sc= 0.355 (180deg=0.351) USER MOD Single : A 53 LYS NZ :NH3+ -102:sc= -0.061 (180deg=-0.699) USER MOD Single : A 57 GLN : amide:sc= 1.8 K(o=1.8,f=-0.12) USER MOD Single : A 60 THR OG1 : rot -14:sc= 0.461 USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= 1.11 (180deg=0.811) USER MOD Single : A 68 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 72 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.83) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0837 USER MOD Single : A 77 GLN : amide:sc= -0.492 K(o=-0.49,f=-8!) USER MOD Single : A 78 CYS SG : rot 94:sc= 0.128 USER MOD Single : A 83 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.06) USER MOD Single : A 87 ASN : amide:sc= 0.0216 X(o=0.022,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 38 8.807 -11.085 -11.622 1.00 0.00 N ATOM 2 CA LEU A 38 7.732 -10.574 -10.752 1.00 0.00 C ATOM 3 C LEU A 38 7.925 -9.077 -10.504 1.00 0.00 C ATOM 4 O LEU A 38 8.880 -8.489 -11.006 1.00 0.00 O ATOM 5 CB LEU A 38 7.684 -11.356 -9.428 1.00 0.00 C ATOM 6 CG LEU A 38 9.036 -11.271 -8.696 1.00 0.00 C ATOM 7 CD1 LEU A 38 8.791 -11.079 -7.198 1.00 0.00 C ATOM 8 CD2 LEU A 38 9.832 -12.562 -8.916 1.00 0.00 C ATOM 0 HA LEU A 38 6.775 -10.718 -11.254 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.895 -10.956 -8.792 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.436 -12.399 -9.625 1.00 0.00 H new ATOM 0 HG LEU A 38 9.603 -10.427 -9.090 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.747 -11.019 -6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.231 -10.158 -7.036 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.220 -11.923 -6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.787 -12.494 -8.395 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.266 -13.409 -8.528 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.010 -12.703 -9.982 1.00 0.00 H new ATOM 22 N GLY A 39 7.015 -8.465 -9.735 1.00 0.00 N ATOM 23 CA GLY A 39 7.079 -7.041 -9.439 1.00 0.00 C ATOM 24 C GLY A 39 8.331 -6.717 -8.628 1.00 0.00 C ATOM 25 O GLY A 39 9.208 -5.992 -9.098 1.00 0.00 O ATOM 0 H GLY A 39 6.223 -8.944 -9.307 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.083 -6.471 -10.368 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.191 -6.739 -8.884 1.00 0.00 H new ATOM 29 N LYS A 40 8.411 -7.253 -7.403 1.00 0.00 N ATOM 30 CA LYS A 40 9.551 -7.015 -6.530 1.00 0.00 C ATOM 31 C LYS A 40 10.820 -7.547 -7.192 1.00 0.00 C ATOM 32 O LYS A 40 10.829 -8.671 -7.692 1.00 0.00 O ATOM 33 CB LYS A 40 9.319 -7.702 -5.180 1.00 0.00 C ATOM 34 CG LYS A 40 8.124 -7.063 -4.465 1.00 0.00 C ATOM 35 CD LYS A 40 7.929 -7.729 -3.100 1.00 0.00 C ATOM 36 CE LYS A 40 6.722 -7.107 -2.392 1.00 0.00 C ATOM 37 NZ LYS A 40 6.502 -7.729 -1.074 1.00 0.00 N ATOM 0 H LYS A 40 7.693 -7.855 -7.000 1.00 0.00 H new ATOM 0 HA LYS A 40 9.666 -5.945 -6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.137 -8.766 -5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.212 -7.616 -4.561 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.292 -5.993 -4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.223 -7.175 -5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.777 -8.801 -3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.825 -7.603 -2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.880 -6.035 -2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.832 -7.230 -3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.678 -7.289 -0.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.328 -8.747 -1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.344 -7.590 -0.480 1.00 0.00 H new ATOM 51 N THR A 41 11.886 -6.727 -7.192 1.00 0.00 N ATOM 52 CA THR A 41 13.170 -7.088 -7.793 1.00 0.00 C ATOM 53 C THR A 41 12.946 -7.752 -9.155 1.00 0.00 C ATOM 54 O THR A 41 13.296 -8.915 -9.349 1.00 0.00 O ATOM 55 CB THR A 41 13.955 -8.010 -6.839 1.00 0.00 C ATOM 56 OG1 THR A 41 13.208 -9.174 -6.557 1.00 0.00 O ATOM 57 CG2 THR A 41 14.246 -7.273 -5.530 1.00 0.00 C ATOM 0 H THR A 41 11.875 -5.797 -6.774 1.00 0.00 H new ATOM 0 HA THR A 41 13.761 -6.187 -7.954 1.00 0.00 H new ATOM 0 HB THR A 41 14.891 -8.292 -7.321 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.453 -9.237 -7.179 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.801 -7.929 -4.859 1.00 0.00 H new ATOM 0 HG22 THR A 41 14.838 -6.382 -5.738 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.307 -6.983 -5.059 1.00 0.00 H new ATOM 65 N ARG A 42 12.355 -7.005 -10.095 1.00 0.00 N ATOM 66 CA ARG A 42 12.068 -7.521 -11.425 1.00 0.00 C ATOM 67 C ARG A 42 13.367 -7.783 -12.193 1.00 0.00 C ATOM 68 O ARG A 42 14.416 -7.231 -11.861 1.00 0.00 O ATOM 69 CB ARG A 42 11.177 -6.523 -12.185 1.00 0.00 C ATOM 70 CG ARG A 42 11.894 -5.172 -12.337 1.00 0.00 C ATOM 71 CD ARG A 42 11.240 -4.356 -13.461 1.00 0.00 C ATOM 72 NE ARG A 42 12.141 -3.291 -13.929 1.00 0.00 N ATOM 73 CZ ARG A 42 13.292 -3.538 -14.585 1.00 0.00 C ATOM 74 NH1 ARG A 42 13.567 -4.775 -15.021 1.00 0.00 N ATOM 75 NH2 ARG A 42 14.168 -2.547 -14.796 1.00 0.00 N ATOM 0 H ARG A 42 12.068 -6.037 -9.951 1.00 0.00 H new ATOM 0 HA ARG A 42 11.537 -8.468 -11.332 1.00 0.00 H new ATOM 0 HB2 ARG A 42 10.929 -6.923 -13.168 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.237 -6.385 -11.651 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.847 -4.618 -11.399 1.00 0.00 H new ATOM 0 HG3 ARG A 42 12.949 -5.333 -12.559 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.985 -5.013 -14.292 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.308 -3.918 -13.103 1.00 0.00 H new ATOM 0 HE ARG A 42 11.882 -2.321 -13.749 1.00 0.00 H new ATOM 0 HH11 ARG A 42 12.904 -5.533 -14.857 1.00 0.00 H new ATOM 0 HH12 ARG A 42 14.439 -4.959 -15.517 1.00 0.00 H new ATOM 0 HH21 ARG A 42 13.964 -1.606 -14.460 1.00 0.00 H new ATOM 0 HH22 ARG A 42 15.039 -2.734 -15.292 1.00 0.00 H new ATOM 89 N TRP A 43 13.278 -8.626 -13.228 1.00 0.00 N ATOM 90 CA TRP A 43 14.412 -8.957 -14.079 1.00 0.00 C ATOM 91 C TRP A 43 13.892 -9.293 -15.475 1.00 0.00 C ATOM 92 O TRP A 43 12.757 -9.749 -15.619 1.00 0.00 O ATOM 93 CB TRP A 43 15.186 -10.139 -13.478 1.00 0.00 C ATOM 94 CG TRP A 43 16.139 -9.760 -12.387 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.908 -9.861 -11.067 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.479 -9.199 -12.502 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.986 -9.404 -10.342 1.00 0.00 N ATOM 98 CE2 TRP A 43 17.996 -8.974 -11.185 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.316 -8.852 -13.585 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.266 -8.426 -10.961 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.594 -8.297 -13.366 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.064 -8.080 -12.059 1.00 0.00 C ATOM 0 H TRP A 43 12.413 -9.096 -13.494 1.00 0.00 H new ATOM 0 HA TRP A 43 15.095 -8.110 -14.148 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.473 -10.864 -13.086 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.741 -10.637 -14.273 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.998 -10.249 -10.633 1.00 0.00 H new ATOM 0 HE1 TRP A 43 17.034 -9.385 -9.323 1.00 0.00 H new ATOM 0 HE3 TRP A 43 17.972 -9.014 -14.