USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 938 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 70 LYS NZ :NH3+ -161:sc= -0.312 (180deg=-1.37!) USER MOD Set 1.2: A 92 SER OG : rot 141:sc= -0.024 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0614 USER MOD Single : A 14 SER OG : rot 180:sc= 0.101 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -88:sc= -2.14! USER MOD Single : A 31 THR OG1 : rot 178:sc= 0.643 USER MOD Single : A 32 THR OG1 : rot -18:sc= -4.76! USER MOD Single : A 35 ASN : amide:sc= -0.0161 X(o=-0.016,f=-0.21) USER MOD Single : A 37 ASN : amide:sc= -0.0715 K(o=-0.072,f=-2.2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -170:sc= -0.668! USER MOD Single : A 57 MET CE :methyl -170:sc= -0.118 (180deg=-0.297) USER MOD Single : A 60 MET CE :methyl -165:sc=-0.00433 (180deg=-0.394) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0832 X(o=-0.083,f=-0.038) USER MOD Single : A 71 GLN : amide:sc= -0.777 K(o=-0.78,f=-0.12) USER MOD Single : A 73 HIS : no HE2:sc= -10.6! C(o=-11!,f=-11!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 168:sc= 0 (180deg=-0.128) USER MOD Single : A 82 THR OG1 : rot -160:sc= -1.16! USER MOD Single : A 84 HIS : no HD1:sc= -1.04 K(o=-1,f=-0.26) USER MOD Single : A 85 SER OG : rot -68:sc= 1.08 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.111 K(o=-0.11,f=-0.78) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot 39:sc= -3.14 USER MOD Single : A 104 LYS NZ :NH3+ -150:sc= -0.246 (180deg=-1.65!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.0886 K(o=-0.089,f=-0.65) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.801 K(o=-0.8,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 -9.095 -13.193 -13.646 1.00 0.00 N ATOM 38 CA ARG A 3 -8.557 -13.639 -12.329 1.00 0.00 C ATOM 39 C ARG A 3 -7.284 -12.852 -12.007 1.00 0.00 C ATOM 40 O ARG A 3 -6.319 -12.889 -12.743 1.00 0.00 O ATOM 41 CB ARG A 3 -8.229 -15.133 -12.396 1.00 0.00 C ATOM 42 CG ARG A 3 -7.159 -15.375 -13.464 1.00 0.00 C ATOM 43 CD ARG A 3 -7.597 -16.523 -14.376 1.00 0.00 C ATOM 44 NE ARG A 3 -6.818 -16.477 -15.646 1.00 0.00 N ATOM 45 CZ ARG A 3 -6.449 -17.586 -16.227 1.00 0.00 C ATOM 46 NH1 ARG A 3 -7.346 -18.389 -16.730 1.00 0.00 N ATOM 47 NH2 ARG A 3 -5.183 -17.892 -16.304 1.00 0.00 N ATOM 0 HA ARG A 3 -9.300 -13.463 -11.551 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.875 -15.482 -11.426 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.128 -15.703 -12.631 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.004 -14.469 -14.051 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.207 -15.615 -12.992 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.440 -17.479 -13.876 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.663 -16.446 -14.588 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.573 -15.578 -16.061 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.336 -18.150 -16.669 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.057 -19.256 -17.184 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.482 -17.265 -15.910 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.894 -18.759 -16.758 1.00 0.00 H new ATOM 61 N GLY A 4 -7.271 -12.141 -10.911 1.00 0.00 N ATOM 62 CA GLY A 4 -6.053 -11.359 -10.552 1.00 0.00 C ATOM 63 C GLY A 4 -6.377 -10.368 -9.430 1.00 0.00 C ATOM 64 O GLY A 4 -7.500 -9.929 -9.277 1.00 0.00 O ATOM 0 H GLY A 4 -8.046 -12.068 -10.252 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.258 -12.034 -10.234 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.684 -10.823 -11.427 1.00 0.00 H new ATOM 68 N ILE A 5 -5.395 -10.010 -8.645 1.00 0.00 N ATOM 69 CA ILE A 5 -5.632 -9.046 -7.533 1.00 0.00 C ATOM 70 C ILE A 5 -4.674 -7.862 -7.682 1.00 0.00 C ATOM 71 O ILE A 5 -3.484 -8.034 -7.867 1.00 0.00 O ATOM 72 CB ILE A 5 -5.367 -9.727 -6.187 1.00 0.00 C ATOM 73 CG1 ILE A 5 -5.937 -11.142 -6.186 1.00 0.00 C ATOM 74 CG2 ILE A 5 -6.028 -8.930 -5.063 1.00 0.00 C ATOM 75 CD1 ILE A 5 -4.929 -12.096 -5.547 1.00 0.00 C ATOM 0 H ILE A 5 -4.435 -10.346 -8.728 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.666 -8.703 -7.571 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.289 -9.769 -6.030 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.877 -11.167 -5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.157 -11.458 -7.206 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.836 -9.420 -4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.617 -7.921 -5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.103 -8.881 -5.236 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.335 -13.107 -5.546 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.000 -12.079 -6.117 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.731 -11.783 -4.522 1.00 0.00 H new ATOM 87 N VAL A 6 -5.181 -6.663 -7.593 1.00 0.00 N ATOM 88 CA VAL A 6 -4.301 -5.467 -7.721 1.00 0.00 C ATOM 89 C VAL A 6 -4.517 -4.563 -6.504 1.00 0.00 C ATOM 90 O VAL A 6 -5.578 -3.995 -6.333 1.00 0.00 O ATOM 91 CB VAL A 6 -4.660 -4.710 -9.017 1.00 0.00 C ATOM 92 CG1 VAL A 6 -4.461 -3.197 -8.842 1.00 0.00 C ATOM 93 CG2 VAL A 6 -3.762 -5.195 -10.154 1.00 0.00 C ATOM 0 H VAL A 6 -6.168 -6.460 -7.437 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.255 -5.769 -7.765 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.707 -4.905 -9.248 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.721 -2.686 -9.769 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.102 -2.836 -8.037 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.419 -2.993 -8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.015 -4.661 -11.070 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.719 -5.006 -9.900 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.911 -6.264 -10.304 1.00 0.00 H new ATOM 103 N TRP A 7 -3.534 -4.413 -5.654 1.00 0.00 N ATOM 104 CA TRP A 7 -3.743 -3.529 -4.480 1.00 0.00 C ATOM 105 C TRP A 7 -3.097 -2.174 -4.774 1.00 0.00 C ATOM 106 O TRP A 7 -1.947 -1.932 -4.475 1.00 0.00 O ATOM 107 CB TRP A 7 -3.155 -4.187 -3.232 1.00 0.00 C ATOM 108 CG TRP A 7 -4.144 -5.198 -2.740 1.00 0.00 C ATOM 109 CD1 TRP A 7 -4.763 -6.111 -3.527 1.00 0.00 C ATOM 110 CD2 TRP A 7 -4.657 -5.411 -1.390 1.00 0.00 C ATOM 111 NE1 TRP A 7 -5.614 -6.871 -2.750 1.00 0.00 N ATOM 112 CE2 TRP A 7 -5.586 -6.479 -1.428 1.00 0.00 C ATOM 113 CE3 TRP A 7 -4.411 -4.793 -0.152 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -6.246 -6.917 -0.282 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -5.075 -5.233 1.006 1.00 0.00 C ATOM 116 CH2 TRP A 7 -5.992 -6.293 0.939 1.00 0.00 C ATOM 0 H TRP A 7 -2.617 -4.855 -5.722 1.00 0.00 H new ATOM 0 HA TRP A 7 -4.805 -3.372 -4.293 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.203 -4.665 -3.464 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.957 -3.440 -2.463 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -4.615 -6.226 -4.591 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -6.193 -7.630 -3.110 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.708 -3.976 -0.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.950 -7.734 -0.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -4.878 -4.752 1.953 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -6.500 -6.625 1.832 1.00 0.00 H new ATOM 127 N VAL A 8 -3.837 -1.302 -5.406 1.00 0.00 N ATOM 128 CA VAL A 8 -3.293 0.034 -5.786 1.00 0.00 C ATOM 129 C VAL A 8 -3.399 1.023 -4.622 1.00 0.00 C ATOM 130 O VAL A 8 -4.180 0.849 -3.708 1.00 0.00 O ATOM 131 CB VAL A 8 -4.097 0.564 -6.975 1.00 0.00 C ATOM 132 CG1 VAL A 8 -3.524 1.905 -7.434 1.00 0.00 C ATOM 133 CG2 VAL A 8 -4.027 -0.440 -8.123 1.00 0.00 C ATOM 0 H VAL A 8 -4.807 -1.461 -5.678 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.240 -0.072 -6.047 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.135 0.703 -6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.101 2.277 -8.281 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.577 2.623 -6.615 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.484 1.773 -7.734 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.599 -0.064 -8.971 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.988 -0.581 -8.420 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.444 -1.393 -7.798 1.00 0.00 H new ATOM 143 N VAL A 9 -2.617 2.072 -4.665 1.00 0.00 N ATOM 144 CA VAL A 9 -2.661 3.099 -3.583 1.00 0.00 C ATOM 145 C VAL A 9 -3.597 4.231 -4.016 1.00 0.00 C ATOM 146 O VAL A 9 -3.399 4.851 -5.043 1.00 0.00 O ATOM 147 CB VAL A 9 -1.250 3.656 -3.350 1.00 0.00 C ATOM 148 CG1 VAL A 9 -1.330 4.993 -2.606 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.441 2.662 -2.514 1.00 0.00 C ATOM 0 H VAL A 9 -1.946 2.261 -5.409 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.026 2.652 -2.658 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.765 3.809 -4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.324 5.381 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.903 5.706 -3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.820 4.845 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.561 3.057 -2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.934 2.508 -1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.373 1.712 -3.043 1.00 0.00 H new ATOM 159 N ASP A 10 -4.620 4.501 -3.249 1.00 0.00 N ATOM 160 CA ASP A 10 -5.569 5.582 -3.625 1.00 0.00 C ATOM 161 C ASP A 10 -5.402 6.776 -2.683 1.00 0.00 C ATOM 162 O ASP A 10 -4.476 6.840 -1.900 1.00 0.00 O ATOM 163 CB ASP A 10 -6.994 5.045 -3.517 1.00 0.00 C ATOM 164 CG ASP A 10 -7.363 4.308 -4.805 1.00 0.00 C ATOM 165 OD1 ASP A 10 -6.455 3.867 -5.490 1.00 0.00 O ATOM 166 OD2 ASP A 10 -8.544 4.199 -5.085 1.00 0.00 O ATOM 0 H ASP A 10 -4.837 4.017 -2.378 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.367 5.906 -4.646 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.076 4.371 -2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.690 5.865 -3.343 1.00 0.00 H new ATOM 171 N ASP A 11 -6.298 7.724 -2.755 1.00 0.00 N ATOM 172 CA ASP A 11 -6.201 8.916 -1.867 1.00 0.00 C ATOM 173 C ASP A 11 -7.176 8.761 -0.697 1.00 0.00 C ATOM 174 O ASP A 11 -6.790 8.799 0.455 1.00 0.00 O ATOM 175 CB ASP A 11 -6.556 10.174 -2.664 1.00 0.00 C ATOM 176 CG ASP A 11 -6.232 11.416 -1.831 1.00 0.00 C ATOM 177 OD1 ASP A 11 -6.149 11.288 -0.620 1.00 0.00 O ATOM 178 OD2 ASP A 11 -6.076 12.473 -2.418 1.00 0.00 O ATOM 0 H ASP A 11 -7.094 7.723 -3.392 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.184 9.003 -1.483 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.996 10.195 -3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -7.614 10.165 -2.926 1.00 0.00 H new ATOM 183 N ASP A 12 -8.439 8.587 -0.983 1.00 0.00 N ATOM 184 CA ASP A 12 -9.438 8.432 0.115 1.00 0.00 C ATOM 185 C ASP A 12 -10.319 7.210 -0.153 1.00 0.00 C ATOM 186 O ASP A 12 -10.233 6.583 -1.190 1.00 0.00 O ATOM 187 CB ASP A 12 -10.312 9.685 0.187 1.00 0.00 C ATOM 188 CG ASP A 12 -10.305 10.232 1.617 1.00 0.00 C ATOM 189 OD1 ASP A 12 -9.260 10.691 2.048 1.00 0.00 O ATOM 190 OD2 ASP A 12 -11.344 10.186 2.253 1.00 0.00 O ATOM 0 H ASP A 12 -8.822 8.546 -1.928 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.914 8.296 1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.940 10.441 -0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -11.331 9.448 -0.118 1.00 0.00 H new ATOM 195 N SER A 13 -11.162 6.867 0.783 1.00 0.00 N ATOM 196 CA SER A 13 -12.051 5.683 0.600 1.00 0.00 C ATOM 197 C SER A 13 -12.920 5.870 -0.645 1.00 0.00 C ATOM 198 O SER A 13 -13.121 4.952 -1.415 1.00 0.00 O ATOM 199 CB SER A 13 -12.949 5.533 1.829 1.00 0.00 C ATOM 200 OG SER A 13 -13.198 6.816 2.389 1.00 0.00 O ATOM 0 H SER A 13 -11.274 7.358 1.670 1.00 0.00 H new ATOM 0 HA SER A 13 -11.440 4.789 0.477 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.889 5.056 1.551 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.471 4.888 2.566 1.00 0.00 H new ATOM 0 HG SER A 13 -13.775 6.723 3.176 1.00 0.00 H new ATOM 206 N SER A 14 -13.436 7.049 -0.852 1.00 0.00 N ATOM 207 CA SER A 14 -14.289 7.283 -2.051 1.00 0.00 C ATOM 208 C SER A 14 -13.520 6.855 -3.299 1.00 0.00 C ATOM 209 O SER A 14 -14.097 6.452 -4.289 1.00 0.00 O ATOM 210 CB SER A 14 -14.641 8.768 -2.146 1.00 0.00 C ATOM 211 OG SER A 14 -13.665 9.528 -1.445 1.00 0.00 O ATOM 0 H SER A 14 -13.305 7.858 -0.245 1.00 0.00 H new ATOM 0 HA SER A 14 -15.208 6.703 -1.970 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.679 9.078 -3.190 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.630 8.947 -1.724 1.00 0.00 H new ATOM 0 HG SER A 14 -13.887 10.481 -1.505 1.00 0.00 H new ATOM 217 N ILE A 15 -12.218 6.928 -3.254 1.00 0.00 N ATOM 218 CA ILE A 15 -11.407 6.516 -4.430 1.00 0.00 C ATOM 219 C ILE A 15 -11.475 4.991 -4.557 1.00 0.00 C ATOM 220 O ILE A 15 -11.599 4.447 -5.641 1.00 0.00 O ATOM 221 CB ILE A 15 -9.959 6.964 -4.216 1.00 0.00 C ATOM 222 CG1 ILE A 15 -9.929 8.467 -3.929 1.00 0.00 C ATOM 223 CG2 ILE A 15 -9.140 6.672 -5.474 1.00 0.00 C ATOM 224 CD1 ILE A 15 -10.615 9.220 -5.070 1.00 0.00 C ATOM 0 H ILE A 15 -11.682 7.256 -2.451 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.790 6.974 -5.342 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.533 6.421 -3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -10.433 8.678 -2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.899 8.807 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.109 6.992 -5.320 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.161 5.602 -5.682 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.565 7.214 -6.319 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.593 10.290 -4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -10.092 9.019 -6.005 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.650 8.888 -5.155 1.00 0.00 H new ATOM 236 N ARG A 16 -11.417 4.303 -3.447 1.00 0.00 N ATOM 237 CA ARG A 16 -11.501 2.816 -3.480 1.00 0.00 C ATOM 238 C ARG A 16 -12.779 2.424 -4.217 1.00 0.00 C ATOM 239 O ARG A 16 -12.771 1.608 -5.119 1.00 0.00 O ATOM 240 CB ARG A 16 -11.564 2.283 -2.044 1.00 0.00 C ATOM 241 CG ARG A 16 -11.983 0.810 -2.058 