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.625 -8.272 -9.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.217 -8.037 -14.209 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.041 -7.646 -11.901 1.00 0.00 H new ATOM 113 N THR A 44 14.719 -9.060 -16.502 1.00 0.00 N ATOM 114 CA THR A 44 14.337 -9.327 -17.882 1.00 0.00 C ATOM 115 C THR A 44 15.584 -9.652 -18.705 1.00 0.00 C ATOM 116 O THR A 44 16.699 -9.434 -18.245 1.00 0.00 O ATOM 117 CB THR A 44 13.580 -8.115 -18.453 1.00 0.00 C ATOM 118 OG1 THR A 44 13.185 -8.387 -19.782 1.00 0.00 O ATOM 119 CG2 THR A 44 14.471 -6.869 -18.433 1.00 0.00 C ATOM 0 H THR A 44 15.661 -8.685 -16.395 1.00 0.00 H new ATOM 0 HA THR A 44 13.671 -10.189 -17.925 1.00 0.00 H new ATOM 0 HB THR A 44 12.700 -7.930 -17.836 1.00 0.00 H new ATOM 0 HG1 THR A 44 12.702 -7.615 -20.144 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.920 -6.021 -18.840 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.768 -6.650 -17.407 1.00 0.00 H new ATOM 0 HG23 THR A 44 15.360 -7.048 -19.037 1.00 0.00 H new ATOM 127 N ARG A 45 15.378 -10.181 -19.920 1.00 0.00 N ATOM 128 CA ARG A 45 16.464 -10.594 -20.807 1.00 0.00 C ATOM 129 C ARG A 45 17.561 -9.527 -20.899 1.00 0.00 C ATOM 130 O ARG A 45 18.729 -9.835 -20.693 1.00 0.00 O ATOM 131 CB ARG A 45 15.883 -10.896 -22.196 1.00 0.00 C ATOM 132 CG ARG A 45 17.017 -11.015 -23.224 1.00 0.00 C ATOM 133 CD ARG A 45 16.611 -11.982 -24.342 1.00 0.00 C ATOM 134 NE ARG A 45 16.714 -13.381 -23.896 1.00 0.00 N ATOM 135 CZ ARG A 45 17.889 -13.991 -23.648 1.00 0.00 C ATOM 136 NH1 ARG A 45 19.042 -13.354 -23.886 1.00 0.00 N ATOM 137 NH2 ARG A 45 17.905 -15.236 -23.158 1.00 0.00 N ATOM 0 H ARG A 45 14.449 -10.333 -20.312 1.00 0.00 H new ATOM 0 HA ARG A 45 16.929 -11.490 -20.397 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.309 -11.822 -22.166 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.195 -10.104 -22.491 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.243 -10.035 -23.644 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.925 -11.370 -22.737 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.589 -11.771 -24.656 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.250 -11.826 -25.211 1.00 0.00 H new ATOM 0 HE ARG A 45 15.854 -13.914 -23.769 1.00 0.00 H new ATOM 0 HH11 ARG A 45 19.033 -12.404 -24.256 1.00 0.00 H new ATOM 0 HH12 ARG A 45 19.930 -13.819 -23.697 1.00 0.00 H new ATOM 0 HH21 ARG A 45 17.028 -15.722 -22.973 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.794 -15.699 -22.970 1.00 0.00 H new ATOM 151 N GLU A 46 17.189 -8.285 -21.220 1.00 0.00 N ATOM 152 CA GLU A 46 18.159 -7.206 -21.377 1.00 0.00 C ATOM 153 C GLU A 46 19.034 -7.079 -20.125 1.00 0.00 C ATOM 154 O GLU A 46 20.262 -7.114 -20.215 1.00 0.00 O ATOM 155 CB GLU A 46 17.406 -5.896 -21.657 1.00 0.00 C ATOM 156 CG GLU A 46 18.399 -4.749 -21.895 1.00 0.00 C ATOM 157 CD GLU A 46 19.295 -5.030 -23.098 1.00 0.00 C ATOM 158 OE1 GLU A 46 18.729 -5.358 -24.163 1.00 0.00 O ATOM 159 OE2 GLU A 46 20.528 -4.910 -22.928 1.00 0.00 O ATOM 0 H GLU A 46 16.221 -8.005 -21.376 1.00 0.00 H new ATOM 0 HA GLU A 46 18.819 -7.427 -22.216 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.764 -6.017 -22.530 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.757 -5.655 -20.815 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.852 -3.820 -22.056 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.014 -4.608 -21.006 1.00 0.00 H new ATOM 166 N GLU A 47 18.396 -6.926 -18.963 1.00 0.00 N ATOM 167 CA GLU A 47 19.102 -6.747 -17.701 1.00 0.00 C ATOM 168 C GLU A 47 19.964 -7.981 -17.404 1.00 0.00 C ATOM 169 O GLU A 47 21.094 -7.849 -16.939 1.00 0.00 O ATOM 170 CB GLU A 47 18.068 -6.524 -16.586 1.00 0.00 C ATOM 171 CG GLU A 47 18.241 -5.135 -15.959 1.00 0.00 C ATOM 172 CD GLU A 47 16.923 -4.650 -15.364 1.00 0.00 C ATOM 173 OE1 GLU A 47 16.140 -5.522 -14.924 1.00 0.00 O ATOM 174 OE2 GLU A 47 16.712 -3.420 -15.359 1.00 0.00 O ATOM 0 H GLU A 47 17.380 -6.923 -18.874 1.00 0.00 H new ATOM 0 HA GLU A 47 19.761 -5.881 -17.760 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.061 -6.623 -16.991 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.180 -7.291 -15.820 1.00 0.00 H new ATOM 0 HG2 GLU A 47 19.005 -5.172 -15.183 1.00 0.00 H new ATOM 0 HG3 GLU A 47 18.588 -4.429 -16.714 1.00 0.00 H new ATOM 181 N ASP A 48 19.423 -9.177 -17.674 1.00 0.00 N ATOM 182 CA ASP A 48 20.135 -10.425 -17.438 1.00 0.00 C ATOM 183 C ASP A 48 21.417 -10.452 -18.258 1.00 0.00 C ATOM 184 O ASP A 48 22.502 -10.543 -17.697 1.00 0.00 O ATOM 185 CB ASP A 48 19.238 -11.615 -17.809 1.00 0.00 C ATOM 186 CG ASP A 48 18.424 -12.082 -16.613 1.00 0.00 C ATOM 187 OD1 ASP A 48 19.050 -12.627 -15.680 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.189 -11.894 -16.649 1.00 0.00 O ATOM 0 H ASP A 48 18.486 -9.299 -18.059 1.00 0.00 H new ATOM 0 HA ASP A 48 20.394 -10.497 -16.382 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.568 -11.330 -18.620 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.853 -12.436 -18.177 1.00 0.00 H new ATOM 193 N GLU A 49 21.288 -10.375 -19.588 1.00 0.00 N ATOM 194 CA GLU A 49 22.437 -10.395 -20.484 1.00 0.00 C ATOM 195 C GLU A 49 23.450 -9.336 -20.056 1.00 0.00 C ATOM 196 O GLU A 49 24.651 -9.606 -20.012 1.00 0.00 O ATOM 197 CB GLU A 49 21.972 -10.143 -21.925 1.00 0.00 C ATOM 198 CG GLU A 49 21.144 -11.332 -22.441 1.00 0.00 C ATOM 199 CD GLU A 49 21.983 -12.602 -22.557 1.00 0.00 C ATOM 200 OE1 GLU A 49 23.221 -12.468 -22.643 1.00 0.00 O ATOM 201 OE2 GLU A 49 21.365 -13.693 -22.554 1.00 0.00 O ATOM 0 H GLU A 49 20.390 -10.298 -20.065 1.00 0.00 H new ATOM 0 HA GLU A 49 22.917 -11.372 -20.435 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.375 -9.232 -21.966 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.837 -9.987 -22.570 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.306 -11.511 -21.767 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.722 -11.085 -23.415 1.00 0.00 H new ATOM 208 N LYS A 50 22.963 -8.130 -19.738 1.00 0.00 N ATOM 209 CA LYS A 50 23.821 -7.041 -19.307 1.00 0.00 C ATOM 210 C LYS A 50 24.601 -7.452 -18.054 1.00 0.00 C ATOM 211 O LYS A 50 25.781 -7.137 -17.937 1.00 0.00 O ATOM 212 CB LYS A 50 22.966 -5.796 -19.047 1.00 0.00 C ATOM 213 CG LYS A 50 23.866 -4.599 -18.723 1.00 0.00 C ATOM 214 CD LYS A 50 23.046 -3.307 -18.812 1.00 0.00 C ATOM 215 CE LYS A 50 23.917 -2.102 -18.437 1.00 0.00 C ATOM 216 NZ LYS A 50 24.234 -2.100 -16.998 1.00 0.00 N ATOM 0 H LYS A 50 21.972 -7.892 -19.774 1.00 0.00 H new ATOM 0 HA LYS A 50 24.545 -6.808 -20.088 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.355 -5.575 -19.922 1.00 0.00 H new ATOM 0 HB3 LYS A 50 22.282 -5.981 -18.219 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.288 -4.707 -17.724 1.00 0.00 H new ATOM 0 HG3 LYS A 50 24.703 -4.560 -19.420 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.657 -3.183 -19.823 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.187 -3.366 -18.144 1.00 0.00 H new ATOM 0 HE2 LYS A 50 24.841 -2.124 -19.015 1.00 0.00 H new ATOM 0 HE3 LYS A 50 23.398 -1.180 -18.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 24.824 -1.274 -16.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 23.352 -2.055 -16.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 24.750 -2.970 -16.755 1.00 0.00 H new ATOM 230 N LEU A 51 23.949 -8.157 -17.120 1.00 0.00 N ATOM 231 CA LEU A 51 24.603 -8.595 -15.899 1.00 0.00 C ATOM 232 C LEU A 51 25.617 -9.696 -16.219 1.00 0.00 C ATOM 233 O LEU A 51 26.707 -9.705 -15.663 1.00 0.00 O ATOM 234 CB LEU A 51 23.545 -9.094 -14.900 1.00 0.00 C ATOM 235 CG LEU A 51 24.211 -9.573 -13.596 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.814 -8.383 -12.841 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.165 -10.251 -12.712 1.00 0.00 C ATOM 0 H LEU A 51 22.970 -8.432 -17.195 1.00 0.00 H new ATOM 0 HA LEU A 51 25.138 -7.759 -15.448 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.838 -8.293 -14.681 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.975 -9.910 -15.344 1.00 0.00 H new ATOM 0 HG LEU A 51 25.004 -10.279 -13.842 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.282 -8.735 -11.921 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.563 -7.897 -13.466 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.027 -7.670 -12.598 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.634 -10.591 -11.789 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.372 -9.541 -12.476 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.741 -11.106 -13.240 1.00 0.00 H new ATOM 249 N LYS A 52 25.254 -10.626 -17.111 1.00 0.00 N ATOM 250 CA LYS A 52 26.121 -11.745 -17.461 1.00 0.00 C ATOM 251 C LYS A 52 27.478 -11.252 -17.962 1.00 0.00 C ATOM 252 O LYS A 52 28.511 -11.633 -17.415 1.00 0.00 O ATOM 253 CB LYS A 52 25.444 -12.619 -18.527 1.00 0.00 C ATOM 254 CG LYS A 52 24.116 -13.178 -17.993 1.00 0.00 C ATOM 255 CD LYS A 52 23.989 -14.666 -18.343 1.00 0.00 C ATOM 256 CE LYS A 52 23.672 -14.829 -19.834 1.00 0.00 C ATOM 257 NZ LYS A 52 22.284 -14.429 -20.128 1.00 0.00 N ATOM 0 H LYS A 52 24.360 -10.620 -17.603 1.00 0.00 H new ATOM 0 HA LYS A 52 26.290 -12.342 -16.565 1.00 0.00 H new ATOM 0 HB2 LYS A 52 25.263 -12.032 -19.427 1.00 0.00 H new ATOM 0 HB3 LYS A 52 26.105 -13.439 -18.808 1.00 0.00 H new ATOM 0 HG2 LYS A 52 24.066 -13.046 -16.912 1.00 0.00 H new ATOM 0 HG3 LYS A 52 23.281 -12.624 -18.421 1.00 0.00 H new ATOM 0 HD2 LYS A 52 24.916 -15.185 -18.101 1.00 0.00 H new ATOM 0 HD3 LYS A 52 23.202 -15.123 -17.743 1.00 0.00 H new ATOM 0 HE2 LYS A 52 24.361 -14.224 -20.424 1.00 0.00 H new ATOM 0 HE3 LYS A 52 23.825 -15.867 -20.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.085 -14.581 -21.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.630 -15.000 -19.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.157 -13.423 -19.898 1.00 0.00 H new ATOM 271 N LYS A 53 27.481 -10.417 -19.008 1.00 0.00 N ATOM 272 CA LYS A 53 28.724 -9.928 -19.598 1.00 0.00 C ATOM 273 C LYS A 53 29.548 -9.126 -18.578 1.00 0.00 C ATOM 274 O LYS A 53 30.771 -9.068 -18.689 1.00 0.00 O ATOM 275 CB LYS A 53 28.412 -9.096 -20.852 1.00 0.00 C ATOM 276 CG LYS A 53 27.627 -7.831 -20.485 1.00 0.00 C ATOM 277 CD LYS A 53 27.320 -7.010 -21.747 1.00 0.00 C ATOM 278 CE LYS A 53 26.306 -7.747 -22.636 1.00 0.00 C ATOM 279 NZ LYS A 53 26.976 -8.467 -23.736 1.00 0.00 N ATOM 0 H LYS A 53 26.636 -10.069 -19.460 1.00 0.00 H new ATOM 0 HA LYS A 53 29.332 -10.783 -19.893 1.00 0.00 H new ATOM 0 HB2 LYS A 53 29.341 -8.821 -21.352 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.836 -9.695 -21.557 1.00 0.00 H new ATOM 0 HG2 LYS A 53 26.698 -8.104 -19.985 1.00 0.00 H new ATOM 0 HG3 LYS A 53 28.202 -7.229 -19.782 1.00 0.00 H new ATOM 0 HD2 LYS A 53 26.924 -6.034 -21.466 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.239 -6.832 -22.305 1.00 0.00 H new ATOM 0 HE2 LYS A 53 25.736 -8.453 -22.032 1.00 0.00 H new ATOM 0 HE3 LYS A 53 25.594 -7.032 -23.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 26.875 -7.925 -24.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 27.985 -8.580 -23.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 26.540 -9.404 -23.854 1.00 0.00 H new ATOM 293 N LEU A 54 28.889 -8.512 -17.586 1.00 0.00 N ATOM 294 CA LEU A 54 29.590 -7.738 -16.570 1.00 0.00 C ATOM 295 C LEU A 54 30.229 -8.679 -15.548 1.00 0.00 C ATOM 296 O LEU A 54 31.416 -8.559 -15.265 1.00 0.00 O ATOM 297 CB LEU A 54 28.618 -6.771 -15.883 1.00 0.00 C ATOM 298 CG LEU A 54 28.255 -5.614 -16.828 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.096 -4.816 -16.226 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.464 -4.689 -17.019 1.00 0.00 C ATOM 0 H LEU A 54 27.876 -8.540 -17.471 1.00 0.00 H new ATOM 0 HA LEU A 54 30.379 -7.154 -17.044 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.714 -7.303 -15.586 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.070 -6.377 -14.972 1.00 0.00 H new ATOM 0 HG LEU A 54 27.963 -6.021 -17.796 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.835 -3.994 -16.893 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.232 -5.469 -16.099 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.394 -4.416 -15.257 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.195 -3.873 -17.690 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.766 -4.281 -16.054 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.291 -5.255 -17.448 1.00 0.00 H new ATOM 312 N VAL A 55 29.442 -9.613 -14.998 1.00 0.00 N ATOM 313 CA VAL A 55 29.938 -10.568 -14.011 1.00 0.00 C ATOM 314 C VAL A 55 31.065 -11.405 -14.617 1.00 0.00 C ATOM 315 O VAL A 55 32.021 -11.741 -13.931 1.00 0.00 O ATOM 316 CB VAL A 55 28.781 -11.467 -13.541 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.326 -12.611 -12.679 1.00 0.00 C ATOM 318 CG2 VAL A 55 27.792 -10.646 -12.708 1.00 0.00 C ATOM 0 H VAL A 55 28.454 -9.724 -15.225 1.00 0.00 H new ATOM 0 HA VAL A 55 30.336 -10.032 -13.150 1.00 0.00 H new ATOM 0 HB VAL A 55 28.276 -11.876 -14.416 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.501 -13.243 -12.350 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.028 -13.205 -13.264 1.00 0.00 H new ATOM 0 HG13 VAL A 55 29.837 -12.199 -11.809 1.00 0.00 H new ATOM 0 HG21 VAL A 55 26.975 -11.287 -12.378 