1.00 0.00 C ATOM 242 CD ARG A 16 -11.701 0.186 -0.690 1.00 0.00 C ATOM 243 NE ARG A 16 -12.957 -0.396 -0.141 1.00 0.00 N ATOM 244 CZ ARG A 16 -13.218 -0.301 1.135 1.00 0.00 C ATOM 245 NH1 ARG A 16 -13.496 0.862 1.660 1.00 0.00 N ATOM 246 NH2 ARG A 16 -13.204 -1.368 1.887 1.00 0.00 N ATOM 0 H ARG A 16 -11.315 4.710 -2.517 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.630 2.399 -3.985 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.592 2.390 -1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.275 2.868 -1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -13.043 0.725 -2.297 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.437 0.273 -2.834 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.939 -0.588 -0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.309 0.941 -0.008 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.614 -0.869 -0.762 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.509 1.696 1.073 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.700 0.936 2.657 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.989 -2.277 1.478 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.408 -1.292 2.884 1.00 0.00 H new ATOM 260 N TRP A 17 -13.880 3.015 -3.836 1.00 0.00 N ATOM 261 CA TRP A 17 -15.172 2.703 -4.501 1.00 0.00 C ATOM 262 C TRP A 17 -15.031 2.931 -6.005 1.00 0.00 C ATOM 263 O TRP A 17 -15.234 2.037 -6.793 1.00 0.00 O ATOM 264 CB TRP A 17 -16.260 3.625 -3.951 1.00 0.00 C ATOM 265 CG TRP A 17 -17.566 3.296 -4.599 1.00 0.00 C ATOM 266 CD1 TRP A 17 -18.116 2.062 -4.662 1.00 0.00 C ATOM 267 CD2 TRP A 17 -18.494 4.192 -5.276 1.00 0.00 C ATOM 268 NE1 TRP A 17 -19.322 2.143 -5.334 1.00 0.00 N ATOM 269 CE2 TRP A 17 -19.599 3.436 -5.733 1.00 0.00 C ATOM 270 CE3 TRP A 17 -18.484 5.575 -5.537 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -20.657 4.029 -6.422 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -19.549 6.175 -6.230 1.00 0.00 C ATOM 273 CH2 TRP A 17 -20.632 5.403 -6.673 1.00 0.00 C ATOM 0 H TRP A 17 -13.937 3.705 -3.087 1.00 0.00 H new ATOM 0 HA TRP A 17 -15.442 1.664 -4.310 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -16.338 3.508 -2.870 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -16.000 4.666 -4.141 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -17.684 1.160 -4.254 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -19.932 1.346 -5.513 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -17.653 6.179 -5.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -21.490 3.430 -6.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -19.533 7.238 -6.423 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -21.446 5.870 -7.208 1.00 0.00 H new ATOM 284 N VAL A 18 -14.708 4.131 -6.402 1.00 0.00 N ATOM 285 CA VAL A 18 -14.569 4.450 -7.855 1.00 0.00 C ATOM 286 C VAL A 18 -13.968 3.263 -8.622 1.00 0.00 C ATOM 287 O VAL A 18 -14.627 2.616 -9.420 1.00 0.00 O ATOM 288 CB VAL A 18 -13.640 5.659 -7.993 1.00 0.00 C ATOM 289 CG1 VAL A 18 -13.205 5.821 -9.451 1.00 0.00 C ATOM 290 CG2 VAL A 18 -14.379 6.920 -7.542 1.00 0.00 C ATOM 0 H VAL A 18 -14.532 4.916 -5.774 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.553 4.664 -8.271 1.00 0.00 H new ATOM 0 HB VAL A 18 -12.758 5.505 -7.371 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.544 6.683 -9.540 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.677 4.924 -9.775 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -14.084 5.971 -10.078 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.720 7.783 -7.639 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.262 7.066 -8.164 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.683 6.811 -6.501 1.00 0.00 H new ATOM 300 N LEU A 19 -12.710 2.989 -8.401 1.00 0.00 N ATOM 301 CA LEU A 19 -12.051 1.865 -9.128 1.00 0.00 C ATOM 302 C LEU A 19 -12.825 0.565 -8.914 1.00 0.00 C ATOM 303 O LEU A 19 -13.462 0.061 -9.817 1.00 0.00 O ATOM 304 CB LEU A 19 -10.620 1.696 -8.614 1.00 0.00 C ATOM 305 CG LEU A 19 -9.648 1.750 -9.794 1.00 0.00 C ATOM 306 CD1 LEU A 19 -9.792 3.093 -10.513 1.00 0.00 C ATOM 307 CD2 LEU A 19 -8.215 1.600 -9.281 1.00 0.00 C ATOM 0 H LEU A 19 -12.110 3.495 -7.749 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.037 2.095 -10.193 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.384 2.483 -7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.520 0.746 -8.089 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.874 0.940 -10.487 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.099 3.132 -11.354 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.813 3.202 -10.879 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.566 3.903 -9.819 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.522 1.638 -10.121 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.990 2.410 -8.588 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.110 0.644 -8.768 1.00 0.00 H new ATOM 319 N GLU A 20 -12.742 0.008 -7.737 1.00 0.00 N ATOM 320 CA GLU A 20 -13.443 -1.281 -7.443 1.00 0.00 C ATOM 321 C GLU A 20 -14.780 -1.361 -8.189 1.00 0.00 C ATOM 322 O GLU A 20 -15.235 -2.429 -8.549 1.00 0.00 O ATOM 323 CB GLU A 20 -13.700 -1.372 -5.938 1.00 0.00 C ATOM 324 CG GLU A 20 -13.836 -2.839 -5.531 1.00 0.00 C ATOM 325 CD GLU A 20 -15.208 -3.362 -5.957 1.00 0.00 C ATOM 326 OE1 GLU A 20 -16.162 -2.606 -5.869 1.00 0.00 O ATOM 327 OE2 GLU A 20 -15.283 -4.510 -6.363 1.00 0.00 O ATOM 0 H GLU A 20 -12.213 0.394 -6.955 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.813 -2.107 -7.774 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.881 -0.906 -5.390 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.608 -0.826 -5.680 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.049 -3.431 -5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.715 -2.941 -4.453 1.00 0.00 H new ATOM 334 N ARG A 21 -15.406 -0.244 -8.430 1.00 0.00 N ATOM 335 CA ARG A 21 -16.703 -0.259 -9.158 1.00 0.00 C ATOM 336 C ARG A 21 -16.445 -0.678 -10.601 1.00 0.00 C ATOM 337 O ARG A 21 -17.007 -1.637 -11.090 1.00 0.00 O ATOM 338 CB ARG A 21 -17.323 1.140 -9.130 1.00 0.00 C ATOM 339 CG ARG A 21 -18.829 1.039 -9.383 1.00 0.00 C ATOM 340 CD ARG A 21 -19.189 1.815 -10.652 1.00 0.00 C ATOM 341 NE ARG A 21 -19.583 3.206 -10.291 1.00 0.00 N ATOM 342 CZ ARG A 21 -20.837 3.492 -10.069 1.00 0.00 C ATOM 343 NH1 ARG A 21 -21.625 2.596 -9.540 1.00 0.00 N ATOM 344 NH2 ARG A 21 -21.304 4.671 -10.379 1.00 0.00 N ATOM 0 H ARG A 21 -15.074 0.680 -8.154 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.390 -0.960 -8.684 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -17.137 1.612 -8.165 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -16.858 1.770 -9.888 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -19.121 -0.006 -9.488 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -19.379 1.439 -8.531 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -18.339 1.832 -11.334 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -20.007 1.318 -11.175 1.00 0.00 H new ATOM 0 HE ARG A 21 -18.873 3.934 -10.217 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -21.261 1.674 -9.301 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -22.605 2.818 -9.366 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -20.689 5.370 -10.795 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -22.284 4.893 -10.205 1.00 0.00 H new ATOM 358 N ALA A 22 -15.583 0.025 -11.282 1.00 0.00 N ATOM 359 CA ALA A 22 -15.279 -0.350 -12.692 1.00 0.00 C ATOM 360 C ALA A 22 -14.447 -1.638 -12.699 1.00 0.00 C ATOM 361 O ALA A 22 -14.147 -2.190 -13.739 1.00 0.00 O ATOM 362 CB ALA A 22 -14.491 0.775 -13.365 1.00 0.00 C ATOM 0 H ALA A 22 -15.079 0.837 -10.927 1.00 0.00 H new ATOM 0 HA ALA A 22 -16.209 -0.510 -13.238 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.270 0.498 -14.396 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.082 1.691 -13.354 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.558 0.939 -12.825 1.00 0.00 H new ATOM 368 N LEU A 23 -14.071 -2.121 -11.542 1.00 0.00 N ATOM 369 CA LEU A 23 -13.262 -3.370 -11.478 1.00 0.00 C ATOM 370 C LEU A 23 -14.174 -4.550 -11.134 1.00 0.00 C ATOM 371 O LEU A 23 -13.794 -5.703 -11.258 1.00 0.00 O ATOM 372 CB LEU A 23 -12.186 -3.218 -10.404 1.00 0.00 C ATOM 373 CG LEU A 23 -10.810 -3.205 -11.072 1.00 0.00 C ATOM 374 CD1 LEU A 23 -10.660 -4.448 -11.950 1.00 0.00 C ATOM 375 CD2 LEU A 23 -10.680 -1.951 -11.938 1.00 0.00 C ATOM 0 H LEU A 23 -14.291 -1.702 -10.639 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.788 -3.552 -12.443 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -12.341 -2.296 -9.844 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.249 -4.039 -9.689 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.032 -3.203 -10.308 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.680 -4.440 -12.427 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.757 -5.342 -11.334 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.436 -4.449 -12.715 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.700 -1.939 -12.416 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.457 -1.955 -12.703 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.790 -1.064 -11.313 1.00 0.00 H new ATOM 387 N ALA A 24 -15.378 -4.271 -10.712 1.00 0.00 N ATOM 388 CA ALA A 24 -16.321 -5.372 -10.375 1.00 0.00 C ATOM 389 C ALA A 24 -16.746 -6.054 -11.673 1.00 0.00 C ATOM 390 O ALA A 24 -16.793 -7.264 -11.767 1.00 0.00 O ATOM 391 CB ALA A 24 -17.552 -4.798 -9.668 1.00 0.00 C ATOM 0 H ALA A 24 -15.748 -3.329 -10.587 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.838 -6.091 -9.713 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.241 -5.607 -9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -17.243 -4.294 -8.752 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -18.049 -4.085 -10.325 1.00 0.00 H new ATOM 397 N GLY A 25 -17.042 -5.280 -12.684 1.00 0.00 N ATOM 398 CA GLY A 25 -17.447 -5.878 -13.983 1.00 0.00 C ATOM 399 C GLY A 25 -16.293 -6.725 -14.515 1.00 0.00 C ATOM 400 O GLY A 25 -16.479 -7.838 -14.966 1.00 0.00 O ATOM 0 H GLY A 25 -17.020 -4.260 -12.663 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.338 -6.492 -13.854 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.700 -5.094 -14.697 1.00 0.00 H new ATOM 404 N ALA A 26 -15.094 -6.209 -14.454 1.00 0.00 N ATOM 405 CA ALA A 26 -13.922 -6.985 -14.942 1.00 0.00 C ATOM 406 C ALA A 26 -13.840 -8.297 -14.159 1.00 0.00 C ATOM 407 O ALA A 26 -13.408 -9.312 -14.668 1.00 0.00 O ATOM 408 CB ALA A 26 -12.642 -6.173 -14.723 1.00 0.00 C ATOM 0 H ALA A 26 -14.878 -5.282 -14.086 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.032 -7.195 -16.006 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.784 -6.742 -15.081 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.709 -5.234 -15.272 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.521 -5.964 -13.660 1.00 0.00 H new ATOM 414 N GLY A 27 -14.267 -8.282 -12.925 1.00 0.00 N ATOM 415 CA GLY A 27 -14.232 -9.525 -12.104 1.00 0.00 C ATOM 416 C GLY A 27 -12.857 -9.695 -11.457 1.00 0.00 C ATOM 417 O GLY A 27 -12.261 -10.751 -11.525 1.00 0.00 O ATOM 0 H GLY A 27 -14.639 -7.460 -12.450 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.001 -9.482 -11.333 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.456 -10.389 -12.730 1.00 0.00 H new ATOM 421 N LEU A 28 -12.343 -8.674 -10.822 1.00 0.00 N ATOM 422 CA LEU A 28 -11.005 -8.818 -10.176 1.00 0.00 C ATOM 423 C LEU A 28 -11.062 -8.326 -8.733 1.00 0.00 C ATOM 424 O LEU A 28 -12.075 -7.850 -8.259 1.00 0.00 O ATOM 425 CB LEU A 28 -9.964 -8.002 -10.939 1.00 0.00 C ATOM 426 CG LEU A 28 -9.369 -8.854 -12.059 1.00 0.00 C ATOM 427 CD1 LEU A 28 -9.862 -8.337 -13.411 1.00 0.00 C ATOM 428 CD2 LEU A 28 -7.842 -8.770 -12.003 1.00 0.00 C ATOM 0 H LEU A 28 -12.784 -7.760 -10.723 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.727 -9.872 -10.191 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.423 -7.105 -11.355 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.177 -7.672 -10.261 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.681 -9.891 -11.934 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.437 -8.945 -14.210 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.950 -8.397 -13.449 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.551 -7.300 -13.540 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.415 -9.377 -12.801 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.530 -7.733 -12.129 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.492 -9.140 -11.039 1.00 0.00 H new ATOM 440 N THR A 29 -9.966 -8.431 -8.039 1.00 0.00 N ATOM 441 CA THR A 29 -9.921 -7.967 -6.625 1.00 0.00 C ATOM 442 C THR A 29 -9.312 -6.567 -6.589 1.00 0.00 C ATOM 443 O THR A 29 -8.153 -6.387 -6.267 1.00 0.00 O ATOM 444 CB THR A 29 -9.063 -8.923 -5.791 1.00 0.00 C ATOM 445 OG1 THR A 29 -9.648 -10.220 -5.807 1.00 0.00 O ATOM 446 CG2 THR A 29 -8.984 -8.415 -4.348 1.00 0.00 C ATOM 0 H THR A 29 -9.092 -8.821 -8.392 1.00 0.00 H new ATOM 0 HA THR A 29 -10.929 -7.946 -6.211 1.00 0.00 H new ATOM 0 HB THR A 29 -8.059 -8.971 -6.213 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.099 -10.833 -5.275 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.373 -9.096 -3.755 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.535 -7.422 -4.336 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.987 -8.365 -3.924 1.00 0.00 H new ATOM 454 N CYS A 30 -10.085 -5.576 -6.934 1.00 0.00 N ATOM 455 CA CYS A 30 -9.567 -4.182 -6.942 1.00 0.00 C ATOM 456 C CYS A 30 -9.472 -3.654 -5.513 1.00 0.00 C ATOM 457 O CYS A 30 -10.391 -3.043 -5.005 1.00 0.00 O ATOM 458 CB CYS A 30 -10.528 -3.310 -7.736 1.00 0.00 C ATOM 459 SG CYS A 30 -9.818 -1.659 -7.948 1.00 0.00 S ATOM 0 H CYS A 30 -11.061 -5.674 -7.213 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.576 -4.162 -7.395 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -10.724 -3.760 -8.709 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -11.485 -3.241 -7.218 1.00 0.00 H new ATOM 0 HG CYS A 30 -10.147 -0.912 -6.936 1.00 0.00 H new