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.304 -10.233 -11.839 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.393 -9.833 -13.314 1.00 0.00 H new ATOM 328 N GLU A 56 30.947 -11.735 -15.904 1.00 0.00 N ATOM 329 CA GLU A 56 31.952 -12.517 -16.604 1.00 0.00 C ATOM 330 C GLU A 56 33.315 -11.816 -16.534 1.00 0.00 C ATOM 331 O GLU A 56 34.326 -12.450 -16.238 1.00 0.00 O ATOM 332 CB GLU A 56 31.498 -12.693 -18.059 1.00 0.00 C ATOM 333 CG GLU A 56 32.532 -13.496 -18.854 1.00 0.00 C ATOM 334 CD GLU A 56 32.119 -13.596 -20.317 1.00 0.00 C ATOM 335 OE1 GLU A 56 32.014 -12.520 -20.950 1.00 0.00 O ATOM 336 OE2 GLU A 56 31.914 -14.740 -20.774 1.00 0.00 O ATOM 0 H GLU A 56 30.152 -11.466 -16.484 1.00 0.00 H new ATOM 0 HA GLU A 56 32.062 -13.495 -16.136 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.535 -13.203 -18.086 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.355 -11.716 -18.521 1.00 0.00 H new ATOM 0 HG2 GLU A 56 33.509 -13.019 -18.778 1.00 0.00 H new ATOM 0 HG3 GLU A 56 32.631 -14.495 -18.429 1.00 0.00 H new ATOM 343 N GLN A 57 33.334 -10.509 -16.819 1.00 0.00 N ATOM 344 CA GLN A 57 34.567 -9.731 -16.842 1.00 0.00 C ATOM 345 C GLN A 57 35.004 -9.343 -15.425 1.00 0.00 C ATOM 346 O GLN A 57 36.110 -9.677 -15.007 1.00 0.00 O ATOM 347 CB GLN A 57 34.342 -8.478 -17.704 1.00 0.00 C ATOM 348 CG GLN A 57 34.886 -8.703 -19.123 1.00 0.00 C ATOM 349 CD GLN A 57 34.388 -10.019 -19.724 1.00 0.00 C ATOM 350 OE1 GLN A 57 35.188 -10.897 -20.035 1.00 0.00 O ATOM 351 NE2 GLN A 57 33.073 -10.153 -19.888 1.00 0.00 N ATOM 0 H GLN A 57 32.498 -9.968 -17.038 1.00 0.00 H new ATOM 0 HA GLN A 57 35.366 -10.335 -17.271 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.278 -8.244 -17.748 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.838 -7.621 -17.249 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.583 -7.874 -19.763 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.976 -8.705 -19.098 1.00 0.00 H new ATOM 0 HE21 GLN A 57 32.445 -9.397 -19.615 1.00 0.00 H new ATOM 0 HE22 GLN A 57 32.694 -11.012 -20.286 1.00 0.00 H new ATOM 360 N ASN A 58 34.143 -8.625 -14.695 1.00 0.00 N ATOM 361 CA ASN A 58 34.465 -8.149 -13.351 1.00 0.00 C ATOM 362 C ASN A 58 34.705 -9.323 -12.402 1.00 0.00 C ATOM 363 O ASN A 58 35.646 -9.293 -11.611 1.00 0.00 O ATOM 364 CB ASN A 58 33.325 -7.266 -12.831 1.00 0.00 C ATOM 365 CG ASN A 58 33.250 -5.952 -13.605 1.00 0.00 C ATOM 366 OD1 ASN A 58 33.802 -4.941 -13.174 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.563 -5.964 -14.747 1.00 0.00 N ATOM 0 H ASN A 58 33.212 -8.361 -15.018 1.00 0.00 H new ATOM 0 HA ASN A 58 35.382 -7.561 -13.397 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.378 -7.799 -12.921 1.00 0.00 H new ATOM 0 HB3 ASN A 58 33.475 -7.059 -11.771 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.479 -5.112 -15.301 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.121 -6.826 -15.067 1.00 0.00 H new ATOM 374 N GLY A 59 33.852 -10.350 -12.479 1.00 0.00 N ATOM 375 CA GLY A 59 33.960 -11.524 -11.623 1.00 0.00 C ATOM 376 C GLY A 59 32.864 -11.503 -10.559 1.00 0.00 C ATOM 377 O GLY A 59 32.226 -10.476 -10.341 1.00 0.00 O ATOM 0 H GLY A 59 33.072 -10.386 -13.135 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.877 -12.430 -12.223 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.940 -11.547 -11.146 1.00 0.00 H new ATOM 381 N THR A 60 32.651 -12.647 -9.898 1.00 0.00 N ATOM 382 CA THR A 60 31.640 -12.771 -8.848 1.00 0.00 C ATOM 383 C THR A 60 32.222 -12.330 -7.495 1.00 0.00 C ATOM 384 O THR A 60 31.490 -12.224 -6.512 1.00 0.00 O ATOM 385 CB THR A 60 31.126 -14.228 -8.797 1.00 0.00 C ATOM 386 OG1 THR A 60 30.381 -14.440 -7.620 1.00 0.00 O ATOM 387 CG2 THR A 60 32.295 -15.215 -8.829 1.00 0.00 C ATOM 0 H THR A 60 33.172 -13.506 -10.076 1.00 0.00 H new ATOM 0 HA THR A 60 30.797 -12.118 -9.071 1.00 0.00 H new ATOM 0 HB THR A 60 30.493 -14.392 -9.669 1.00 0.00 H new ATOM 0 HG1 THR A 60 30.539 -13.701 -6.995 1.00 0.00 H new ATOM 0 HG21 THR A 60 31.911 -16.235 -8.792 1.00 0.00 H new ATOM 0 HG22 THR A 60 32.865 -15.075 -9.748 1.00 0.00 H new ATOM 0 HG23 THR A 60 32.943 -15.040 -7.970 1.00 0.00 H new ATOM 395 N ASP A 61 33.540 -12.068 -7.447 1.00 0.00 N ATOM 396 CA ASP A 61 34.200 -11.635 -6.223 1.00 0.00 C ATOM 397 C ASP A 61 33.517 -10.374 -5.687 1.00 0.00 C ATOM 398 O ASP A 61 32.960 -10.391 -4.589 1.00 0.00 O ATOM 399 CB ASP A 61 35.683 -11.384 -6.511 1.00 0.00 C ATOM 400 CG ASP A 61 36.430 -11.027 -5.233 1.00 0.00 C ATOM 401 OD1 ASP A 61 36.672 -11.961 -4.438 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.745 -9.830 -5.075 1.00 0.00 O ATOM 0 H ASP A 61 34.163 -12.152 -8.250 1.00 0.00 H new ATOM 0 HA ASP A 61 34.122 -12.410 -5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 61 36.126 -12.273 -6.960 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.786 -10.576 -7.235 1.00 0.00 H new ATOM 407 N ASP A 62 33.553 -9.286 -6.469 1.00 0.00 N ATOM 408 CA ASP A 62 32.906 -8.038 -6.088 1.00 0.00 C ATOM 409 C ASP A 62 31.472 -8.020 -6.592 1.00 0.00 C ATOM 410 O ASP A 62 31.088 -8.833 -7.434 1.00 0.00 O ATOM 411 CB ASP A 62 33.678 -6.835 -6.653 1.00 0.00 C ATOM 412 CG ASP A 62 34.126 -5.904 -5.535 1.00 0.00 C ATOM 413 OD1 ASP A 62 33.224 -5.409 -4.821 1.00 0.00 O ATOM 414 OD2 ASP A 62 35.353 -5.699 -5.418 1.00 0.00 O ATOM 0 H ASP A 62 34.027 -9.253 -7.371 1.00 0.00 H new ATOM 0 HA ASP A 62 32.902 -7.967 -5.000 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.547 -7.185 -7.211 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.047 -6.290 -7.355 1.00 0.00 H new ATOM 419 N TRP A 63 30.686 -7.075 -6.074 1.00 0.00 N ATOM 420 CA TRP A 63 29.298 -6.908 -6.470 1.00 0.00 C ATOM 421 C TRP A 63 28.952 -5.425 -6.546 1.00 0.00 C ATOM 422 O TRP A 63 28.176 -5.021 -7.406 1.00 0.00 O ATOM 423 CB TRP A 63 28.397 -7.655 -5.489 1.00 0.00 C ATOM 424 CG TRP A 63 28.454 -9.139 -5.655 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.956 -10.016 -4.771 1.00 0.00 C ATOM 426 CD2 TRP A 63 28.029 -9.939 -6.795 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.886 -11.299 -5.260 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.319 -11.311 -6.520 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.433 -9.650 -8.044 1.00 0.00 C ATOM 430 CZ2 TRP A 63 28.041 -12.331 -7.430 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.154 -10.676 -8.967 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.467 -12.014 -8.663 1.00 0.00 C ATOM 0 H TRP A 63 30.999 -6.407 -5.369 1.00 0.00 H new ATOM 0 HA TRP A 63 29.139 -7.331 -7.462 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.687 -7.398 -4.470 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.368 -7.320 -5.622 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.360 -9.749 -3.806 1.00 0.00 H new ATOM 0 HE1 TRP A 63 29.208 -12.128 -4.761 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.188 -8.628 -8.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 28.268 -13.358 -7.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.697 -10.434 -9.915 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.264 -12.794 -9.382 1.00 0.00 H new ATOM 443 N LYS A 64 29.533 -4.607 -5.660 1.00 0.00 N ATOM 444 CA LYS A 64 29.300 -3.172 -5.683 1.00 0.00 C ATOM 445 C LYS A 64 29.854 -2.592 -6.983 1.00 0.00 C ATOM 446 O LYS A 64 29.255 -1.687 -7.565 1.00 0.00 O ATOM 447 CB LYS A 64 29.957 -2.521 -4.458 1.00 0.00 C ATOM 448 CG LYS A 64 28.905 -1.718 -3.687 1.00 0.00 C ATOM 449 CD LYS A 64 29.445 -1.347 -2.303 1.00 0.00 C ATOM 450 CE LYS A 64 28.290 -0.907 -1.397 1.00 0.00 C ATOM 451 NZ LYS A 64 27.427 -2.051 -1.038 1.00 0.00 N ATOM 0 H LYS A 64 30.165 -4.920 -4.923 1.00 0.00 H new ATOM 0 HA LYS A 64 28.230 -2.966 -5.641 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.391 -3.286 -3.814 1.00 0.00 H new ATOM 0 HB3 LYS A 64 30.772 -1.868 -4.772 1.00 0.00 H new ATOM 0 HG2 LYS A 64 28.646 -0.815 -4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 64 27.991 -2.303 -3.586 1.00 0.00 H new ATOM 0 HD2 LYS A 64 29.960 -2.201 -1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 64 30.177 -0.544 -2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 64 28.689 -0.450 -0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 64 27.697 -0.145 -1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 26.817 -1.788 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 26.836 -2.309 -1.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 28.020 -2.862 -0.769 1.00 0.00 H new ATOM 465 N VAL A 65 30.996 -3.125 -7.445 1.00 0.00 N ATOM 466 CA VAL A 65 31.604 -2.687 -8.693 1.00 0.00 C ATOM 467 C VAL A 65 30.605 -2.880 -9.832 1.00 0.00 C ATOM 468 O VAL A 65 30.530 -2.063 -10.745 1.00 0.00 O ATOM 469 CB VAL A 65 32.877 -3.508 -8.955 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.523 -3.062 -10.270 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.872 -3.311 -7.811 1.00 0.00 C ATOM 0 H VAL A 65 31.512 -3.862 -6.965 1.00 0.00 H new ATOM 0 HA VAL A 65 31.871 -1.632 -8.628 1.00 0.00 H new ATOM 0 HB VAL A 65 32.607 -4.562 -9.021 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.425 -3.648 -10.450 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.822 -3.215 -11.090 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.783 -2.005 -10.207 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.771 -3.896 -8.005 1.00 0.00 H new ATOM 0 HG22 VAL A 65 34.136 -2.256 -7.736 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.420 -3.640 -6.875 1.00 0.00 H new ATOM 481 N ILE A 66 29.843 -3.973 -9.765 1.00 0.00 N ATOM 482 CA ILE A 66 28.869 -4.312 -10.784 1.00 0.00 C ATOM 483 C ILE A 66 27.609 -3.464 -10.605 1.00 0.00 C ATOM 484 O ILE A 66 27.028 -3.003 -11.587 1.00 0.00 O ATOM 485 CB ILE A 66 28.563 -5.814 -10.694 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.892 -6.591 -10.649 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.742 -6.245 -11.916 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.640 -8.091 -10.719 1.00 0.00 C ATOM 0 H ILE A 66 29.890 -4.644 -8.998 1.00 0.00 H new ATOM 0 HA ILE A 66 29.266 -4.098 -11.776 1.00 0.00 H new ATOM 0 HB ILE A 66 27.988 -6.024 -9.792 1.00 0.00 H new ATOM 0 HG12 ILE A 66 30.527 -6.284 -11.480 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.429 -6.350 -9.732 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.525 -7.311 -11.851 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.807 -5.686 -11.942 1.00 0.00 H new ATOM 0 HG23 ILE A 66 28.310 -6.045 -12.825 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.591 -8.622 -10.686 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.024 -8.396 -9.873 1.00 0.00 H new ATOM 0 HD13 ILE A 66 29.123 -8.330 -11.649 1.00 0.00 H new ATOM 500 N ALA A 67 27.193 -3.256 -9.349 1.00 0.00 N ATOM 501 CA ALA A 67 26.014 -2.459 -9.041 1.00 0.00 C ATOM 502 C ALA A 67 26.156 -1.053 -9.626 1.00 0.00 C ATOM 503 O ALA A 67 25.169 -0.456 -10.042 1.00 0.00 O ATOM 504 CB ALA A 67 25.827 -2.394 -7.524 1.00 0.00 C ATOM 0 H ALA A 67 27.665 -3.635 -8.528 1.00 0.00 H new ATOM 0 HA ALA A 67 25.136 -2.925 -9.488 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.945 -1.798 -7.291 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.698 -3.402 -7.130 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.705 -1.936 -7.068 1.00 0.00 H new ATOM 510 N ASN A 68 27.388 -0.525 -9.665 1.00 0.00 N ATOM 511 CA ASN A 68 27.640 0.802 -10.218 1.00 0.00 C ATOM 512 C ASN A 68 27.173 0.866 -11.676 1.00 0.00 C ATOM 513 O ASN A 68 26.689 1.904 -12.123 1.00 0.00 O ATOM 514 CB ASN A 68 29.134 1.133 -10.117 1.00 0.00 C ATOM 515 CG ASN A 68 29.445 1.876 -8.821 1.00 0.00 C ATOM 516 OD1 ASN A 68 29.626 3.090 -8.830 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.506 1.148 -7.707 1.00 0.00 N ATOM 0 H ASN A 68 28.221 -1.001 -9.319 1.00 0.00 H new ATOM 0 HA ASN A 68 27.078 1.539 -9.645 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.717 0.213 -10.162 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.433 1.742 -10.970 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.710 1.598 -6.814 1.00 0.00 H new ATOM 0 HD22 ASN A 68 29.349 0.141 -7.747 1.00 0.00 H new ATOM 524 N TYR A 69 27.316 -0.243 -12.419 1.00 0.00 N ATOM 525 CA TYR A 69 26.908 -0.293 -13.820 1.00 0.00 C ATOM 526 C TYR A 69 25.393 -0.498 -13.931 1.00 0.00 C ATOM 527 O TYR A 69 24.824 -0.303 -15.007 1.00 0.00 O ATOM 528 CB TYR A 69 27.638 -1.437 -14.534 1.00 0.00 C ATOM 529 CG TYR A 69 29.118 -1.535 -14.218 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.931 -0.385 -14.211 1.00 0.00 C ATOM 531 CD2 TYR A 69 29.684 -2.790 -13.943 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.304 -0.498 -13.925 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.051 -2.901 -13.658 1.00 0.00 C ATOM 534 CZ TYR A 69 31.864 -1.758 -13.649 1.00 0.00 C ATOM 535 OH TYR A 69 33.196 -1.872 -13.375 1.00 0.00 O ATOM 0 H TYR A 69 27.712 -1.114 -12.067 1.00 0.00 H new ATOM 0 HA TYR A 69 27.169 0.654 -14.292 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.159 -2.379 -14.266 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.517 -1.312 -15.610 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.501 0.582 -14.425 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.063 -3.674 -13.951 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.928 0.383 -13.917 1.00 0.00 H new ATOM 0 HE2 TYR A 69 31.480 -3.869 -13.445 1.00 0.00 H new ATOM 0 HH TYR A 69 33.438 -2.820 -13.317 1.00 0.00 H new ATOM 545 N LEU A 70 24.745 -0.899 -12.824 1.00 0.00 N ATOM 546 CA LEU A 70 23.307 -1.142 -12.792 1.00 0.00 C ATOM 547 C LEU A 70 22.678 -0.336 -11.650 1.00 0.00 C ATOM 548 O LEU A 70 22.392 -0.903 -10.594 1.00 