ATOM 465 N THR A 31 -8.368 -3.876 -4.862 1.00 0.00 N ATOM 466 CA THR A 31 -8.221 -3.377 -3.469 1.00 0.00 C ATOM 467 C THR A 31 -7.393 -2.092 -3.480 1.00 0.00 C ATOM 468 O THR A 31 -6.309 -2.047 -4.022 1.00 0.00 O ATOM 469 CB THR A 31 -7.515 -4.438 -2.623 1.00 0.00 C ATOM 470 OG1 THR A 31 -8.411 -5.514 -2.375 1.00 0.00 O ATOM 471 CG2 THR A 31 -7.070 -3.826 -1.294 1.00 0.00 C ATOM 0 H THR A 31 -7.562 -4.380 -5.232 1.00 0.00 H new ATOM 0 HA THR A 31 -9.204 -3.172 -3.044 1.00 0.00 H new ATOM 0 HB THR A 31 -6.640 -4.806 -3.159 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.953 -6.209 -1.857 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.568 -4.585 -0.694 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.384 -3.001 -1.485 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.941 -3.455 -0.754 1.00 0.00 H new ATOM 479 N THR A 32 -7.890 -1.044 -2.890 1.00 0.00 N ATOM 480 CA THR A 32 -7.112 0.224 -2.877 1.00 0.00 C ATOM 481 C THR A 32 -6.813 0.617 -1.432 1.00 0.00 C ATOM 482 O THR A 32 -7.452 0.156 -0.508 1.00 0.00 O ATOM 483 CB THR A 32 -7.913 1.335 -3.550 1.00 0.00 C ATOM 484 OG1 THR A 32 -9.052 1.639 -2.761 1.00 0.00 O ATOM 485 CG2 THR A 32 -8.357 0.881 -4.942 1.00 0.00 C ATOM 0 H THR A 32 -8.794 -1.009 -2.419 1.00 0.00 H new ATOM 0 HA THR A 32 -6.179 0.078 -3.421 1.00 0.00 H new ATOM 0 HB THR A 32 -7.290 2.224 -3.646 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.226 0.901 -2.140 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.929 1.677 -5.419 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.480 0.651 -5.547 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.979 -0.009 -4.853 1.00 0.00 H new ATOM 493 N PHE A 33 -5.845 1.463 -1.228 1.00 0.00 N ATOM 494 CA PHE A 33 -5.510 1.878 0.161 1.00 0.00 C ATOM 495 C PHE A 33 -5.329 3.396 0.212 1.00 0.00 C ATOM 496 O PHE A 33 -4.340 3.931 -0.247 1.00 0.00 O ATOM 497 CB PHE A 33 -4.223 1.179 0.602 1.00 0.00 C ATOM 498 CG PHE A 33 -4.577 0.006 1.484 1.00 0.00 C ATOM 499 CD1 PHE A 33 -5.325 -1.057 0.964 1.00 0.00 C ATOM 500 CD2 PHE A 33 -4.163 -0.020 2.822 1.00 0.00 C ATOM 501 CE1 PHE A 33 -5.659 -2.145 1.779 1.00 0.00 C ATOM 502 CE2 PHE A 33 -4.497 -1.109 3.638 1.00 0.00 C ATOM 503 CZ PHE A 33 -5.245 -2.171 3.116 1.00 0.00 C ATOM 0 H PHE A 33 -5.273 1.884 -1.960 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.319 1.596 0.835 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.662 0.839 -0.269 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.582 1.876 1.142 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.645 -1.038 -0.067 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.586 0.800 3.225 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.236 -2.964 1.376 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.177 -1.129 4.669 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.503 -3.010 3.745 1.00 0.00 H new ATOM 513 N GLU A 34 -6.285 4.090 0.768 1.00 0.00 N ATOM 514 CA GLU A 34 -6.188 5.574 0.855 1.00 0.00 C ATOM 515 C GLU A 34 -4.764 5.978 1.246 1.00 0.00 C ATOM 516 O GLU A 34 -4.280 7.025 0.863 1.00 0.00 O ATOM 517 CB GLU A 34 -7.169 6.081 1.915 1.00 0.00 C ATOM 518 CG GLU A 34 -8.555 5.484 1.656 1.00 0.00 C ATOM 519 CD GLU A 34 -8.847 4.392 2.686 1.00 0.00 C ATOM 520 OE1 GLU A 34 -8.859 4.703 3.865 1.00 0.00 O ATOM 521 OE2 GLU A 34 -9.056 3.261 2.277 1.00 0.00 O ATOM 0 H GLU A 34 -7.134 3.690 1.168 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.432 6.011 -0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.822 5.803 2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.219 7.169 1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.314 6.264 1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.600 5.069 0.649 1.00 0.00 H new ATOM 528 N ASN A 35 -4.090 5.160 2.006 1.00 0.00 N ATOM 529 CA ASN A 35 -2.700 5.504 2.419 1.00 0.00 C ATOM 530 C ASN A 35 -1.706 4.628 1.657 1.00 0.00 C ATOM 531 O ASN A 35 -1.799 3.416 1.661 1.00 0.00 O ATOM 532 CB ASN A 35 -2.539 5.267 3.922 1.00 0.00 C ATOM 533 CG ASN A 35 -3.752 5.828 4.667 1.00 0.00 C ATOM 534 OD1 ASN A 35 -4.763 5.164 4.790 1.00 0.00 O ATOM 535 ND2 ASN A 35 -3.695 7.030 5.173 1.00 0.00 N ATOM 0 H ASN A 35 -4.441 4.269 2.359 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.506 6.553 2.193 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.439 4.200 4.123 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.627 5.746 4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.499 7.412 5.672 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.847 7.587 5.070 1.00 0.00 H new ATOM 542 N GLY A 36 -0.754 5.233 1.002 1.00 0.00 N ATOM 543 CA GLY A 36 0.249 4.441 0.237 1.00 0.00 C ATOM 544 C GLY A 36 1.085 3.601 1.203 1.00 0.00 C ATOM 545 O GLY A 36 1.149 2.396 1.098 1.00 0.00 O ATOM 0 H GLY A 36 -0.627 6.244 0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.255 3.794 -0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.895 5.108 -0.334 1.00 0.00 H new ATOM 549 N ASN A 37 1.729 4.221 2.145 1.00 0.00 N ATOM 550 CA ASN A 37 2.553 3.439 3.107 1.00 0.00 C ATOM 551 C ASN A 37 1.701 2.309 3.687 1.00 0.00 C ATOM 552 O ASN A 37 1.961 1.149 3.455 1.00 0.00 O ATOM 553 CB ASN A 37 3.028 4.355 4.236 1.00 0.00 C ATOM 554 CG ASN A 37 4.246 3.733 4.924 1.00 0.00 C ATOM 555 OD1 ASN A 37 4.402 2.527 4.938 1.00 0.00 O ATOM 556 ND2 ASN A 37 5.122 4.510 5.502 1.00 0.00 N ATOM 0 H ASN A 37 1.723 5.230 2.293 1.00 0.00 H new ATOM 0 HA ASN A 37 3.420 3.021 2.596 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.285 5.337 3.838 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.226 4.504 4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.936 4.105 5.965 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.992 5.522 5.491 1.00 0.00 H new ATOM 563 N GLU A 38 0.694 2.652 4.449 1.00 0.00 N ATOM 564 CA GLU A 38 -0.192 1.624 5.076 1.00 0.00 C ATOM 565 C GLU A 38 -0.353 0.395 4.172 1.00 0.00 C ATOM 566 O GLU A 38 -0.141 -0.723 4.598 1.00 0.00 O ATOM 567 CB GLU A 38 -1.570 2.239 5.329 1.00 0.00 C ATOM 568 CG GLU A 38 -2.322 1.396 6.358 1.00 0.00 C ATOM 569 CD GLU A 38 -2.894 2.309 7.446 1.00 0.00 C ATOM 570 OE1 GLU A 38 -2.123 3.050 8.034 1.00 0.00 O ATOM 571 OE2 GLU A 38 -4.091 2.250 7.671 1.00 0.00 O ATOM 0 H GLU A 38 0.444 3.617 4.667 1.00 0.00 H new ATOM 0 HA GLU A 38 0.266 1.304 6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.463 3.262 5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.136 2.286 4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.126 0.843 5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.651 0.660 6.801 1.00 0.00 H new ATOM 578 N VAL A 39 -0.741 0.577 2.935 1.00 0.00 N ATOM 579 CA VAL A 39 -0.921 -0.605 2.043 1.00 0.00 C ATOM 580 C VAL A 39 0.394 -1.379 1.950 1.00 0.00 C ATOM 581 O VAL A 39 0.438 -2.568 2.185 1.00 0.00 O ATOM 582 CB VAL A 39 -1.390 -0.145 0.648 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.209 0.059 -0.309 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.314 -1.207 0.063 1.00 0.00 C ATOM 0 H VAL A 39 -0.939 1.483 2.509 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.684 -1.264 2.457 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.907 0.808 0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.580 0.383 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.460 0.819 0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.334 -0.879 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.652 -0.892 -0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.776 -2.151 -0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.176 -1.339 0.716 1.00 0.00 H new ATOM 594 N LEU A 40 1.464 -0.718 1.616 1.00 0.00 N ATOM 595 CA LEU A 40 2.768 -1.426 1.520 1.00 0.00 C ATOM 596 C LEU A 40 3.133 -1.984 2.896 1.00 0.00 C ATOM 597 O LEU A 40 3.995 -2.830 3.027 1.00 0.00 O ATOM 598 CB LEU A 40 3.842 -0.447 1.052 1.00 0.00 C ATOM 599 CG LEU A 40 3.825 -0.362 -0.474 1.00 0.00 C ATOM 600 CD1 LEU A 40 2.603 0.426 -0.939 1.00 0.00 C ATOM 601 CD2 LEU A 40 5.087 0.349 -0.941 1.00 0.00 C ATOM 0 H LEU A 40 1.493 0.280 1.406 1.00 0.00 H new ATOM 0 HA LEU A 40 2.697 -2.245 0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.664 0.538 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.823 -0.774 1.398 1.00 0.00 H new ATOM 0 HG LEU A 40 3.782 -1.367 -0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.599 0.482 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.696 -0.074 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.640 1.433 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.086 0.415 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.118 1.352 -0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.963 -0.211 -0.613 1.00 0.00 H new ATOM 613 N ALA A 41 2.466 -1.525 3.918 1.00 0.00 N ATOM 614 CA ALA A 41 2.747 -2.031 5.288 1.00 0.00 C ATOM 615 C ALA A 41 2.095 -3.404 5.434 1.00 0.00 C ATOM 616 O ALA A 41 2.637 -4.306 6.039 1.00 0.00 O ATOM 617 CB ALA A 41 2.155 -1.062 6.317 1.00 0.00 C ATOM 0 H ALA A 41 1.734 -0.817 3.861 1.00 0.00 H new ATOM 0 HA ALA A 41 3.822 -2.110 5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.359 -1.430 7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.607 -0.078 6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.078 -0.988 6.169 1.00 0.00 H new ATOM 623 N ALA A 42 0.935 -3.565 4.861 1.00 0.00 N ATOM 624 CA ALA A 42 0.236 -4.875 4.936 1.00 0.00 C ATOM 625 C ALA A 42 0.515 -5.666 3.653 1.00 0.00 C ATOM 626 O ALA A 42 0.031 -6.765 3.470 1.00 0.00 O ATOM 627 CB ALA A 42 -1.269 -4.637 5.068 1.00 0.00 C ATOM 0 H ALA A 42 0.440 -2.840 4.341 1.00 0.00 H new ATOM 0 HA ALA A 42 0.594 -5.436 5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.785 -5.595 5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.469 -4.064 5.974 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.627 -4.081 4.201 1.00 0.00 H new ATOM 633 N LEU A 43 1.293 -5.109 2.762 1.00 0.00 N ATOM 634 CA LEU A 43 1.607 -5.813 1.490 1.00 0.00 C ATOM 635 C LEU A 43 2.878 -6.642 1.668 1.00 0.00 C ATOM 636 O LEU A 43 3.274 -7.384 0.793 1.00 0.00 O ATOM 637 CB LEU A 43 1.832 -4.777 0.390 1.00 0.00 C ATOM 638 CG LEU A 43 0.872 -5.040 -0.774 1.00 0.00 C ATOM 639 CD1 LEU A 43 0.876 -6.531 -1.114 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.543 -4.611 -0.375 1.00 0.00 C ATOM 0 H LEU A 43 1.726 -4.191 2.864 1.00 0.00 H new ATOM 0 HA LEU A 43 0.780 -6.469 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.673 -3.773 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.863 -4.822 0.040 1.00 0.00 H new ATOM 0 HG LEU A 43 1.193 -4.469 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.193 -6.717 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.883 -6.837 -1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.555 -7.104 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.227 -4.798 -1.203 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.864 -5.181 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.547 -3.548 -0.134 1.00 0.00 H new ATOM 652 N ALA A 44 3.525 -6.513 2.792 1.00 0.00 N ATOM 653 CA ALA A 44 4.774 -7.292 3.027 1.00 0.00 C ATOM 654 C ALA A 44 4.436 -8.782 3.143 1.00 0.00 C ATOM 655 O ALA A 44 5.310 -9.626 3.146 1.00 0.00 O ATOM 656 CB ALA A 44 5.436 -6.816 4.323 1.00 0.00 C ATOM 0 H ALA A 44 3.244 -5.902 3.559 1.00 0.00 H new ATOM 0 HA ALA A 44 5.458 -7.140 2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.349 -7.385 4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.679 -5.757 4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.752 -6.967 5.158 1.00 0.00 H new ATOM 662 N SER A 45 3.176 -9.115 3.235 1.00 0.00 N ATOM 663 CA SER A 45 2.792 -10.552 3.347 1.00 0.00 C ATOM 664 C SER A 45 2.400 -11.089 1.967 1.00 0.00 C ATOM 665 O SER A 45 2.032 -12.238 1.819 1.00 0.00 O ATOM 666 CB SER A 45 1.605 -10.694 4.299 1.00 0.00 C ATOM 667 OG SER A 45 2.078 -10.728 5.640 1.00 0.00 O ATOM 0 H SER A 45 2.398 -8.456 3.237 1.00 0.00 H new ATOM 0 HA SER A 45 3.639 -11.120 3.733 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.916 -9.860 4.166 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.051 -11.605 4.074 1.00 0.00 H new ATOM 0 HG SER A 45 1.318 -10.817 6.253 1.00 0.00 H new ATOM 673 N LYS A 46 2.477 -10.265 0.957 1.00 0.00 N ATOM 674 CA LYS A 46 2.110 -10.720 -0.413 1.00 0.00 C ATOM 675 C LYS A 46 0.619 -11.052 -0.461 1.00 0.00 C ATOM 676 O LYS A 46 0.217 -12.170 -0.203 1.00 0.00 O ATOM 677 CB LYS A 46 2.916 -11.970 -0.769 1.00 0.00 C ATOM 678 CG LYS A 46 4.118 -11.581 -1.630 1.00 0.00 C ATOM 679 CD LYS A 46 4.204 -12.518 -2.836 1.00 0.00 C ATOM 680 CE LYS A 46 5.439 -13.411 -2.698 1.00 0.00 C ATOM 681 NZ LYS A 46 5.010 -14.829 -2.537 1.00 0.00 N ATOM 0 H LYS A 46 2.779 -9.293 1.023 1.00 0.00 H new ATOM 0 HA LYS A 46 2.330 -9.926 -1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.254 -12.468 0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.286 -12.680 -1.306 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.021 -10.548 -1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.034 -11.641 -1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.304 -13.130 -2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.262 -11.939 -3.757 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.075 -13.310 -3.578 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.032 -13.099 -1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.849 -15.437 -2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.420 -14.919 -1.