0.00 O ATOM 549 CB LEU A 70 23.055 -2.644 -12.579 1.00 0.00 C ATOM 550 CG LEU A 70 23.342 -3.427 -13.868 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.672 -4.880 -13.519 1.00 0.00 C ATOM 552 CD2 LEU A 70 22.109 -3.394 -14.779 1.00 0.00 C ATOM 0 H LEU A 70 25.210 -1.061 -11.931 1.00 0.00 H new ATOM 0 HA LEU A 70 22.857 -0.831 -13.735 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.689 -3.014 -11.773 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.022 -2.805 -12.271 1.00 0.00 H new ATOM 0 HG LEU A 70 24.187 -2.971 -14.384 1.00 0.00 H new ATOM 0 HD11 LEU A 70 23.876 -5.437 -14.434 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.550 -4.909 -12.873 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.826 -5.331 -13.001 1.00 0.00 H new ATOM 0 HD21 LEU A 70 22.317 -3.951 -15.693 1.00 0.00 H new ATOM 0 HD22 LEU A 70 21.263 -3.847 -14.262 1.00 0.00 H new ATOM 0 HD23 LEU A 70 21.870 -2.361 -15.030 1.00 0.00 H new ATOM 564 N PRO A 71 22.457 0.985 -11.852 1.00 0.00 N ATOM 565 CA PRO A 71 21.859 1.847 -10.846 1.00 0.00 C ATOM 566 C PRO A 71 20.390 1.464 -10.631 1.00 0.00 C ATOM 567 O PRO A 71 19.485 2.156 -11.087 1.00 0.00 O ATOM 568 CB PRO A 71 22.013 3.275 -11.385 1.00 0.00 C ATOM 569 CG PRO A 71 22.422 3.145 -12.856 1.00 0.00 C ATOM 570 CD PRO A 71 22.794 1.677 -13.081 1.00 0.00 C ATOM 0 HA PRO A 71 22.340 1.752 -9.872 1.00 0.00 H new ATOM 0 HB2 PRO A 71 21.079 3.828 -11.290 1.00 0.00 H new ATOM 0 HB3 PRO A 71 22.767 3.823 -10.820 1.00 0.00 H new ATOM 0 HG2 PRO A 71 21.604 3.442 -13.513 1.00 0.00 H new ATOM 0 HG3 PRO A 71 23.266 3.797 -13.082 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.245 1.261 -13.926 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.855 1.574 -13.308 1.00 0.00 H new ATOM 578 N ASN A 72 20.174 0.347 -9.935 1.00 0.00 N ATOM 579 CA ASN A 72 18.846 -0.184 -9.659 1.00 0.00 C ATOM 580 C ASN A 72 18.986 -1.495 -8.888 1.00 0.00 C ATOM 581 O ASN A 72 18.138 -1.818 -8.057 1.00 0.00 O ATOM 582 CB ASN A 72 18.086 -0.435 -10.979 1.00 0.00 C ATOM 583 CG ASN A 72 17.075 0.672 -11.285 1.00 0.00 C ATOM 584 OD1 ASN A 72 17.040 1.190 -12.397 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.246 1.026 -10.302 1.00 0.00 N ATOM 0 H ASN A 72 20.928 -0.218 -9.544 1.00 0.00 H new ATOM 0 HA ASN A 72 18.284 0.538 -9.066 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.800 -0.509 -11.799 1.00 0.00 H new ATOM 0 HB3 ASN A 72 17.567 -1.392 -10.921 1.00 0.00 H new ATOM 0 HD21 ASN A 72 15.549 1.753 -10.460 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.309 0.569 -9.392 1.00 0.00 H new ATOM 592 N ARG A 73 20.059 -2.253 -9.178 1.00 0.00 N ATOM 593 CA ARG A 73 20.309 -3.534 -8.538 1.00 0.00 C ATOM 594 C ARG A 73 21.537 -3.428 -7.641 1.00 0.00 C ATOM 595 O ARG A 73 22.656 -3.301 -8.132 1.00 0.00 O ATOM 596 CB ARG A 73 20.517 -4.613 -9.615 1.00 0.00 C ATOM 597 CG ARG A 73 19.341 -4.633 -10.604 1.00 0.00 C ATOM 598 CD ARG A 73 18.082 -5.199 -9.931 1.00 0.00 C ATOM 599 NE ARG A 73 16.871 -4.730 -10.609 1.00 0.00 N ATOM 600 CZ ARG A 73 16.555 -5.071 -11.866 1.00 0.00 C ATOM 601 NH1 ARG A 73 17.256 -6.006 -12.512 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.536 -4.471 -12.479 1.00 0.00 N ATOM 0 H ARG A 73 20.768 -1.986 -9.861 1.00 0.00 H new ATOM 0 HA ARG A 73 19.453 -3.812 -7.923 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.446 -4.422 -10.152 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.617 -5.590 -9.142 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.145 -3.624 -10.965 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.599 -5.238 -11.473 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.114 -6.288 -9.948 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.057 -4.897 -8.884 1.00 0.00 H new ATOM 0 HE ARG A 73 16.237 -4.114 -10.100 1.00 0.00 H new ATOM 0 HH11 ARG A 73 18.039 -6.467 -12.049 1.00 0.00 H new ATOM 0 HH12 ARG A 73 17.008 -6.259 -13.469 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.998 -3.754 -11.992 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.293 -4.728 -13.436 1.00 0.00 H new ATOM 616 N THR A 74 21.321 -3.485 -6.322 1.00 0.00 N ATOM 617 CA THR A 74 22.407 -3.408 -5.356 1.00 0.00 C ATOM 618 C THR A 74 23.161 -4.744 -5.312 1.00 0.00 C ATOM 619 O THR A 74 22.876 -5.651 -6.099 1.00 0.00 O ATOM 620 CB THR A 74 21.833 -3.032 -3.978 1.00 0.00 C ATOM 621 OG1 THR A 74 22.885 -2.668 -3.110 1.00 0.00 O ATOM 622 CG2 THR A 74 21.064 -4.213 -3.375 1.00 0.00 C ATOM 0 H THR A 74 20.396 -3.585 -5.904 1.00 0.00 H new ATOM 0 HA THR A 74 23.119 -2.637 -5.651 1.00 0.00 H new ATOM 0 HB THR A 74 21.149 -2.192 -4.103 1.00 0.00 H new ATOM 0 HG1 THR A 74 22.518 -2.427 -2.234 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.666 -3.929 -2.401 1.00 0.00 H new ATOM 0 HG22 THR A 74 20.243 -4.488 -4.037 1.00 0.00 H new ATOM 0 HG23 THR A 74 21.736 -5.063 -3.258 1.00 0.00 H new ATOM 630 N ASP A 75 24.126 -4.856 -4.388 1.00 0.00 N ATOM 631 CA ASP A 75 24.937 -6.059 -4.238 1.00 0.00 C ATOM 632 C ASP A 75 24.046 -7.292 -4.110 1.00 0.00 C ATOM 633 O ASP A 75 24.216 -8.259 -4.842 1.00 0.00 O ATOM 634 CB ASP A 75 25.820 -5.929 -2.989 1.00 0.00 C ATOM 635 CG ASP A 75 26.648 -4.655 -3.014 1.00 0.00 C ATOM 636 OD1 ASP A 75 26.043 -3.578 -2.804 1.00 0.00 O ATOM 637 OD2 ASP A 75 27.868 -4.776 -3.233 1.00 0.00 O ATOM 0 H ASP A 75 24.361 -4.114 -3.729 1.00 0.00 H new ATOM 0 HA ASP A 75 25.565 -6.172 -5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.193 -5.937 -2.098 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.482 -6.792 -2.921 1.00 0.00 H new ATOM 642 N VAL A 76 23.103 -7.247 -3.164 1.00 0.00 N ATOM 643 CA VAL A 76 22.201 -8.358 -2.899 1.00 0.00 C ATOM 644 C VAL A 76 21.453 -8.767 -4.171 1.00 0.00 C ATOM 645 O VAL A 76 21.397 -9.946 -4.495 1.00 0.00 O ATOM 646 CB VAL A 76 21.212 -7.953 -1.793 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.264 -9.118 -1.492 1.00 0.00 C ATOM 648 CG2 VAL A 76 21.980 -7.588 -0.517 1.00 0.00 C ATOM 0 H VAL A 76 22.948 -6.437 -2.564 1.00 0.00 H new ATOM 0 HA VAL A 76 22.781 -9.219 -2.566 1.00 0.00 H new ATOM 0 HB VAL A 76 20.637 -7.092 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.566 -8.826 -0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.709 -9.378 -2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 76 20.842 -9.981 -1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.274 -7.302 0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 76 22.561 -8.448 -0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 76 22.651 -6.754 -0.722 1.00 0.00 H new ATOM 658 N GLN A 77 20.872 -7.793 -4.882 1.00 0.00 N ATOM 659 CA GLN A 77 20.095 -8.069 -6.087 1.00 0.00 C ATOM 660 C GLN A 77 20.965 -8.731 -7.159 1.00 0.00 C ATOM 661 O GLN A 77 20.596 -9.774 -7.698 1.00 0.00 O ATOM 662 CB GLN A 77 19.491 -6.761 -6.609 1.00 0.00 C ATOM 663 CG