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.461 -15.122 -3.370 1.00 0.00 H new ATOM 695 N THR A 47 -0.209 -10.096 -0.784 1.00 0.00 N ATOM 696 CA THR A 47 -1.668 -10.382 -0.836 1.00 0.00 C ATOM 697 C THR A 47 -2.101 -10.623 -2.291 1.00 0.00 C ATOM 698 O THR A 47 -2.370 -11.745 -2.669 1.00 0.00 O ATOM 699 CB THR A 47 -2.445 -9.214 -0.205 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.451 -9.372 1.206 1.00 0.00 O ATOM 701 CG2 THR A 47 -3.889 -9.197 -0.713 1.00 0.00 C ATOM 0 H THR A 47 0.059 -9.139 -1.012 1.00 0.00 H new ATOM 0 HA THR A 47 -1.888 -11.285 -0.266 1.00 0.00 H new ATOM 0 HB THR A 47 -1.962 -8.276 -0.480 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.943 -8.630 1.616 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.425 -8.365 -0.257 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.892 -9.081 -1.797 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.379 -10.134 -0.447 1.00 0.00 H new ATOM 709 N PRO A 48 -2.152 -9.571 -3.063 1.00 0.00 N ATOM 710 CA PRO A 48 -2.559 -9.757 -4.475 1.00 0.00 C ATOM 711 C PRO A 48 -1.417 -10.369 -5.282 1.00 0.00 C ATOM 712 O PRO A 48 -0.463 -10.891 -4.740 1.00 0.00 O ATOM 713 CB PRO A 48 -2.828 -8.343 -4.992 1.00 0.00 C ATOM 714 CG PRO A 48 -2.016 -7.415 -4.087 1.00 0.00 C ATOM 715 CD PRO A 48 -1.883 -8.149 -2.751 1.00 0.00 C ATOM 0 HA PRO A 48 -3.421 -10.418 -4.563 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.523 -8.241 -6.033 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.891 -8.104 -4.947 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.037 -7.207 -4.518 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.518 -6.456 -3.958 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.887 -8.020 -2.328 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.593 -7.765 -2.018 1.00 0.00 H new ATOM 723 N ASP A 49 -1.500 -10.269 -6.577 1.00 0.00 N ATOM 724 CA ASP A 49 -0.414 -10.796 -7.440 1.00 0.00 C ATOM 725 C ASP A 49 0.297 -9.603 -8.080 1.00 0.00 C ATOM 726 O ASP A 49 1.383 -9.721 -8.610 1.00 0.00 O ATOM 727 CB ASP A 49 -0.998 -11.702 -8.528 1.00 0.00 C ATOM 728 CG ASP A 49 -2.301 -11.101 -9.057 1.00 0.00 C ATOM 729 OD1 ASP A 49 -2.406 -9.886 -9.079 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.173 -11.869 -9.431 1.00 0.00 O ATOM 0 H ASP A 49 -2.280 -9.842 -7.077 1.00 0.00 H new ATOM 0 HA ASP A 49 0.287 -11.384 -6.848 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.282 -11.816 -9.342 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.183 -12.698 -8.125 1.00 0.00 H new ATOM 735 N VAL A 50 -0.316 -8.446 -8.024 1.00 0.00 N ATOM 736 CA VAL A 50 0.312 -7.234 -8.615 1.00 0.00 C ATOM 737 C VAL A 50 -0.033 -6.011 -7.760 1.00 0.00 C ATOM 738 O VAL A 50 -1.184 -5.757 -7.447 1.00 0.00 O ATOM 739 CB VAL A 50 -0.207 -7.040 -10.045 1.00 0.00 C ATOM 740 CG1 VAL A 50 -0.045 -5.579 -10.478 1.00 0.00 C ATOM 741 CG2 VAL A 50 0.599 -7.927 -10.987 1.00 0.00 C ATOM 0 H VAL A 50 -1.227 -8.293 -7.592 1.00 0.00 H new ATOM 0 HA VAL A 50 1.395 -7.355 -8.640 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.263 -7.306 -10.080 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.418 -5.457 -11.495 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.611 -4.935 -9.805 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.009 -5.304 -10.443 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.238 -7.797 -12.007 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.652 -7.649 -10.936 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.484 -8.970 -10.692 1.00 0.00 H new ATOM 751 N LEU A 51 0.953 -5.248 -7.382 1.00 0.00 N ATOM 752 CA LEU A 51 0.679 -4.040 -6.558 1.00 0.00 C ATOM 753 C LEU A 51 0.698 -2.810 -7.463 1.00 0.00 C ATOM 754 O LEU A 51 1.269 -2.828 -8.538 1.00 0.00 O ATOM 755 CB LEU A 51 1.751 -3.899 -5.478 1.00 0.00 C ATOM 756 CG LEU A 51 1.146 -4.203 -4.103 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.165 -3.101 -3.709 1.00 0.00 C ATOM 758 CD2 LEU A 51 0.417 -5.546 -4.135 1.00 0.00 C ATOM 0 H LEU A 51 1.935 -5.408 -7.608 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.296 -4.133 -6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.577 -4.581 -5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.161 -2.889 -5.490 1.00 0.00 H new ATOM 0 HG LEU A 51 1.951 -4.249 -3.370 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.260 -3.325 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.688 -2.146 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.634 -3.044 -4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.009 -5.752 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.381 -5.509 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.121 -6.336 -4.398 1.00 0.00 H new ATOM 770 N LEU A 52 0.076 -1.741 -7.049 1.00 0.00 N ATOM 771 CA LEU A 52 0.067 -0.528 -7.906 1.00 0.00 C ATOM 772 C LEU A 52 0.070 0.732 -7.035 1.00 0.00 C ATOM 773 O LEU A 52 -0.322 0.707 -5.885 1.00 0.00 O ATOM 774 CB LEU A 52 -1.177 -0.544 -8.790 1.00 0.00 C ATOM 775 CG LEU A 52 -0.779 -0.898 -10.222 1.00 0.00 C ATOM 776 CD1 LEU A 52 -1.702 -1.996 -10.752 1.00 0.00 C ATOM 777 CD2 LEU A 52 -0.902 0.342 -11.111 1.00 0.00 C ATOM 0 H LEU A 52 -0.421 -1.657 -6.162 1.00 0.00 H new ATOM 0 HA LEU A 52 0.959 -0.523 -8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.896 -1.270 -8.411 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.665 0.430 -8.767 1.00 0.00 H new ATOM 0 HG LEU A 52 0.252 -1.251 -10.233 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.418 -2.248 -11.774 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.614 -2.881 -10.122 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.733 -1.642 -10.739 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.618 0.087 -12.132 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.932 0.697 -11.099 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.244 1.125 -10.736 1.00 0.00 H new ATOM 789 N SER A 53 0.515 1.835 -7.576 1.00 0.00 N ATOM 790 CA SER A 53 0.549 3.097 -6.779 1.00 0.00 C ATOM 791 C SER A 53 -0.017 4.252 -7.614 1.00 0.00 C ATOM 792 O SER A 53 0.450 4.532 -8.700 1.00 0.00 O ATOM 793 CB SER A 53 1.996 3.405 -6.384 1.00 0.00 C ATOM 794 OG SER A 53 2.278 4.776 -6.636 1.00 0.00 O ATOM 0 H SER A 53 0.856 1.917 -8.534 1.00 0.00 H new ATOM 0 HA SER A 53 -0.057 2.978 -5.881 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.151 3.179 -5.329 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.680 2.773 -6.949 1.00 0.00 H new ATOM 0 HG SER A 53 3.239 4.936 -6.534 1.00 0.00 H new ATOM 800 N ASP A 54 -1.021 4.923 -7.112 1.00 0.00 N ATOM 801 CA ASP A 54 -1.619 6.058 -7.874 1.00 0.00 C ATOM 802 C ASP A 54 -0.572 7.158 -8.072 1.00 0.00 C ATOM 803 O ASP A 54 -0.351 7.615 -9.173 1.00 0.00 O ATOM 804 CB ASP A 54 -2.804 6.626 -7.092 1.00 0.00 C ATOM 805 CG ASP A 54 -4.075 5.864 -7.469 1.00 0.00 C ATOM 806 OD1 ASP A 54 -4.077 5.237 -8.516 1.00 0.00 O ATOM 807 OD2 ASP A 54 -5.023 5.917 -6.705 1.00 0.00 O ATOM 0 H ASP A 54 -1.452 4.734 -6.207 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.956 5.700 -8.847 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.621 6.542 -6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.924 7.687 -7.312 1.00 0.00 H new ATOM 812 N ILE A 55 0.060 7.586 -7.008 1.00 0.00 N ATOM 813 CA ILE A 55 1.093 8.662 -7.109 1.00 0.00 C ATOM 814 C ILE A 55 0.405 10.035 -7.090 1.00 0.00 C ATOM 815 O ILE A 55 0.916 11.005 -7.614 1.00 0.00 O ATOM 816 CB ILE A 55 1.928 8.479 -8.395 1.00 0.00 C ATOM 817 CG1 ILE A 55 3.386 8.838 -8.099 1.00 0.00 C ATOM 818 CG2 ILE A 55 1.415 9.379 -9.530 1.00 0.00 C ATOM 819 CD1 ILE A 55 4.025 7.731 -7.259 1.00 0.00 C ATOM 0 H ILE A 55 -0.097 7.232 -6.064 1.00 0.00 H new ATOM 0 HA ILE A 55 1.770 8.599 -6.257 1.00 0.00 H new ATOM 0 HB ILE A 55 1.842 7.440 -8.713 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.936 8.965 -9.031 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.437 9.788 -7.567 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.025 9.225 -10.420 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.378 9.128 -9.753 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.478 10.423 -9.223 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.063 7.987 -7.049 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.480 7.626 -6.321 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.988 6.790 -7.808 1.00 0.00 H new ATOM 831 N ARG A 56 -0.748 10.119 -6.489 1.00 0.00 N ATOM 832 CA ARG A 56 -1.467 11.422 -6.434 1.00 0.00 C ATOM 833 C ARG A 56 -1.528 11.904 -4.979 1.00 0.00 C ATOM 834 O ARG A 56 -0.566 11.793 -4.244 1.00 0.00 O ATOM 835 CB ARG A 56 -2.881 11.237 -6.990 1.00 0.00 C ATOM 836 CG ARG A 56 -3.630 10.207 -6.144 1.00 0.00 C ATOM 837 CD ARG A 56 -5.077 10.108 -6.624 1.00 0.00 C ATOM 838 NE ARG A 56 -5.768 11.407 -6.386 1.00 0.00 N ATOM 839 CZ ARG A 56 -7.024 11.552 -6.709 1.00 0.00 C ATOM 840 NH1 ARG A 56 -7.717 10.526 -7.124 1.00 0.00 N ATOM 841 NH2 ARG A 56 -7.590 12.724 -6.615 1.00 0.00 N ATOM 0 H ARG A 56 -1.224 9.341 -6.033 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.942 12.166 -7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.414 12.188 -6.981 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.835 10.907 -8.028 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.143 9.235 -6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.603 10.495 -5.093 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.104 9.858 -7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.593 9.307 -6.095 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.257 12.185 -5.969 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.277 9.609 -7.196 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.699 10.642 -7.376 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.051 13.526 -6.289 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.572 12.838 -6.867 1.00 0.00 H new ATOM 855 N MET A 57 -2.642 12.438 -4.550 1.00 0.00 N ATOM 856 CA MET A 57 -2.739 12.918 -3.143 1.00 0.00 C ATOM 857 C MET A 57 -1.878 14.174 -2.976 1.00 0.00 C ATOM 858 O MET A 57 -0.720 14.185 -3.341 1.00 0.00 O ATOM 859 CB MET A 57 -2.240 11.827 -2.194 1.00 0.00 C ATOM 860 CG MET A 57 -3.158 11.750 -0.972 1.00 0.00 C ATOM 861 SD MET A 57 -2.221 11.132 0.449 1.00 0.00 S ATOM 862 CE MET A 57 -2.326 9.371 0.047 1.00 0.00 C ATOM 0 H MET A 57 -3.484 12.561 -5.112 1.00 0.00 H new ATOM 0 HA MET A 57 -3.777 13.153 -2.909 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.220 10.866 -2.707 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.218 12.043 -1.881 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.569 12.735 -0.750 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.002 11.092 -1.179 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.963 8.783 0.890 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.363 9.106 -0.160 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.716 9.161 -0.831 1.00 0.00 H new ATOM 872 N PRO A 58 -2.480 15.195 -2.429 1.00 0.00 N ATOM 873 CA PRO A 58 -1.725 16.451 -2.231 1.00 0.00 C ATOM 874 C PRO A 58 -1.026 16.442 -0.870 1.00 0.00 C ATOM 875 O PRO A 58 -1.223 15.551 -0.066 1.00 0.00 O ATOM 876 CB PRO A 58 -2.790 17.547 -2.278 1.00 0.00 C ATOM 877 CG PRO A 58 -4.125 16.866 -1.922 1.00 0.00 C ATOM 878 CD PRO A 58 -3.932 15.362 -2.177 1.00 0.00 C ATOM 0 HA PRO A 58 -0.948 16.594 -2.982 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.559 18.344 -1.571 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.837 18.002 -3.267 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.389 17.052 -0.881 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -4.937 17.262 -2.532 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.253 14.772 -1.318 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.521 15.028 -3.031 1.00 0.00 H new ATOM 886 N GLY A 59 -0.211 17.426 -0.605 1.00 0.00 N ATOM 887 CA GLY A 59 0.500 17.477 0.704 1.00 0.00 C ATOM 888 C GLY A 59 1.903 16.890 0.553 1.00 0.00 C ATOM 889 O GLY A 59 2.893 17.585 0.671 1.00 0.00 O ATOM 0 H GLY A 59 -0.006 18.198 -1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.562 18.507 1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.059 16.918 1.454 1.00 0.00 H new ATOM 893 N MET A 60 2.000 15.615 0.296 1.00 0.00 N ATOM 894 CA MET A 60 3.341 14.988 0.142 1.00 0.00 C ATOM 895 C MET A 60 3.759 15.029 -1.330 1.00 0.00 C ATOM 896 O MET A 60 4.486 14.178 -1.803 1.00 0.00 O ATOM 897 CB MET A 60 3.284 13.537 0.622 1.00 0.00 C ATOM 898 CG MET A 60 3.145 13.511 2.147 1.00 0.00 C ATOM 899 SD MET A 60 1.523 12.841 2.595 1.00 0.00 S ATOM 900 CE MET A 60 2.118 11.341 3.415 1.00 0.00 C ATOM 0 H MET A 60 1.209 14.981 0.186 1.00 0.00 H new ATOM 0 HA MET A 60 4.070 15.537 0.738 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.441 13.022 0.160 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.187 13.006 0.319 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.936 12.901 2.584 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.259 14.517 2.550 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.291 10.642 3.539 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.896 10.878 2.808 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.526 11.598 4.393 1.00 0.00 H new ATOM 910 N ASP A 61 3.306 16.014 -2.057 1.00 0.00 N ATOM 911 CA ASP A 61 3.678 16.115 -3.496 1.00 0.00 C ATOM 912 C ASP A 61 3.373 14.792 -4.202 1.00 0.00 C ATOM 913 O ASP A 61 2.295 14.589 -4.722 1.00 0.00 O ATOM 914 CB ASP A 61 5.175 16.418 -3.614 1.00 0.00 C ATOM 915 CG ASP A 61 5.611 16.292 -5.075 1.00 0.00 C ATOM 916 OD1 ASP A 61 4.758 16.409 -5.939 1.00 0.00 O ATOM 917 OD2 ASP A 61 6.790 16.080 -5.304 1.00 0.00 O ATOM 0 H ASP A 61 2.693 16.754 -1.715 1.00 0.00 H new ATOM 0 HA ASP A 61 3.103 16.915 -3.962 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.383 17.423 -3.247 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.746 15.728 -2.993 1.00 0.00 H new ATOM 922 N GLY A 62 4.318 13.892 -4.221 1.00 0.00 N ATOM 923 CA GLY A 62 4.089 12.582 -4.889 1.00 0.00 C ATOM 924 C GLY A 62 4.675 11.468 -4.022 1.00 0.00 C ATOM 925 O GLY A 62 5.789 11.031 -4.229 1.00 0.00 O ATOM 0 H GLY A 62 5.240 14.009 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.022 12.419 -5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.555 12.576 -5.874 1.00 0.00 H new ATOM 929 N LEU A 63 3.926 11.018 -3.050 1.00 0.00 N ATOM 930 CA LEU A 63 4.414 9.933 -2.143 1.00 0.00 C ATOM 931 C LEU A 63 5.265 8.934 -2.928 1.00 0.00 C ATOM 932 O LEU A 63 4.889 8.483 -3.993 1.00 0.00 O ATOM 933 CB LEU A 63 3.218 9.197 -1.534 1.00 0.00 C ATOM 934 CG LEU A 63 2.135 10.202 -1.138 1.00 0.00 C ATOM 935 CD1 LEU A 63 1.093 10.299 -2.257 1.00 0.00 C ATOM 936 CD2 LEU A 63 1.456 9.731 0.151 1.00 0.00 C ATOM 0 H LEU A 63 2.987 11.358 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 63 5.017 10.380 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.817 8.481 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.536 8.629 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 63 2.586 11.181 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.321 11.015 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.576 10.630 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.639 9.321 -2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.683 10.445 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.004 8.753 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.197 9.660 0.947 1.00 0.00 H new ATOM 948 N ALA A 64 6.410 8.581 -2.410 1.00 0.00 N ATOM 949 CA ALA A 64 7.282 7.608 -3.124 1.00 0.00 C ATOM 950 C ALA A 64 6.451 6.388 -3.519 1.00 0.00 C ATOM 951 O ALA A 64 6.022 6.258 -4.648 1.00 0.00 O ATOM 952 CB ALA A 64 8.422 7.171 -2.202 1.00 0.00 C ATOM 0 H ALA A 64 6.778 8.925 -1.523 1.00 0.00 H new ATOM 0 HA ALA A 64 7.699 8.075 -4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.060 6.459 -2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.011 8.042 -1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.008 6.701 -1.310 1.00 0.00 H new ATOM 958 N LEU A 65 6.225 5.492 -2.593 1.00 0.00 N ATOM 959 CA LEU A 65 5.422 4.269 -2.892 1.00 0.00 C ATOM 960 C LEU A 65 6.278 3.230 -3.629 1.00 0.00 C ATOM 961 O LEU A 65 6.140 2.044 -3.407 1.00 0.00 O ATOM 962 CB LEU A 65 4.197 4.643 -3.732 1.00 0.00 C ATOM 963 CG LEU A 65 2.929 4.255 -2.970 1.00 0.00 C ATOM 964 CD1 LEU A 65 2.985 4.831 -1.551 1.00 0.00 C ATOM 965 CD2 LEU A 65 1.705 4.815 -3.696 1.00 0.00 C ATOM 0 H LEU A 65 6.566 5.556 -1.634 1.00 0.00 H new ATOM 0 HA LEU A 65 5.086 3.831 -1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.197 5.713 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.230 4.130 -4.693 1.00 0.00 H new ATOM 0 HG LEU A 65 2.858 3.169 -2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.081 4.553 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.856 4.433 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.058 5.917 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.802 4.538 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.779 5.901 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.661 4.405 -4.705 1.00 0.00 H new ATOM 977 N LEU A 66 7.169 3.650 -4.488 1.00 0.00 N ATOM 978 CA LEU A 66 8.025 2.664 -5.202 1.00 0.00 C ATOM 979 C LEU A 66 9.111 2.184 -4.242 1.00 0.00 C ATOM 980 O LEU A 66 9.182 1.021 -3.898 1.00 0.00 O ATOM 981 CB LEU A 66 8.670 3.327 -6.421 1.00 0.00 C ATOM 982 CG LEU A 66 9.692 2.374 -7.042 1.00 0.00 C ATOM 983 CD1 LEU A 66 8.967 1.341 -7.907 1.00 0.00 C ATOM 984 CD2 LEU A 66 10.664 3.173 -7.913 1.00 0.00 C ATOM 0 H LEU A 66 7.339 4.628 -4.724 1.00 0.00 H new ATOM 0 HA LEU A 66 7.423 1.820 -5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.906 3.585 -7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.157 4.257 -6.127 1.00 0.00 H new ATOM 0 HG LEU A 66 10.242 1.864 -6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.695 0.662 -8.350 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.270 0.774 -7.290 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.418 1.851 -8.699 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.394 2.497 -8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.111 3.681 -8.703 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.180 3.911 -7.299 1.00 0.00 H new ATOM 996 N LYS A 67 9.950 3.077 -3.791 1.00 0.00 N ATOM 997 CA LYS A 67 11.017 2.674 -2.837 1.00 0.00 C ATOM 998 C LYS A 67 10.374 1.889 -1.694 1.00 0.00 C ATOM 999 O LYS A 67 10.899 0.893 -1.235 1.00 0.00 O ATOM 1000 CB LYS A 67 11.705 3.923 -2.282 1.00 0.00 C ATOM 1001 CG LYS A 67 12.517 4.591 -3.392 1.00 0.00 C ATOM 1002 CD LYS A 67 13.734 3.727 -3.720 1.00 0.00 C ATOM 1003 CE LYS A 67 15.009 4.471 -3.323 1.00 0.00 C ATOM 1004 NZ LYS A 67 16.176 3.864 -4.023 1.00 0.00 N ATOM 0 H LYS A 67 9.941 4.065 -4.042 1.00 0.00 H new ATOM 0 HA LYS A 67 11.759 2.056 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.962 4.618 -1.892 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.357 3.654 -1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.900 4.722 -4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.837 5.584 -3.077 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.673 2.778 -3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.752 3.495 -4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.923 5.526 -3.584 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.152 4.420 -2.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.044 4.370 -3.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.260 2.863 -3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.039 3.935 -5.052 1.00 0.00 H new ATOM 1018 N GLN A 68 9.228 2.325 -1.246 1.00 0.00 N ATOM 1019 CA GLN A 68 8.529 1.603 -0.148 1.00 0.00 C ATOM 1020 C GLN A 68 8.286 0.161 -0.596 1.00 0.00 C ATOM 1021 O GLN A 68 8.686 -0.778 0.063 1.00 0.00 O ATOM 1022 CB GLN A 68 7.190 2.300 0.139 1.00 0.00 C ATOM 1023 CG GLN A 68 6.414 1.546 1.227 1.00 0.00 C ATOM 1024 CD GLN A 68 6.873 2.028 2.606 1.00 0.00 C ATOM 1025 OE1 GLN A 68 7.367 1.252 3.400 1.00 0.00 O ATOM 1026 NE2 GLN A 68 6.732 3.286 2.925 1.00 0.00 N ATOM 0 H GLN A 68 8.745 3.153 -1.595 1.00 0.00 H new ATOM 0 HA GLN A 68 9.132 1.607 0.760 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.369 3.327 0.457 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.595 2.348 -0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.344 1.714 1.109 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.581 0.473 1.131 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.317 3.938 2.259 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.036 3.617 3.840 1.00 0.00 H new ATOM 1035 N ILE A 69 7.612 -0.011 -1.707 1.00 0.00 N ATOM 1036 CA ILE A 69 7.308 -1.382 -2.216 1.00 0.00 C ATOM 1037 C ILE A 69 8.481 -2.321 -1.918 1.00 0.00 C ATOM 1038 O ILE A 69 8.317 -3.368 -1.335 1.00 0.00 O ATOM 1039 CB ILE A 69 7.051 -1.295 -3.735 1.00 0.00 C ATOM 1040 CG1 ILE A 69 5.543 -1.272 -3.983 1.00 0.00 C ATOM 1041 CG2 ILE A 69 7.657 -2.496 -4.475 1.00 0.00 C ATOM 1042 CD1 ILE A 69 5.166 0.006 -4.733 1.00 0.00 C ATOM 0 H ILE A 69 7.257 0.749 -2.288 1.00 0.00 H new ATOM 0 HA ILE A 69 6.423 -1.780 -1.721 1.00 0.00 H new ATOM 0 HB ILE A 69 7.521 -0.386 -4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.246 -2.146 -4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.008 -1.321 -3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.458 -2.404 -5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.734 -2.521 -4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.210 -3.417 -4.101 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.090 0.021 -4.909 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.448 0.874 -4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.690 0.035 -5.688 1.00 0.00 H new ATOM 1054 N LYS A 70 9.663 -1.958 -2.320 1.00 0.00 N ATOM 1055 CA LYS A 70 10.831 -2.841 -2.059 1.00 0.00 C ATOM 1056 C LYS A 70 10.996 -3.042 -0.551 1.00 0.00 C ATOM 1057 O LYS A 70 10.901 -4.147 -0.055 1.00 0.00 O ATOM 1058 CB LYS A 70 12.091 -2.197 -2.639 1.00 0.00 C ATOM 1059 CG LYS A 70 11.904 -1.988 -4.143 1.00 0.00 C ATOM 1060 CD LYS A 70 13.122 -2.535 -4.892 1.00 0.00 C ATOM 1061 CE LYS A 70 14.313 -1.594 -4.699 1.00 0.00 C ATOM 1062 NZ LYS A 70 13.926 -0.210 -5.095 1.00 0.00 N ATOM 0 H LYS A 70 9.872 -1.092 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 70 10.670 -3.810 -2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.285 -1.243 -2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.957 -2.832 -2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.999 -2.493 -4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.777 -0.927 -4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.370 -3.531 -4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.894 -2.635 -5.953 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.636 -1.608 -3.658 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.158 -1.932 -5.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.782 0.352 -5.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.348 -0.245 -5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.378 0.230 -4.329 1.00 0.00 H new ATOM 1076 N GLN A 71 11.259 -1.983 0.171 1.00 0.00 N ATOM 1077 CA GLN A 71 11.450 -2.090 1.651 1.00 0.00 C ATOM 1078 C GLN A 71 10.549 -3.181 2.243 1.00 0.00 C ATOM 1079 O GLN A 71 10.913 -3.851 3.188 1.00 0.00 O ATOM 1080 CB GLN A 71 11.097 -0.748 2.296 1.00 0.00 C ATOM 1081 CG GLN A 71 12.383 0.014 2.622 1.00 0.00 C ATOM 1082 CD GLN A 71 12.309 0.561 4.050 1.00 0.00 C ATOM 1083 OE1 GLN A 71 13.315 0.666 4.724 1.00 0.00 O ATOM 1084 NE2 GLN A 71 11.154 0.914 4.544 1.00 0.00 N ATOM 0 H GLN A 71 11.351 -1.039 -0.204 1.00 0.00 H new ATOM 0 HA GLN A 71 12.489 -2.351 1.851 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.474 -0.160 1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.517 -0.910 3.205 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.244 -0.646 2.519 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.522 0.832 1.915 1.00 0.00 H new ATOM 0 HE21 GLN A 71 10.309 0.826 3.979 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.096 1.278 5.495 1.00 0.00 H new ATOM 1093 N ARG A 72 9.374 -3.361 1.702 1.00 0.00 N ATOM 1094 CA ARG A 72 8.454 -4.404 2.245 1.00 0.00 C ATOM 1095 C ARG A 72 8.084 -5.392 1.136 1.00 0.00 C ATOM 1096 O ARG A 72 8.479 -6.541 1.161 1.00 0.00 O ATOM 1097 CB ARG A 72 7.186 -3.731 2.776 1.00 0.00 C ATOM 1098 CG ARG A 72 7.308 -3.535 4.290 1.00 0.00 C ATOM 1099 CD ARG A 72 8.028 -2.216 4.576 1.00 0.00 C ATOM 1100 NE ARG A 72 7.237 -1.417 5.555 1.00 0.00 N ATOM 1101 CZ ARG A 72 7.424 -1.585 6.837 1.00 0.00 C ATOM 1102 NH1 ARG A 72 7.325 -2.777 7.361 1.00 0.00 N ATOM 1103 NH2 ARG A 72 7.710 -0.562 7.595 1.00 0.00 N ATOM 0 H ARG A 72 9.011 -2.832 0.909 1.00 0.00 H new ATOM 0 HA ARG A 72 8.949 -4.942 3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.039 -2.769 2.285 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.313 -4.343 2.547 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.319 -3.529 4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.858 -4.366 4.732 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.024 -2.412 4.972 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.158 -1.653 3.652 1.00 0.00 H new ATOM 0 HE ARG A 72 6.550 -0.739 5.224 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.102 -3.577 6.769 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.471 -2.908 8.362 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.788 0.369 7.187 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.856 -0.694 8.596 1.00 0.00 H new ATOM 1117 N HIS A 73 7.333 -4.947 0.163 1.00 0.00 N ATOM 1118 CA HIS A 73 6.934 -5.843 -0.962 1.00 0.00 C ATOM 1119 C HIS A 73 8.123 -6.727 -1.354 1.00 0.00 C ATOM 1120 O HIS A 73 9.255 -6.414 -1.040 1.00 0.00 O ATOM 1121 CB HIS A 73 6.521 -4.984 -2.161 1.00 0.00 C ATOM 1122 CG HIS A 73 5.323 -5.586 -2.844 1.00 0.00 C ATOM 1123 ND1 HIS A 73 5.315 -5.867 -4.201 1.00 0.00 N ATOM 1124 CD2 HIS A 73 4.082 -5.945 -2.378 1.00 0.00 C ATOM 1125 CE1 HIS A 73 4.105 -6.372 -4.503 1.00 0.00 C ATOM 1126 NE2 HIS A 73 3.315 -6.442 -3.428 1.00 0.00 N ATOM 0 H HIS A 73 6.976 -3.994 0.099 1.00 0.00 H new ATOM 0 HA HIS A 73 6.100 -6.473 -0.655 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.289 -3.972 -1.830 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.350 -4.907 -2.865 1.00 0.00 H new ATOM 0 HD1 HIS A 73 6.086 -5.718 -4.852 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.752 -5.855 -1.354 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.809 -6.683 -5.494 1.00 0.00 H new ATOM 1134 N PRO A 74 7.826 -7.805 -2.028 1.00 0.00 N ATOM 1135 CA PRO A 74 8.921 -8.711 -2.440 1.00 0.00 C ATOM 1136 C PRO A 74 9.404 -8.349 -3.850 1.00 0.00 C ATOM 1137 O PRO A 74 10.221 -7.466 -4.023 1.00 0.00 O ATOM 1138 CB PRO A 74 8.296 -10.106 -2.408 1.00 0.00 C ATOM 1139 CG PRO A 74 6.778 -9.900 -2.547 1.00 0.00 C ATOM 1140 CD PRO A 74 6.493 -8.445 -2.136 1.00 0.00 C ATOM 0 HA PRO A 74 9.794 -8.644 -1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.681 -10.724 -3.220 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.536 -10.618 -1.476 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.454 -10.084 -3.571 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.232 -10.597 -1.910 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.873 -7.941 -2.877 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.957 -8.401 -1.188 1.00 0.00 H new ATOM 1148 N MET A 75 8.917 -9.020 -4.861 1.00 0.00 N ATOM 1149 CA MET A 75 9.371 -8.698 -6.244 1.00 0.00 C ATOM 1150 C MET A 75 8.243 -8.928 -7.257 1.00 0.00 C ATOM 1151 O MET A 75 8.430 -8.752 -8.444 1.00 0.00 O ATOM 1152 CB MET A 75 10.564 -9.584 -6.601 1.00 0.00 C ATOM 1153 CG MET A 75 11.712 -9.300 -5.631 1.00 0.00 C ATOM 1154 SD MET A 75 13.195 -10.185 -6.173 1.00 0.00 S ATOM 1155 CE MET A 75 13.102 -11.535 -4.972 1.00 0.00 C ATOM 0 H MET A 75 8.230 -9.771 -4.789 1.00 0.00 H new ATOM 0 HA MET A 75 9.659 -7.647 -6.281 1.00 0.00 H new ATOM 0 HB2 MET A 75 10.280 -10.635 -6.549 1.00 0.00 H new ATOM 0 HB3 MET A 75 10.882 -9.390 -7.626 1.00 0.00 H new ATOM 0 HG2 MET A 75 11.910 -8.229 -5.589 1.00 0.00 H new ATOM 0 HG3 MET A 75 11.437 -9.613 -4.624 1.00 0.00 H new ATOM 0 HE1 MET A 75 13.938 -12.217 -5.126 1.00 0.00 H new ATOM 0 HE2 MET A 75 13.147 -11.127 -3.962 1.00 0.00 H new ATOM 0 HE3 MET A 75 12.164 -12.075 -5.104 1.00 0.00 H new ATOM 1165 N LEU A 76 7.072 -9.308 -6.817 1.00 0.00 N ATOM 1166 CA LEU A 76 5.966 -9.522 -7.790 1.00 0.00 C ATOM 1167 C LEU A 76 5.682 -8.187 -8.490 1.00 0.00 C ATOM 1168 O LEU A 76 5.643 -7.157 -7.848 1.00 0.00 O ATOM 1169 CB LEU A 76 4.720 -10.033 -7.052 1.00 0.00 C ATOM 1170 CG LEU A 76 4.044 -8.889 -6.298 1.00 0.00 C ATOM 1171 CD1 LEU A 76 2.985 -8.241 -7.190 1.00 0.00 C ATOM 1172 CD2 LEU A 76 3.369 -9.445 -5.041 