GLN A 77 18.287 -6.371 -5.746 1.00 0.00 C ATOM 664 CD GLN A 77 17.867 -4.926 -6.006 1.00 0.00 C ATOM 665 OE1 GLN A 77 18.530 -3.997 -5.555 1.00 0.00 O ATOM 666 NE2 GLN A 77 16.766 -4.738 -6.734 1.00 0.00 N ATOM 0 H GLN A 77 20.928 -6.804 -4.639 1.00 0.00 H new ATOM 0 HA GLN A 77 19.291 -8.763 -5.842 1.00 0.00 H new ATOM 0 HB2 GLN A 77 20.239 -5.969 -6.587 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.183 -6.880 -7.648 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.452 -7.039 -5.958 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.536 -6.496 -4.692 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.246 -5.541 -7.089 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.444 -3.792 -6.936 1.00 0.00 H new ATOM 675 N CYS A 78 22.114 -8.124 -7.474 1.00 0.00 N ATOM 676 CA CYS A 78 23.010 -8.652 -8.498 1.00 0.00 C ATOM 677 C CYS A 78 23.497 -10.048 -8.107 1.00 0.00 C ATOM 678 O CYS A 78 23.458 -10.968 -8.921 1.00 0.00 O ATOM 679 CB CYS A 78 24.197 -7.705 -8.680 1.00 0.00 C ATOM 680 SG CYS A 78 23.634 -6.186 -9.488 1.00 0.00 S ATOM 0 H CYS A 78 22.442 -7.266 -7.032 1.00 0.00 H new ATOM 0 HA CYS A 78 22.469 -8.729 -9.441 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.643 -7.472 -7.713 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.970 -8.184 -9.280 1.00 0.00 H new ATOM 0 HG CYS A 78 23.345 -5.296 -8.586 1.00 0.00 H new ATOM 686 N GLN A 79 23.957 -10.200 -6.858 1.00 0.00 N ATOM 687 CA GLN A 79 24.454 -11.474 -6.361 1.00 0.00 C ATOM 688 C GLN A 79 23.360 -12.535 -6.457 1.00 0.00 C ATOM 689 O GLN A 79 23.613 -13.644 -6.924 1.00 0.00 O ATOM 690 CB GLN A 79 24.921 -11.307 -4.911 1.00 0.00 C ATOM 691 CG GLN A 79 25.606 -12.594 -4.431 1.00 0.00 C ATOM 692 CD GLN A 79 25.033 -13.057 -3.097 1.00 0.00 C ATOM 693 OE1 GLN A 79 24.211 -13.975 -3.052 1.00 0.00 O ATOM 694 NE2 GLN A 79 25.468 -12.421 -2.010 1.00 0.00 N ATOM 0 H GLN A 79 23.992 -9.444 -6.174 1.00 0.00 H new ATOM 0 HA GLN A 79 25.299 -11.799 -6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.612 -10.467 -4.837 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.070 -11.077 -4.270 1.00 0.00 H new ATOM 0 HG2 GLN A 79 25.477 -13.378 -5.177 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.678 -12.423 -4.330 1.00 0.00 H new ATOM 0 HE21 GLN A 79 26.149 -11.667 -2.099 1.00 0.00 H new ATOM 0 HE22 GLN A 79 25.120 -12.688 -1.089 1.00 0.00 H new ATOM 703 N HIS A 80 22.144 -12.193 -6.014 1.00 0.00 N ATOM 704 CA HIS A 80 21.023 -13.115 -6.061 1.00 0.00 C ATOM 705 C HIS A 80 20.778 -13.544 -7.499 1.00 0.00 C ATOM 706 O HIS A 80 20.499 -14.713 -7.754 1.00 0.00 O ATOM 707 CB HIS A 80 19.776 -12.458 -5.461 1.00 0.00 C ATOM 708 CG HIS A 80 19.787 -12.481 -3.955 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.644 -12.286 -3.190 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.791 -12.685 -3.042 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.018 -12.386 -1.898 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.320 -12.633 -1.740 1.00 0.00 N ATOM 0 H HIS A 80 21.920 -11.280 -5.619 1.00 0.00 H new ATOM 0 HA HIS A 80 21.253 -14.001 -5.470 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.710 -11.426 -5.806 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.886 -12.973 -5.824 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.823 -12.864 -3.306 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.331 -12.277 -1.072 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.842 -12.754 -0.872 1.00 0.00 H new ATOM 720 N ARG A 81 20.897 -12.609 -8.448 1.00 0.00 N ATOM 721 CA ARG A 81 20.724 -12.928 -9.853 1.00 0.00 C ATOM 722 C ARG A 81 22.021 -13.537 -10.404 1.00 0.00 C ATOM 723 O ARG A 81 22.454 -13.200 -11.502 1.00 0.00 O ATOM 724 CB ARG A 81 20.312 -11.663 -10.622 1.00 0.00 C ATOM 725 CG ARG A 81 19.774 -12.023 -12.023 1.00 0.00 C ATOM 726 CD ARG A 81 18.387 -12.667 -11.920 1.00 0.00 C ATOM 727 NE ARG A 81 17.846 -12.944 -13.256 1.00 0.00 N ATOM 728 CZ ARG A 81 16.615 -13.437 -13.460 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.895 -13.896 -12.429 1.00 0.00 N ATOM 730 NH2 ARG A 81 16.106 -13.472 -14.697 1.00 0.00 N ATOM 0 H ARG A 81 21.112 -11.630 -8.260 1.00 0.00 H new ATOM 0 HA ARG A 81 19.930 -13.665 -9.977 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.548 -11.124 -10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.168 -10.995 -10.717 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.719 -11.125 -12.639 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.463 -12.708 -12.518 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.452 -13.593 -11.349 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.712 -12.005 -11.378 1.00 0.00 H new ATOM 0 HE ARG A 81 18.434 -12.753 -14.068 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.282 -13.871 -11.486 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.959 -14.270 -12.587 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.654 -13.124 -15.484 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.170 -13.847 -14.853 1.00 0.00 H new ATOM 744 N TRP A 82 22.631 -14.452 -9.639 1.00 0.00 N ATOM 745 CA TRP A 82 23.816 -15.157 -10.081 1.00 0.00 C ATOM 746 C TRP A 82 24.101 -16.337 -9.155 1.00 0.00 C ATOM 747 O TRP A 82 23.900 -17.485 -9.539 1.00 0.00 O ATOM 748 CB TRP A 82 25.031 -14.223 -10.172 1.00 0.00 C ATOM 749 CG TRP A 82 26.130 -14.823 -10.983 1.00 0.00 C ATOM 750 CD1 TRP A 82 27.155 -15.546 -10.505 1.00 0.00 C ATOM 751 CD2 TRP A 82 26.287 -14.840 -12.431 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.925 -16.040 -11.529 1.00 0.00 N ATOM 753 CE2 TRP A 82 27.426 -15.640 -12.754 1.00 0.00 C ATOM 754 CE3 TRP A 82 25.569 -14.286 -13.515 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.814 -15.891 -14.071 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.968 -14.530 -14.844 1.00 0.00 C ATOM 757 CH2 TRP A 82 27.084 -15.334 -15.119 1.00 0.00 C ATOM 0 H TRP A 82 22.312 -14.714 -8.707 1.00 0.00 H new ATOM 0 HA TRP A 82 23.628 -15.537 -11.085 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.728 -13.274 -10.615 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.397 -14.004 -9.169 1.00 0.00 H new ATOM 0 HD1 TRP A 82 27.348 -15.716 -9.456 1.00 0.00 H new ATOM 0 HE1 TRP A 82 28.753 -16.623 -11.403 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.704 -13.668 -13.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 28.673 -16.512 -14.