1.00 0.00 C ATOM 0 H LEU A 76 6.837 -9.477 -5.839 1.00 0.00 H new ATOM 0 HA LEU A 76 6.244 -10.269 -8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.021 -10.471 -7.765 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.000 -10.822 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 76 4.791 -8.145 -6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.504 -7.425 -6.650 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.458 -7.851 -8.091 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.237 -8.984 -7.466 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.885 -8.633 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.623 -10.186 -5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.118 -9.912 -4.402 1.00 0.00 H new ATOM 1184 N PRO A 77 5.534 -8.250 -9.795 1.00 0.00 N ATOM 1185 CA PRO A 77 5.297 -7.005 -10.575 1.00 0.00 C ATOM 1186 C PRO A 77 4.574 -5.927 -9.755 1.00 0.00 C ATOM 1187 O PRO A 77 3.744 -6.207 -8.910 1.00 0.00 O ATOM 1188 CB PRO A 77 4.463 -7.450 -11.775 1.00 0.00 C ATOM 1189 CG PRO A 77 3.799 -8.775 -11.371 1.00 0.00 C ATOM 1190 CD PRO A 77 4.650 -9.360 -10.234 1.00 0.00 C ATOM 0 HA PRO A 77 6.236 -6.539 -10.874 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.713 -6.700 -12.027 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.090 -7.582 -12.657 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.773 -8.610 -11.042 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.757 -9.461 -12.217 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.023 -9.711 -9.414 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.233 -10.214 -10.578 1.00 0.00 H new ATOM 1198 N VAL A 78 4.911 -4.688 -10.004 1.00 0.00 N ATOM 1199 CA VAL A 78 4.285 -3.559 -9.251 1.00 0.00 C ATOM 1200 C VAL A 78 4.179 -2.334 -10.166 1.00 0.00 C ATOM 1201 O VAL A 78 5.117 -1.578 -10.313 1.00 0.00 O ATOM 1202 CB VAL A 78 5.172 -3.216 -8.053 1.00 0.00 C ATOM 1203 CG1 VAL A 78 4.460 -2.206 -7.155 1.00 0.00 C ATOM 1204 CG2 VAL A 78 5.466 -4.489 -7.254 1.00 0.00 C ATOM 0 H VAL A 78 5.599 -4.407 -10.703 1.00 0.00 H new ATOM 0 HA VAL A 78 3.290 -3.846 -8.911 1.00 0.00 H new ATOM 0 HB VAL A 78 6.107 -2.784 -8.410 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.096 -1.965 -6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.253 -1.298 -7.722 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.523 -2.633 -6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.098 -4.245 -6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.530 -4.921 -6.901 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.980 -5.208 -7.892 1.00 0.00 H new ATOM 1214 N ILE A 79 3.050 -2.132 -10.789 1.00 0.00 N ATOM 1215 CA ILE A 79 2.908 -0.960 -11.705 1.00 0.00 C ATOM 1216 C ILE A 79 2.745 0.334 -10.904 1.00 0.00 C ATOM 1217 O ILE A 79 2.007 0.398 -9.945 1.00 0.00 O ATOM 1218 CB ILE A 79 1.685 -1.158 -12.600 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.868 -2.428 -13.434 1.00 0.00 C ATOM 1220 CG2 ILE A 79 1.536 0.045 -13.534 1.00 0.00 C ATOM 1221 CD1 ILE A 79 0.768 -2.504 -14.494 1.00 0.00 C ATOM 0 H ILE A 79 2.223 -2.723 -10.705 1.00 0.00 H new ATOM 0 HA ILE A 79 3.808 -0.884 -12.316 1.00 0.00 H new ATOM 0 HB ILE A 79 0.792 -1.251 -11.982 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.848 -2.425 -13.911 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.830 -3.307 -12.791 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.664 -0.096 -14.172 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.410 0.952 -12.942 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.428 0.137 -14.154 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.898 -3.408 -15.089 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.206 -2.527 -14.006 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.828 -1.631 -15.144 1.00 0.00 H new ATOM 1233 N ILE A 80 3.422 1.373 -11.302 1.00 0.00 N ATOM 1234 CA ILE A 80 3.297 2.664 -10.571 1.00 0.00 C ATOM 1235 C ILE A 80 2.939 3.771 -11.564 1.00 0.00 C ATOM 1236 O ILE A 80 3.706 4.100 -12.448 1.00 0.00 O ATOM 1237 CB ILE A 80 4.623 2.994 -9.885 1.00 0.00 C ATOM 1238 CG1 ILE A 80 5.785 2.600 -10.798 1.00 0.00 C ATOM 1239 CG2 ILE A 80 4.724 2.214 -8.573 1.00 0.00 C ATOM 1240 CD1 ILE A 80 7.075 3.236 -10.281 1.00 0.00 C ATOM 0 H ILE A 80 4.056 1.385 -12.101 1.00 0.00 H new ATOM 0 HA ILE A 80 2.514 2.585 -9.816 1.00 0.00 H new ATOM 0 HB ILE A 80 4.668 4.064 -9.681 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.888 1.515 -10.827 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.588 2.929 -11.818 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.669 2.448 -8.082 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.897 2.492 -7.920 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.678 1.145 -8.781 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.904 2.956 -10.931 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.969 4.321 -10.275 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.273 2.885 -9.268 1.00 0.00 H new ATOM 1252 N MET A 81 1.777 4.345 -11.428 1.00 0.00 N ATOM 1253 CA MET A 81 1.370 5.427 -12.364 1.00 0.00 C ATOM 1254 C MET A 81 2.265 6.644 -12.143 1.00 0.00 C ATOM 1255 O MET A 81 2.446 7.094 -11.032 1.00 0.00 O ATOM 1256 CB MET A 81 -0.090 5.806 -12.104 1.00 0.00 C ATOM 1257 CG MET A 81 -1.005 4.931 -12.961 1.00 0.00 C ATOM 1258 SD MET A 81 -1.295 3.357 -12.118 1.00 0.00 S ATOM 1259 CE MET A 81 -2.852 2.943 -12.943 1.00 0.00 C ATOM 0 H MET A 81 1.092 4.111 -10.709 1.00 0.00 H new ATOM 0 HA MET A 81 1.472 5.081 -13.393 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.328 5.675 -11.048 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.251 6.858 -12.339 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.952 5.441 -13.138 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.550 4.755 -13.936 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.111 1.905 -12.733 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.644 3.596 -12.575 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.741 3.078 -14.019 1.00 0.00 H new ATOM 1269 N THR A 82 2.827 7.174 -13.194 1.00 0.00 N ATOM 1270 CA THR A 82 3.717 8.364 -13.058 1.00 0.00 C ATOM 1271 C THR A 82 5.046 7.952 -12.407 1.00 0.00 C ATOM 1272 O THR A 82 6.044 7.790 -13.078 1.00 0.00 O ATOM 1273 CB THR A 82 3.022 9.438 -12.215 1.00 0.00 C ATOM 1274 OG1 THR A 82 1.624 9.400 -12.470 1.00 0.00 O ATOM 1275 CG2 THR A 82 3.569 10.815 -12.595 1.00 0.00 C ATOM 0 H THR A 82 2.708 6.832 -14.148 1.00 0.00 H new ATOM 0 HA THR A 82 3.924 8.773 -14.047 1.00 0.00 H new ATOM 0 HB THR A 82 3.208 9.251 -11.157 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.219 10.251 -12.202 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.076 11.580 -11.996 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.642 10.844 -12.408 1.00 0.00 H new ATOM 0 HG23 THR A 82 3.379 11.003 -13.652 1.00 0.00 H new ATOM 1283 N ALA A 83 5.074 7.783 -11.110 1.00 0.00 N ATOM 1284 CA ALA A 83 6.342 7.384 -10.435 1.00 0.00 C ATOM 1285 C ALA A 83 7.366 8.514 -10.562 1.00 0.00 C ATOM 1286 O ALA A 83 7.608 9.029 -11.635 1.00 0.00 O ATOM 1287 CB ALA A 83 6.894 6.116 -11.089 1.00 0.00 C ATOM 0 H ALA A 83 4.273 7.904 -10.491 1.00 0.00 H new ATOM 0 HA ALA A 83 6.146 7.190 -9.381 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.821 5.826 -10.595 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.165 5.311 -10.995 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.090 6.307 -12.144 1.00 0.00 H new ATOM 1293 N HIS A 84 7.964 8.905 -9.470 1.00 0.00 N ATOM 1294 CA HIS A 84 8.969 10.004 -9.519 1.00 0.00 C ATOM 1295 C HIS A 84 9.532 10.241 -8.121 1.00 0.00 C ATOM 1296 O HIS A 84 10.624 9.800 -7.821 1.00 0.00 O ATOM 1297 CB HIS A 84 8.306 11.286 -10.026 1.00 0.00 C ATOM 1298 CG HIS A 84 8.941 11.698 -11.326 1.00 0.00 C ATOM 1299 ND1 HIS A 84 10.093 12.467 -11.375 1.00 0.00 N ATOM 1300 CD2 HIS A 84 8.598 11.456 -12.634 1.00 0.00 C ATOM 1301 CE1 HIS A 84 10.400 12.659 -12.672 1.00 0.00 C ATOM 1302 NE2 HIS A 84 9.521 12.063 -13.481 1.00 0.00 N ATOM 0 H HIS A 84 7.799 8.510 -8.544 1.00 0.00 H new ATOM 0 HA HIS A 84 9.777 9.724 -10.195 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.237 11.125 -10.166 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.414 12.081 -9.288 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.742 10.882 -12.956 1.00 0.00 H new ATOM 0 HE1 HIS A 84 11.253 13.226 -13.016 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.525 12.054 -14.501 1.00 0.00 H new ATOM 1310 N SER A 85 8.822 10.951 -7.262 1.00 0.00 N ATOM 1311 CA SER A 85 9.384 11.219 -5.900 1.00 0.00 C ATOM 1312 C SER A 85 10.823 11.614 -6.119 1.00 0.00 C ATOM 1313 O SER A 85 11.731 11.163 -5.449 1.00 0.00 O ATOM 1314 CB SER A 85 9.299 9.954 -5.046 1.00 0.00 C ATOM 1315 OG SER A 85 10.215 10.053 -3.963 1.00 0.00 O ATOM 0 H SER A 85 7.899 11.346 -7.444 1.00 0.00 H new ATOM 0 HA SER A 85 8.834 12.002 -5.378 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.285 9.824 -4.668 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.528 9.077 -5.651 1.00 0.00 H new ATOM 0 HG SER A 85 11.132 10.024 -4.307 1.00 0.00 H new ATOM 1321 N ASP A 86 11.032 12.401 -7.134 1.00 0.00 N ATOM 1322 CA ASP A 86 12.403 12.769 -7.497 1.00 0.00 C ATOM 1323 C ASP A 86 13.020 11.492 -8.043 1.00 0.00 C ATOM 1324 O ASP A 86 12.865 10.438 -7.450 1.00 0.00 O ATOM 1325 CB ASP A 86 13.168 13.244 -6.258 1.00 0.00 C ATOM 1326 CG ASP A 86 14.093 14.400 -6.637 1.00 0.00 C ATOM 1327 OD1 ASP A 86 13.626 15.527 -6.654 1.00 0.00 O ATOM 1328 OD2 ASP A 86 15.255 14.141 -6.904 1.00 0.00 O ATOM 0 H ASP A 86 10.302 12.801 -7.723 1.00 0.00 H new ATOM 0 HA ASP A 86 12.434 13.582 -8.223 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.468 13.564 -5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.749 12.422 -5.840 1.00 0.00 H new ATOM 1333 N LEU A 87 13.663 11.546 -9.181 1.00 0.00 N ATOM 1334 CA LEU A 87 14.251 10.300 -9.763 1.00 0.00 C ATOM 1335 C LEU A 87 14.783 9.419 -8.628 1.00 0.00 C ATOM 1336 O LEU A 87 14.811 8.217 -8.711 1.00 0.00 O ATOM 1337 CB LEU A 87 15.387 10.675 -10.700 1.00 0.00 C ATOM 1338 CG LEU A 87 14.931 10.515 -12.152 1.00 0.00 C ATOM 1339 CD1 LEU A 87 14.688 9.036 -12.453 1.00 0.00 C ATOM 1340 CD2 LEU A 87 13.633 11.297 -12.364 1.00 0.00 C ATOM 0 H LEU A 87 13.806 12.393 -9.731 1.00 0.00 H new ATOM 0 HA LEU A 87 13.490 9.753 -10.320 1.00 0.00 H new ATOM 0 HB2 LEU A 87 15.698 11.704 -10.517 1.00 0.00 H new ATOM 0 HB3 LEU A 87 16.253 10.042 -10.509 1.00 0.00 H new ATOM 0 HG LEU A 87 15.703 10.898 -12.820 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.363 8.924 -13.487 1.00 0.00 H new ATOM 0 HD12 LEU A 87 15.611 8.477 -12.300 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.916 8.651 -11.787 1.00 0.00 H new ATOM 0 HD21 LEU A 87 13.305 11.185 -13.398 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.863 10.912 -11.696 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.805 12.352 -12.150 1.00 0.00 H new ATOM 1352 N ASP A 88 15.184 10.024 -7.550 1.00 0.00 N ATOM 1353 CA ASP A 88 15.680 9.245 -6.388 1.00 0.00 C ATOM 1354 C ASP A 88 14.885 7.946 -6.252 1.00 0.00 C ATOM 1355 O ASP A 88 15.417 6.861 -6.387 1.00 0.00 O ATOM 1356 CB ASP A 88 15.473 10.087 -5.125 1.00 0.00 C ATOM 1357 CG ASP A 88 16.774 10.148 -4.323 1.00 0.00 C ATOM 1358 OD1 ASP A 88 17.623 9.300 -4.541 1.00 0.00 O ATOM 1359 OD2 ASP A 88 16.899 11.043 -3.503 1.00 0.00 O ATOM 0 H ASP A 88 15.189 11.036 -7.423 1.00 0.00 H new ATOM 0 HA ASP A 88 16.734 9.005 -6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 88 15.155 11.094 -5.396 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.679 9.655 -4.515 1.00 0.00 H new ATOM 1364 N ALA A 89 13.613 8.049 -5.998 1.00 0.00 N ATOM 1365 CA ALA A 89 12.782 6.824 -5.868 1.00 0.00 C ATOM 1366 C ALA A 89 12.407 6.329 -7.264 1.00 0.00 C ATOM 1367 O ALA A 89 12.275 5.144 -7.496 1.00 0.00 O ATOM 1368 CB ALA A 89 11.513 7.146 -5.080 1.00 0.00 C ATOM 0 H ALA A 89 13.113 8.929 -5.875 1.00 0.00 H new ATOM 0 HA ALA A 89 13.343 6.052 -5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.905 6.246 -4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.783 7.507 -4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.945 7.915 -5.604 1.00 0.00 H new ATOM 1374 N ALA A 90 12.239 7.225 -8.202 1.00 0.00 N ATOM 1375 CA ALA A 90 11.879 6.788 -9.582 1.00 0.00 C ATOM 1376 C ALA A 90 13.025 5.948 -10.155 1.00 0.00 C ATOM 1377 O ALA A 90 12.874 4.763 -10.374 1.00 0.00 O ATOM 1378 CB ALA A 90 11.642 8.016 -10.461 1.00 0.00 C ATOM 0 H ALA A 90 12.335 8.232 -8.073 1.00 0.00 H new ATOM 0 HA ALA A 90 10.968 6.190 -9.556 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.379 7.696 -11.469 1.00 0.00 H new ATOM 0 HB2 ALA A 90 10.828 8.610 -10.045 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.550 8.619 -10.497 1.00 0.00 H new ATOM 1384 N VAL A 91 14.157 6.574 -10.393 1.00 0.00 N ATOM 1385 CA VAL A 91 15.370 5.880 -10.948 1.00 0.00 C ATOM 1386 C VAL A 91 15.242 4.351 -10.850 1.00 0.00 C ATOM 1387 O VAL A 91 15.382 3.647 -11.831 1.00 0.00 O ATOM 1388 CB VAL A 91 16.617 6.379 -10.176 1.00 0.00 C ATOM 1389 CG1 VAL A 91 16.998 5.419 -9.038 1.00 0.00 C ATOM 1390 CG2 VAL A 91 17.793 6.498 -11.147 1.00 0.00 C ATOM 0 H VAL A 91 14.294 7.570 -10.220 1.00 0.00 H new ATOM 0 HA VAL A 91 15.467 6.120 -12.007 1.00 0.00 H new ATOM 0 HB VAL A 91 16.381 7.349 -9.738 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.877 5.801 -8.519 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.168 5.339 -8.336 1.00 0.00 H new ATOM 0 HG13 VAL A 91 17.220 4.435 -9.451 1.00 0.00 H new ATOM 0 HG21 VAL A 91 18.674 6.849 -10.610 1.00 0.00 H new ATOM 0 HG22 VAL A 91 18.001 5.523 -11.588 1.00 0.00 H new ATOM 0 HG23 VAL A 91 17.543 7.207 -11.936 1.00 0.00 H new ATOM 1400 N SER A 92 14.974 3.832 -9.683 1.00 0.00 N ATOM 1401 CA SER A 92 14.836 2.356 -9.539 1.00 0.00 C ATOM 1402 C SER A 92 13.668 1.876 -10.403 1.00 0.00 C ATOM 1403 O SER A 92 13.297 2.519 -11.364 1.00 0.00 O ATOM 1404 CB SER A 92 14.566 2.013 -8.074 1.00 0.00 C ATOM 1405 OG SER A 92 15.463 0.991 -7.658 1.00 0.00 O ATOM 