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 25.409 -14.094 -15.659 1.00 0.00 H new ATOM 0 HH2 TRP A 82 27.377 -15.521 -16.142 1.00 0.00 H new ATOM 768 N GLN A 83 24.570 -16.060 -7.937 1.00 0.00 N ATOM 769 CA GLN A 83 24.908 -17.107 -6.983 1.00 0.00 C ATOM 770 C GLN A 83 23.691 -17.989 -6.694 1.00 0.00 C ATOM 771 O GLN A 83 23.850 -19.135 -6.280 1.00 0.00 O ATOM 772 CB GLN A 83 25.431 -16.468 -5.690 1.00 0.00 C ATOM 773 CG GLN A 83 26.791 -15.799 -5.938 1.00 0.00 C ATOM 774 CD GLN A 83 27.911 -16.834 -6.024 1.00 0.00 C ATOM 775 OE1 GLN A 83 28.533 -17.159 -5.018 1.00 0.00 O ATOM 776 NE2 GLN A 83 28.169 -17.348 -7.227 1.00 0.00 N ATOM 0 H GLN A 83 24.723 -15.113 -7.591 1.00 0.00 H new ATOM 0 HA GLN A 83 25.686 -17.741 -7.410 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.716 -15.730 -5.326 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.528 -17.228 -4.914 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.753 -15.224 -6.863 1.00 0.00 H new ATOM 0 HG3 GLN A 83 27.004 -15.095 -5.134 1.00 0.00 H new ATOM 0 HE21 GLN A 83 27.626 -17.048 -8.037 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.909 -18.041 -7.337 1.00 0.00 H new ATOM 785 N LYS A 84 22.479 -17.456 -6.909 1.00 0.00 N ATOM 786 CA LYS A 84 21.253 -18.199 -6.659 1.00 0.00 C ATOM 787 C LYS A 84 20.689 -18.782 -7.969 1.00 0.00 C ATOM 788 O LYS A 84 19.757 -19.582 -7.922 1.00 0.00 O ATOM 789 CB LYS A 84 20.230 -17.264 -5.990 1.00 0.00 C ATOM 790 CG LYS A 84 19.849 -17.804 -4.605 1.00 0.00 C ATOM 791 CD LYS A 84 20.955 -17.472 -3.591 1.00 0.00 C ATOM 792 CE LYS A 84 20.722 -16.071 -3.011 1.00 0.00 C ATOM 793 NZ LYS A 84 21.891 -15.606 -2.239 1.00 0.00 N ATOM 0 H LYS A 84 22.330 -16.509 -7.257 1.00 0.00 H new ATOM 0 HA LYS A 84 21.466 -19.036 -5.994 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.649 -16.262 -5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.340 -17.180 -6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.904 -17.367 -4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.701 -18.883 -4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 84 20.961 -18.211 -2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 84 21.931 -17.518 -4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 84 20.516 -15.370 -3.820 1.00 0.00 H new ATOM 0 HE3 LYS A 84 19.841 -16.083 -2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 21.569 -15.037 -1.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 22.427 -16.427 -1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 22.502 -15.026 -2.849 1.00 0.00 H new ATOM 807 N VAL A 85 21.247 -18.385 -9.136 1.00 0.00 N ATOM 808 CA VAL A 85 20.768 -18.877 -10.433 1.00 0.00 C ATOM 809 C VAL A 85 21.939 -19.037 -11.424 1.00 0.00 C ATOM 810 O VAL A 85 22.494 -20.128 -11.537 1.00 0.00 O ATOM 811 CB VAL A 85 19.679 -17.936 -10.998 1.00 0.00 C ATOM 812 CG1 VAL A 85 18.295 -18.412 -10.546 1.00 0.00 C ATOM 813 CG2 VAL A 85 19.896 -16.496 -10.515 1.00 0.00 C ATOM 0 H VAL A 85 22.025 -17.728 -9.198 1.00 0.00 H new ATOM 0 HA VAL A 85 20.322 -19.861 -10.288 1.00 0.00 H new ATOM 0 HB VAL A 85 19.743 -17.957 -12.086 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.532 -17.745 -10.947 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.121 -19.424 -10.912 1.00 0.00 H new ATOM 0 HG13 VAL A 85 18.246 -18.406 -9.457 1.00 0.00 H new ATOM 0 HG21 VAL A 85 19.117 -15.853 -10.926 1.00 0.00 H new ATOM 0 HG22 VAL A 85 19.853 -16.467 -9.426 1.00 0.00 H new ATOM 0 HG23 VAL A 85 20.872 -16.143 -10.849 1.00 0.00 H new ATOM 823 N LEU A 86 22.307 -17.960 -12.152 1.00 0.00 N ATOM 824 CA LEU A 86 23.381 -18.023 -13.147 1.00 0.00 C ATOM 825 C LEU A 86 24.694 -18.416 -12.476 1.00 0.00 C ATOM 826 O LEU A 86 25.313 -17.596 -11.812 1.00 0.00 O ATOM 827 CB LEU A 86 23.575 -16.655 -13.836 1.00 0.00 C ATOM 828 CG LEU A 86 22.383 -16.229 -14.714 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.841 -17.413 -15.505 1.00 0.00 C ATOM 830 CD2 LEU A 86 21.275 -15.613 -13.857 1.00 0.00 C ATOM 0 H LEU A 86 21.872 -17.042 -12.064 1.00 0.00 H new ATOM 0 HA LEU A 86 23.100 -18.767 -13.892 1.00 0.00 H new ATOM 0 HB2 LEU A 86 23.743 -15.895 -13.073 1.00 0.00 H new ATOM 0 HB3 LEU A 86 24.473 -16.693 -14.452 1.00 0.00 H new ATOM 0 HG LEU A 86 22.736 -15.477 -15.419 1.00 0.00 H new ATOM 0 HD11 LEU A 86 21.000 -17.087 -16.117 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.626 -17.811 -16.149 1.00 0.00 H new ATOM 0 HD13 LEU A 86 21.509 -18.189 -14.816 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.442 -15.319 -14.496 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.931 -16.345 -13.126 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.662 -14.736 -13.338 1.00 0.00 H new ATOM 842 N ASN A 87 25.130 -19.663 -12.657 1.00 0.00 N ATOM 843 CA ASN A 87 26.382 -20.119 -12.079 1.00 0.00 C ATOM 844 C ASN A 87 26.927 -21.299 -12.887 1.00 0.00 C ATOM 845 O ASN A 87 26.665 -22.452 -12.547 1.00 0.00 O ATOM 846 CB ASN A 87 26.152 -20.514 -10.613 1.00 0.00 C ATOM 847 CG ASN A 87 27.464 -20.916 -9.939 1.00 0.00 C ATOM 848 OD1 ASN A 87 28.118 -20.091 -9.305 1.00 0.00 O ATOM 849 ND2 ASN A 87 27.847 -22.185 -10.076 1.00 0.00 N ATOM 0 H ASN A 87 24.632 -20.369 -13.199 1.00 0.00 H new ATOM 0 HA ASN A 87 27.119 -19.316 -12.111 1.00 0.00 H new ATOM 0 HB2 ASN A 87 25.704 -19.679 -10.074 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.445 -21.342 -10.563 1.00 0.00 H new ATOM 0 HD21 ASN A 87 28.714 -22.505 -9.645 1.00 0.00 H new ATOM 0 HD22 ASN A 87 27.273 -22.836 -10.611 1.00 0.00 H new ATOM 856 N PRO A 88 27.689 -21.017 -13.962 1.00 0.00 N ATOM 857 CA PRO A 88 28.284 -22.049 -14.781 1.00 0.00 C ATOM 858 C PRO A 88 29.358 -22.779 -13.978 1.00 0.00 C ATOM 859 O PRO A 88 29.262 -23.984 -13.760 1.00 0.00 O ATOM 860 CB PRO A 88 28.877 -21.328 -15.997 1.00 0.00 C ATOM 861 CG PRO A 88 28.769 -19.823 -15.715 1.00 0.00 C ATOM 862 CD PRO A 88 27.994 -19.672 -14.405 1.00 0.00 C ATOM 0 HA PRO A 88 27.562 -22.801 -15.100 1.00 0.00 H new ATOM 0 HB2 PRO A 88 29.916 -21.619 -16.150 1.00 0.00 H new ATOM 0 HB3 PRO A 88 28.335 -21.591 -16.905 1.00 0.00 H new ATOM 0 HG2 PRO A 88 29.759 -19.373 -15.632 1.00 0.00 H new ATOM 0 HG3 PRO A 88 28.254 -19.313 -16.529 1.00 0.00 H new ATOM 0 HD2 PRO A 88 28.587 -19.141 -13.660 1.00 0.00 H new ATOM 0 HD3 PRO A 88 27.082 -19.095 -14.556 1.00 0.00 H new ATOM 870 N GLU A 89 30.379 -22.032 -13.535 1.00 0.00 N ATOM 871 CA GLU A 89 31.465 -22.588 -12.744 1.00 0.00 C ATOM 872 C GLU A 89 31.093 -22.525 -11.264 1.00 0.00 C ATOM 873 O GLU A 89 31.098 -23.540 -10.573 1.00 0.00 O ATOM 874 CB GLU A 89 32.757 -21.799 -13.013 1.00 0.00 C ATOM 875 CG GLU A 89 33.016 -21.686 -14.522 1.00 0.00 C ATOM 876 CD GLU A 89 33.038 -23.058 -15.187 1.00 0.00 C ATOM 877 OE1 GLU A 89 33.912 -23.863 -14.798 1.00 0.00 O ATOM 878 OE2 GLU A 89 32.181 -23.273 -16.071 1.00 0.00 O ATOM 0 H GLU A 89 30.467 -21.032 -13.718 1.00 0.00 H new ATOM 0 HA GLU A 89 31.632 -23.629 -13.022 1.00 0.00 H new ATOM 0 HB2 GLU A 89 32.679 -20.803 -12.576 1.00 0.00 H new ATOM 0 HB3 GLU A 89 33.599 -22.294 -12.530 1.00 0.00 H new ATOM 0 HG2 GLU A 89 32.242 -21.070 -14.980 1.00 0.00 H new ATOM 0 HG3 GLU A 89 33.967 -21.182 -14.693 1.00 0.00 H new HETATM 885 N NH2 A 90 30.768 -21.325 -10.778 1.00 0.00 N TER 888 NH2 A 90