0 H SER A 92 14.845 4.366 -8.824 1.00 0.00 H new ATOM 0 HA SER A 92 15.754 1.865 -9.861 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.692 2.899 -7.452 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.535 1.681 -7.950 1.00 0.00 H new ATOM 0 HG SER A 92 15.762 1.171 -6.742 1.00 0.00 H new ATOM 1411 N ALA A 93 13.083 0.756 -10.067 1.00 0.00 N ATOM 1412 CA ALA A 93 11.933 0.241 -10.866 1.00 0.00 C ATOM 1413 C ALA A 93 12.441 -0.442 -12.138 1.00 0.00 C ATOM 1414 O ALA A 93 12.441 -1.652 -12.245 1.00 0.00 O ATOM 1415 CB ALA A 93 11.011 1.402 -11.247 1.00 0.00 C ATOM 0 H ALA A 93 13.353 0.176 -9.273 1.00 0.00 H new ATOM 0 HA ALA A 93 11.382 -0.483 -10.266 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.172 1.024 -11.831 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.637 1.882 -10.342 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.567 2.129 -11.840 1.00 0.00 H new ATOM 1421 N TYR A 94 12.862 0.322 -13.109 1.00 0.00 N ATOM 1422 CA TYR A 94 13.354 -0.288 -14.377 1.00 0.00 C ATOM 1423 C TYR A 94 14.784 -0.805 -14.191 1.00 0.00 C ATOM 1424 O TYR A 94 15.415 -1.252 -15.128 1.00 0.00 O ATOM 1425 CB TYR A 94 13.328 0.759 -15.493 1.00 0.00 C ATOM 1426 CG TYR A 94 14.284 1.880 -15.160 1.00 0.00 C ATOM 1427 CD1 TYR A 94 15.662 1.698 -15.329 1.00 0.00 C ATOM 1428 CD2 TYR A 94 13.792 3.101 -14.687 1.00 0.00 C ATOM 1429 CE1 TYR A 94 16.548 2.738 -15.023 1.00 0.00 C ATOM 1430 CE2 TYR A 94 14.677 4.141 -14.381 1.00 0.00 C ATOM 1431 CZ TYR A 94 16.055 3.959 -14.550 1.00 0.00 C ATOM 1432 OH TYR A 94 16.928 4.985 -14.249 1.00 0.00 O ATOM 0 H TYR A 94 12.887 1.341 -13.079 1.00 0.00 H new ATOM 0 HA TYR A 94 12.706 -1.123 -14.645 1.00 0.00 H new ATOM 0 HB2 TYR A 94 13.606 0.300 -16.442 1.00 0.00 H new ATOM 0 HB3 TYR A 94 12.318 1.152 -15.613 1.00 0.00 H new ATOM 0 HD1 TYR A 94 16.041 0.756 -15.695 1.00 0.00 H new ATOM 0 HD2 TYR A 94 12.729 3.241 -14.558 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.611 2.598 -15.152 1.00 0.00 H new ATOM 0 HE2 TYR A 94 14.297 5.083 -14.015 1.00 0.00 H new ATOM 0 HH TYR A 94 16.422 5.763 -13.934 1.00 0.00 H new ATOM 1442 N GLN A 95 15.299 -0.755 -12.994 1.00 0.00 N ATOM 1443 CA GLN A 95 16.686 -1.251 -12.763 1.00 0.00 C ATOM 1444 C GLN A 95 16.686 -2.781 -12.786 1.00 0.00 C ATOM 1445 O GLN A 95 17.678 -3.407 -13.105 1.00 0.00 O ATOM 1446 CB GLN A 95 17.187 -0.764 -11.403 1.00 0.00 C ATOM 1447 CG GLN A 95 18.595 -0.185 -11.557 1.00 0.00 C ATOM 1448 CD GLN A 95 19.526 -0.824 -10.524 1.00 0.00 C ATOM 1449 OE1 GLN A 95 19.111 -1.140 -9.427 1.00 0.00 O ATOM 1450 NE2 GLN A 95 20.779 -1.032 -10.830 1.00 0.00 N ATOM 0 H GLN A 95 14.822 -0.394 -12.168 1.00 0.00 H new ATOM 0 HA GLN A 95 17.342 -0.871 -13.546 1.00 0.00 H new ATOM 0 HB2 GLN A 95 16.512 -0.007 -11.005 1.00 0.00 H new ATOM 0 HB3 GLN A 95 17.197 -1.589 -10.690 1.00 0.00 H new ATOM 0 HG2 GLN A 95 18.968 -0.372 -12.564 1.00 0.00 H new ATOM 0 HG3 GLN A 95 18.572 0.896 -11.422 1.00 0.00 H new ATOM 0 HE21 GLN A 95 21.130 -0.768 -11.751 1.00 0.00 H new ATOM 0 HE22 GLN A 95 21.406 -1.459 -10.148 1.00 0.00 H new ATOM 1459 N GLN A 96 15.579 -3.386 -12.452 1.00 0.00 N ATOM 1460 CA GLN A 96 15.511 -4.875 -12.454 1.00 0.00 C ATOM 1461 C GLN A 96 14.292 -5.329 -11.647 1.00 0.00 C ATOM 1462 O GLN A 96 14.391 -6.165 -10.771 1.00 0.00 O ATOM 1463 CB GLN A 96 16.781 -5.446 -11.823 1.00 0.00 C ATOM 1464 CG GLN A 96 17.670 -6.039 -12.918 1.00 0.00 C ATOM 1465 CD GLN A 96 18.058 -7.471 -12.544 1.00 0.00 C ATOM 1466 OE1 GLN A 96 17.707 -8.407 -13.234 1.00 0.00 O ATOM 1467 NE2 GLN A 96 18.770 -7.682 -11.472 1.00 0.00 N ATOM 0 H GLN A 96 14.718 -2.913 -12.178 1.00 0.00 H new ATOM 0 HA GLN A 96 15.424 -5.233 -13.480 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.318 -4.663 -11.288 1.00 0.00 H new ATOM 0 HB3 GLN A 96 16.524 -6.213 -11.093 1.00 0.00 H new ATOM 0 HG2 GLN A 96 17.143 -6.032 -13.872 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.565 -5.430 -13.043 1.00 0.00 H new ATOM 0 HE21 GLN A 96 19.065 -6.896 -10.893 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.032 -8.633 -11.213 1.00 0.00 H new ATOM 1476 N GLY A 97 13.143 -4.784 -11.935 1.00 0.00 N ATOM 1477 CA GLY A 97 11.919 -5.184 -11.184 1.00 0.00 C ATOM 1478 C GLY A 97 10.940 -5.872 -12.135 1.00 0.00 C ATOM 1479 O GLY A 97 11.335 -6.559 -13.056 1.00 0.00 O ATOM 0 H GLY A 97 12.998 -4.079 -12.658 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.184 -5.857 -10.368 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.452 -4.307 -10.736 1.00 0.00 H new ATOM 1483 N ALA A 98 9.666 -5.695 -11.920 1.00 0.00 N ATOM 1484 CA ALA A 98 8.666 -6.342 -12.814 1.00 0.00 C ATOM 1485 C ALA A 98 7.526 -5.362 -13.106 1.00 0.00 C ATOM 1486 O ALA A 98 6.404 -5.559 -12.685 1.00 0.00 O ATOM 1487 CB ALA A 98 8.103 -7.589 -12.129 1.00 0.00 C ATOM 0 H ALA A 98 9.275 -5.131 -11.165 1.00 0.00 H new ATOM 0 HA ALA A 98 9.147 -6.625 -13.750 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.371 -8.064 -12.782 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.913 -8.288 -11.924 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.623 -7.304 -11.193 1.00 0.00 H new ATOM 1493 N PHE A 99 7.805 -4.309 -13.826 1.00 0.00 N ATOM 1494 CA PHE A 99 6.736 -3.319 -14.151 1.00 0.00 C ATOM 1495 C PHE A 99 7.361 -2.081 -14.795 1.00 0.00 C ATOM 1496 O PHE A 99 8.552 -2.020 -15.023 1.00 0.00 O ATOM 1497 CB PHE A 99 5.990 -2.905 -12.878 1.00 0.00 C ATOM 1498 CG PHE A 99 6.963 -2.376 -11.849 1.00 0.00 C ATOM 1499 CD1 PHE A 99 7.620 -3.256 -10.979 1.00 0.00 C ATOM 1500 CD2 PHE A 99 7.191 -0.999 -11.754 1.00 0.00 C ATOM 1501 CE1 PHE A 99 8.507 -2.758 -10.018 1.00 0.00 C ATOM 1502 CE2 PHE A 99 8.078 -0.501 -10.793 1.00 0.00 C ATOM 1503 CZ PHE A 99 8.736 -1.380 -9.925 1.00 0.00 C ATOM 0 H PHE A 99 8.727 -4.091 -14.204 1.00 0.00 H new ATOM 0 HA PHE A 99 6.031 -3.779 -14.844 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.249 -2.141 -13.114 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.449 -3.759 -12.471 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.442 -4.319 -11.050 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.682 -0.320 -12.422 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.015 -3.436 -9.348 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.255 0.562 -10.721 1.00 0.00 H new ATOM 0 HZ PHE A 99 9.420 -0.995 -9.183 1.00 0.00 H new ATOM 1513 N ASP A 100 6.561 -1.096 -15.093 1.00 0.00 N ATOM 1514 CA ASP A 100 7.102 0.140 -15.726 1.00 0.00 C ATOM 1515 C ASP A 100 6.235 1.334 -15.324 1.00 0.00 C ATOM 1516 O ASP A 100 5.316 1.210 -14.539 1.00 0.00 O ATOM 1517 CB ASP A 100 7.084 -0.015 -17.248 1.00 0.00 C ATOM 1518 CG ASP A 100 8.247 0.772 -17.856 1.00 0.00 C ATOM 1519 OD1 ASP A 100 9.324 0.733 -17.287 1.00 0.00 O ATOM 1520 OD2 ASP A 100 8.039 1.401 -18.881 1.00 0.00 O ATOM 0 H ASP A 100 5.555 -1.093 -14.926 1.00 0.00 H new ATOM 0 HA ASP A 100 8.127 0.303 -15.392 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.163 -1.068 -17.518 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.137 0.346 -17.650 1.00 0.00 H new ATOM 1525 N TYR A 101 6.519 2.490 -15.855 1.00 0.00 N ATOM 1526 CA TYR A 101 5.711 3.689 -15.499 1.00 0.00 C ATOM 1527 C TYR A 101 4.429 3.700 -16.335 1.00 0.00 C ATOM 1528 O TYR A 101 4.462 3.549 -17.540 1.00 0.00 O ATOM 1529 CB TYR A 101 6.521 4.955 -15.787 1.00 0.00 C ATOM 1530 CG TYR A 101 7.555 5.167 -14.700 1.00 0.00 C ATOM 1531 CD1 TYR A 101 7.980 4.092 -13.907 1.00 0.00 C ATOM 1532 CD2 TYR A 101 8.093 6.443 -14.490 1.00 0.00 C ATOM 1533 CE1 TYR A 101 8.939 4.294 -12.908 1.00 0.00 C ATOM 1534 CE2 TYR A 101 9.052 6.643 -13.489 1.00 0.00 C ATOM 1535 CZ TYR A 101 9.474 5.569 -12.698 1.00 0.00 C ATOM 1536 OH TYR A 101 10.419 5.766 -11.712 1.00 0.00 O ATOM 0 H TYR A 101 7.275 2.656 -16.519 1.00 0.00 H new ATOM 0 HA TYR A 101 5.456 3.657 -14.440 1.00 0.00 H new ATOM 0 HB2 TYR A 101 7.012 4.870 -16.756 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.856 5.817 -15.841 1.00 0.00 H new ATOM 0 HD1 TYR A 101 7.567 3.107 -14.067 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.768 7.273 -15.100 1.00 0.00 H new ATOM 0 HE1 TYR A 101 9.266 3.465 -12.299 1.00 0.00 H new ATOM 0 HE2 TYR A 101 9.466 7.627 -13.328 1.00 0.00 H new ATOM 0 HH TYR A 101 11.033 5.002 -11.690 1.00 0.00 H new ATOM 1546 N LEU A 102 3.296 3.875 -15.707 1.00 0.00 N ATOM 1547 CA LEU A 102 2.017 3.893 -16.474 1.00 0.00 C ATOM 1548 C LEU A 102 1.389 5.286 -16.383 1.00 0.00 C ATOM 1549 O LEU A 102 1.015 5.729 -15.316 1.00 0.00 O ATOM 1550 CB LEU A 102 1.053 2.856 -15.889 1.00 0.00 C ATOM 1551 CG LEU A 102 0.128 2.336 -16.993 1.00 0.00 C ATOM 1552 CD1 LEU A 102 0.410 0.853 -17.240 1.00 0.00 C ATOM 1553 CD2 LEU A 102 -1.331 2.507 -16.561 1.00 0.00 C ATOM 0 H LEU A 102 3.202 4.006 -14.700 1.00 0.00 H new ATOM 0 HA LEU A 102 2.216 3.651 -17.518 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.613 2.030 -15.451 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.464 3.303 -15.088 1.00 0.00 H new ATOM 0 HG LEU A 102 0.307 2.900 -17.909 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.249 0.483 -18.026 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.448 0.726 -17.547 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.232 0.291 -16.323 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -1.989 2.137 -17.347 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.508 1.944 -15.645 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.536 3.563 -16.383 1.00 0.00 H new ATOM 1565 N PRO A 103 1.292 5.933 -17.515 1.00 0.00 N ATOM 1566 CA PRO A 103 0.692 7.285 -17.511 1.00 0.00 C ATOM 1567 C PRO A 103 -0.589 7.303 -18.348 1.00 0.00 C ATOM 1568 O PRO A 103 -0.910 6.354 -19.035 1.00 0.00 O ATOM 1569 CB PRO A 103 1.758 8.180 -18.141 1.00 0.00 C ATOM 1570 CG PRO A 103 2.654 7.255 -18.984 1.00 0.00 C ATOM 1571 CD PRO A 103 2.448 5.833 -18.438 1.00 0.00 C ATOM 0 HA PRO A 103 0.415 7.614 -16.510 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.301 8.951 -18.762 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.339 8.691 -17.374 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.384 7.309 -20.039 1.00 0.00 H new ATOM 0 HG3 PRO A 103 3.700 7.552 -18.907 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.248 5.127 -19.244 1.00 0.00 H new ATOM 0 HD3 PRO A 103 3.338 5.479 -17.917 1.00 0.00 H new ATOM 1579 N LYS A 104 -1.321 8.381 -18.294 1.00 0.00 N ATOM 1580 CA LYS A 104 -2.581 8.473 -19.082 1.00 0.00 C ATOM 1581 C LYS A 104 -2.253 8.396 -20.578 1.00 0.00 C ATOM 1582 O LYS A 104 -1.141 8.680 -20.977 1.00 0.00 O ATOM 1583 CB LYS A 104 -3.268 9.805 -18.778 1.00 0.00 C ATOM 1584 CG LYS A 104 -3.847 9.769 -17.363 1.00 0.00 C ATOM 1585 CD LYS A 104 -4.596 11.073 -17.084 1.00 0.00 C ATOM 1586 CE LYS A 104 -4.282 11.545 -15.662 1.00 0.00 C ATOM 1587 NZ LYS A 104 -4.282 10.375 -14.740 1.00 0.00 N ATOM 0 H LYS A 104 -1.099 9.205 -17.736 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.243 7.650 -18.814 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.554 10.624 -18.870 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.061 9.991 -19.502 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.522 8.920 -17.256 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.047 9.634 -16.635 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.302 11.836 -17.805 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -5.669 10.921 -17.200 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.312 12.041 -15.638 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.022 12.277 -15.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.576 10.681 -13.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.945 9.655 -15.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.325 9.970 -14.693 1.00 0.00 H new ATOM 1601 N PRO A 105 -3.234 8.017 -21.367 1.00 0.00 N ATOM 1602 CA PRO A 105 -4.566 7.686 -20.807 1.00 0.00 C ATOM 1603 C PRO A 105 -4.544 6.279 -20.208 1.00 0.00 C ATOM 1604 O PRO A 105 -3.678 5.482 -20.512 1.00 0.00 O ATOM 1605 CB PRO A 105 -5.508 7.743 -22.008 1.00 0.00 C ATOM 1606 CG PRO A 105 -4.629 7.525 -23.255 1.00 0.00 C ATOM 1607 CD PRO A 105 -3.185 7.854 -22.839 1.00 0.00 C ATOM 0 HA PRO A 105 -4.871 8.365 -20.011 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.278 6.975 -21.935 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.020 8.704 -22.056 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -4.706 6.497 -23.608 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -4.952 8.168 -24.074 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.501 7.055 -23.124 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.833 8.764 -23.325 1.00 0.00 H new ATOM 1615 N PHE A 106 -5.485 5.962 -19.363 1.00 0.00 N ATOM 1616 CA PHE A 106 -5.504 4.602 -18.758 1.00 0.00 C ATOM 1617 C PHE A 106 -6.955 4.129 -18.607 1.00 0.00 C ATOM 1618 O PHE A 106 -7.791 4.826 -18.066 1.00 0.00 O ATOM 1619 CB PHE A 106 -4.803 4.643 -17.386 1.00 0.00 C ATOM 1620 CG PHE A 106 -5.802 4.916 -16.284 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -6.469 3.849 -15.668 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -6.065 6.231 -15.882 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -7.398 4.095 -14.652 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -6.996 6.479 -14.864 1.00 0.00 C ATOM 1625 CZ PHE A 106 -7.662 5.411 -14.250 1.00 0.00 C ATOM 0 H PHE A 106 -6.238 6.583 -19.066 1.00 0.00 H new ATOM 0 HA PHE A 106 -4.974 3.902 -19.403 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.300 3.694 -17.201 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -4.035 5.416 -17.387 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -6.265 2.835 -15.978 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.551 7.054 -16.356 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -7.911 3.272 -14.178 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -7.200 7.493 -14.553 1.00 0.00 H new ATOM 0 HZ PHE A 106 -8.380 5.602 -13.466 1.00 0.00 H new ATOM 1635 N ASP A 107 -7.260 2.949 -19.069 1.00 0.00 N ATOM 1636 CA ASP A 107 -8.646 2.438 -18.938 1.00 0.00 C ATOM 1637 C ASP A 107 -8.759 1.653 -17.630 1.00 0.00 C ATOM 1638 O ASP A 107 -8.103 1.962 -16.656 1.00 0.00 O ATOM 1639 CB ASP A 107 -8.951 1.518 -20.118 1.00 0.00 C ATOM 1640 CG ASP A 107 -10.454 1.526 -20.402 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -10.976 2.590 -20.690 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -11.056 0.468 -20.326 1.00 0.00 O ATOM 0 H ASP A 107 -6.606 2.318 -19.532 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.355 3.266 -18.932 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -8.403 1.848 -21.000 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -8.618 0.504 -19.897 1.00 0.00 H new ATOM 1647 N ILE A 108 -9.571 0.636 -17.599 1.00 0.00 N ATOM 1648 CA ILE A 108 -9.703 -0.166 -16.351 1.00 0.00 C ATOM 1649 C ILE A 108 -9.283 -1.604 -16.650 1.00 0.00 C ATOM 1650 O ILE A 108 -8.252 -2.061 -16.204 1.00 0.00 O ATOM 1651 CB ILE A 108 -11.159 -0.099 -15.846 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -11.252 0.929 -14.717 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -11.625 -1.462 -15.317 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -12.285 1.998 -15.078 1.00 0.00 C ATOM 0 H ILE A 108 -10.148 0.325 -18.381 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.059 0.233 -15.567 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.799 0.188 -16.680 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.534 0.437 -13.786 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.279 1.391 -14.552 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.655 -1.384 -14.968 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.568 -2.201 -16.116 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.984 -1.770 -14.491 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -12.349 2.729 -14.272 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -11.984 2.498 -15.999 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -13.259 1.529 -15.221 1.00 0.00 H new ATOM 1666 N ASP A 109 -10.059 -2.317 -17.413 1.00 0.00 N ATOM 1667 CA ASP A 109 -9.676 -3.707 -17.742 1.00 0.00 C ATOM 1668 C ASP A 109 -8.367 -3.658 -18.505 1.00 0.00 C ATOM 1669 O ASP A 109 -7.459 -4.421 -18.258 1.00 0.00 O ATOM 1670 CB ASP A 109 -10.759 -4.320 -18.617 1.00 0.00 C ATOM 1671 CG ASP A 109 -10.522 -5.824 -18.761 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -9.712 -6.200 -19.593 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -11.153 -6.576 -18.035 1.00 0.00 O ATOM 0 H ASP A 109 -10.938 -1.996 -17.820 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.563 -4.307 -16.839 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.740 -4.138 -18.178 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.757 -3.847 -19.599 1.00 0.00 H new ATOM 1678 N GLU A 110 -8.255 -2.738 -19.414 1.00 0.00 N ATOM 1679 CA GLU A 110 -6.988 -2.607 -20.172 1.00 0.00 C ATOM 1680 C GLU A 110 -5.844 -2.667 -19.160 1.00 0.00 C ATOM 1681 O GLU A 110 -4.873 -3.379 -19.338 1.00 0.00 O ATOM 1682 CB GLU A 110 -6.979 -1.260 -20.895 1.00 0.00 C ATOM 1683 CG GLU A 110 -5.650 -1.066 -21.629 1.00 0.00 C ATOM 1684 CD GLU A 110 -4.567 -0.648 -20.633 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -4.922 -0.153 -19.576 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -3.401 -0.833 -20.944 1.00 0.00 O ATOM 0 H GLU A 110 -8.985 -2.072 -19.665 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.882 -3.401 -20.911 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.805 -1.214 -21.604 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.129 -0.453 -20.178 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.361 -1.991 -22.128 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.759 -0.306 -22.403 1.00 0.00 H new ATOM 1693 N ALA A 111 -5.979 -1.943 -18.076 1.00 0.00 N ATOM 1694 CA ALA A 111 -4.938 -1.963 -17.029 1.00 0.00 C ATOM 1695 C ALA A 111 -4.970 -3.318 -16.318 1.00 0.00 C ATOM 1696 O ALA A 111 -4.131 -4.166 -16.545 1.00 0.00 O ATOM 1697 CB ALA A 111 -5.250 -0.852 -16.033 1.00 0.00 C ATOM 0 H ALA A 111 -6.776 -1.338 -17.880 1.00 0.00 H new ATOM 0 HA ALA A 111 -3.950 -1.811 -17.463 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.494 -0.845 -15.247 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.248 0.109 -16.547 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.231 -1.025 -15.591 1.00 0.00 H new ATOM 1703 N VAL A 112 -5.925 -3.518 -15.442 1.00 0.00 N ATOM 1704 CA VAL A 112 -6.013 -4.801 -14.694 1.00 0.00 C ATOM 1705 C VAL A 112 -5.649 -5.969 -15.608 1.00 0.00 C ATOM 1706 O VAL A 112 -4.603 -6.569 -15.480 1.00 0.00 O ATOM 1707 CB VAL A 112 -7.449 -4.981 -14.207 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -7.620 -6.382 -13.624 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -7.751 -3.941 -13.127 1.00 0.00 C ATOM 0 H VAL A 112 -6.651 -2.838 -15.215 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.321 -4.779 -13.852 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.135 -4.851 -15.044 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.645 -6.509 -13.277 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.402 -7.125 -14.392 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -6.935 -6.514 -12.787 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -8.776 -4.067 -12.777 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -7.063 -4.074 -12.292 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -7.629 -2.940 -13.541 1.00 0.00 H new ATOM 1719 N ALA A 113 -6.520 -6.286 -16.529 1.00 0.00 N ATOM 1720 CA ALA A 113 -6.265 -7.413 -17.473 1.00 0.00 C ATOM 1721 C ALA A 113 -4.787 -7.454 -17.862 1.00 0.00 C ATOM 1722 O ALA A 113 -4.093 -8.401 -17.549 1.00 0.00 O ATOM 1723 CB ALA A 113 -7.114 -7.221 -18.731 1.00 0.00 C ATOM 0 H ALA A 113 -7.409 -5.805 -16.669 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.530 -8.351 -16.985 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -6.930 -8.043 -19.423 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -8.169 -7.205 -18.459 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -6.848 -6.278 -19.209 1.00 0.00 H new ATOM 1729 N LEU A 114 -4.307 -6.445 -18.555 1.00 0.00 N ATOM 1730 CA LEU A 114 -2.878 -6.423 -18.980 1.00 0.00 C ATOM 1731 C LEU A 114 -2.017 -7.077 -17.905 1.00 0.00 C ATOM 1732 O LEU A 114 -1.215 -7.951 -18.170 1.00 0.00 O ATOM 1733 CB LEU A 114 -2.451 -4.969 -19.148 1.00 0.00 C ATOM 1734 CG LEU A 114 -0.936 -4.898 -19.352 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -0.517 -5.905 -20.425 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -0.547 -3.486 -19.799 1.00 0.00 C ATOM 0 H LEU A 114 -4.852 -5.633 -18.844 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.757 -6.966 -19.917 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.964 -4.525 -20.001 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.737 -4.392 -18.269 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.432 -5.135 -18.415 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.562 -5.854 -20.570 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.794 -6.911 -20.108 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.021 -5.669 -21.362 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.532 -3.435 -19.944 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.051 -3.249 -20.736 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.845 -2.768 -19.035 1.00 0.00 H new ATOM 1748 N VAL A 115 -2.205 -6.667 -16.687 1.00 0.00 N ATOM 1749 CA VAL A 115 -1.433 -7.259 -15.569 1.00 0.00 C ATOM 1750 C VAL A 115 -1.739 -8.763 -15.506 1.00 0.00 C ATOM 1751 O VAL A 115 -0.844 -9.584 -15.542 1.00 0.00 O ATOM 1752 CB VAL A 115 -1.851 -6.556 -14.265 1.00 0.00 C ATOM 1753 CG1 VAL A 115 -1.810 -7.529 -13.086 1.00 0.00 C ATOM 1754 CG2 VAL A 115 -0.892 -5.395 -13.993 1.00 0.00 C ATOM 0 H VAL A 115 -2.867 -5.940 -16.416 1.00 0.00 H new ATOM 0 HA VAL A 115 -0.361 -7.126 -15.714 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.871 -6.188 -14.377 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.109 -7.010 -12.175 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -2.494 -8.357 -13.273 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.797 -7.915 -12.968 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.182 -4.892 -13.070 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.124 -5.778 -13.894 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.934 -4.687 -14.821 1.00 0.00 H new ATOM 1764 N GLU A 116 -2.997 -9.113 -15.394 1.00 0.00 N ATOM 1765 CA GLU A 116 -3.388 -10.555 -15.311 1.00 0.00 C ATOM 1766 C GLU A 116 -2.459 -11.407 -16.177 1.00 0.00 C ATOM 1767 O GLU A 116 -1.981 -12.444 -15.761 1.00 0.00 O ATOM 1768 CB GLU A 116 -4.825 -10.714 -15.818 1.00 0.00 C ATOM 1769 CG GLU A 116 -5.354 -12.097 -15.429 1.00 0.00 C ATOM 1770 CD GLU A 116 -5.918 -12.798 -16.667 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -6.841 -12.264 -17.258 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -5.417 -13.860 -17.002 1.00 0.00 O ATOM 0 H GLU A 116 -3.776 -8.456 -15.356 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.313 -10.884 -14.275 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.460 -9.937 -15.392 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.855 -10.593 -16.901 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -4.553 -12.695 -14.994 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.129 -12.000 -14.669 1.00 0.00 H new ATOM 1779 N ARG A 117 -2.201 -10.974 -17.379 1.00 0.00 N ATOM 1780 CA ARG A 117 -1.307 -11.754 -18.278 1.00 0.00 C ATOM 1781 C ARG A 117 0.130 -11.665 -17.768 1.00 0.00 C ATOM 1782 O ARG A 117 0.794 -12.665 -17.585 1.00 0.00 O ATOM 1783 CB ARG A 117 -1.388 -11.181 -19.694 1.00 0.00 C ATOM 1784 CG ARG A 117 -2.854 -10.927 -20.055 1.00 0.00 C ATOM 1785 CD ARG A 117 -2.996 -10.826 -21.573 1.00 0.00 C ATOM 1786 NE ARG A 117 -1.865 -10.027 -22.123 1.00 0.00 N ATOM 1787 CZ ARG A 117 -1.009 -10.580 -22.939 1.00 0.00 C ATOM 1788 NH1 ARG A 117 -0.763 -11.858 -22.861 1.00 0.00 N ATOM 1789 NH2 ARG A 117 -0.396 -9.851 -23.832 1.00 0.00 N ATOM 0 H ARG A 117 -2.572 -10.112 -17.778 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.620 -12.798 -18.291 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -0.820 -10.253 -19.756 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -0.942 -11.876 -20.406 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -3.478 -11.735 -19.674 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -3.201 -10.007 -19.585 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -3.002 -11.822 -22.016 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -3.946 -10.357 -21.830 1.00 0.00 H new ATOM 0 HE ARG A 117 -1.759 -9.047 -21.862 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -1.240 -12.427 -22.162 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -0.094 -12.288 -23.499 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -0.586 -8.851 -23.891 1.00 0.00 H new ATOM 0 HH22 ARG A 117 0.273 -10.282 -24.470 1.00 0.00 H new ATOM 1803 N ALA A 118 0.617 -10.480 -17.531 1.00 0.00 N ATOM 1804 CA ALA A 118 2.009 -10.346 -17.027 1.00 0.00 C ATOM 1805 C ALA A 118 2.216 -11.332 -15.876 1.00 0.00 C ATOM 1806 O ALA A 118 2.977 -12.271 -15.988 1.00 0.00 O ATOM 1807 CB ALA A 118 2.242 -8.918 -16.530 1.00 0.00 C ATOM 0 H ALA A 118 0.114 -9.603 -17.664 1.00 0.00 H new ATOM 0 HA ALA A 118 2.714 -10.562 -17.830 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.263 -8.823 -16.161 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.086 -8.217 -17.350 1.00 0.00 H new ATOM 0 HB3 ALA A 118 1.543 -8.695 -15.724 1.00 0.00 H new ATOM 1813 N ILE A 119 1.553 -11.112 -14.767 1.00 0.00 N ATOM 1814 CA ILE A 119 1.706 -12.017 -13.595 1.00 0.00 C ATOM 1815 C ILE A 119 1.873 -13.464 -14.067 1.00 0.00 C ATOM 1816 O ILE A 119 2.705 -14.198 -13.573 1.00 0.00 O ATOM 1817 CB ILE A 119 0.452 -11.916 -12.732 1.00 0.00 C ATOM 1818 CG1 ILE A 119 0.080 -10.446 -12.523 1.00 0.00 C ATOM 1819 CG2 ILE A 119 0.717 -12.569 -11.372 1.00 0.00 C ATOM 1820 CD1 ILE A 119 -0.971 -10.336 -11.417 1.00 0.00 C ATOM 0 H ILE A 119 0.907 -10.335 -14.627 1.00 0.00 H new ATOM 0 HA ILE A 119 2.587 -11.725 -13.023 1.00 0.00 H new ATOM 0 HB ILE A 119 -0.370 -12.427 -13.233 1.00 0.00 H new ATOM 0 HG12 ILE A 119 0.966 -9.870 -12.255 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -0.307 -10.023 -13.450 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -0.178 -12.498 -10.754 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.976 -13.618 -11.516 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.542 -12.056 -10.877 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -1.235 -9.289 -11.269 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.860 -10.898 -11.703 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -0.567 -10.743 -10.490 1.00 0.00 H new ATOM 1832 N SER A 120 1.082 -13.877 -15.024 1.00 0.00 N ATOM 1833 CA SER A 120 1.191 -15.275 -15.531 1.00 0.00 C ATOM 1834 C SER A 120 2.656 -15.597 -15.826 1.00 0.00 C ATOM 1835 O SER A 120 3.219 -16.527 -15.283 1.00 0.00 O ATOM 1836 CB SER A 120 0.370 -15.415 -16.814 1.00 0.00 C ATOM 1837 OG SER A 120 0.049 -16.785 -17.017 1.00 0.00 O ATOM 0 H SER A 120 0.367 -13.306 -15.475 1.00 0.00 H new ATOM 0 HA SER A 120 0.812 -15.966 -14.778 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.542 -14.822 -16.743 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.934 -15.031 -17.664 1.00 0.00 H new ATOM 0 HG SER A 120 -0.479 -16.879 -17.837 1.00 0.00 H new ATOM 1843 N HIS A 121 3.277 -14.836 -16.686 1.00 0.00 N ATOM 1844 CA HIS A 121 4.704 -15.095 -17.020 1.00 0.00 C ATOM 1845 C HIS A 121 5.482 -15.411 -15.741 1.00 0.00 C ATOM 1846 O HIS A 121 6.314 -16.296 -15.711 1.00 0.00 O ATOM 1847 CB HIS A 121 5.302 -13.854 -17.688 1.00 0.00 C ATOM 1848 CG HIS A 121 6.742 -14.113 -18.031 1.00 0.00 C ATOM 1849 ND1 HIS A 121 7.208 -15.379 -18.346 1.00 0.00 N ATOM 1850 CD2 HIS A 121 7.829 -13.280 -18.112 1.00 0.00 C ATOM 1851 CE1 HIS A 121 8.525 -15.274 -18.601 1.00 0.00 C ATOM 1852 NE2 HIS A 121 8.955 -14.016 -18.472 1.00 0.00 N ATOM 0 H HIS A 121 2.855 -14.045 -17.172 1.00 0.00 H new ATOM 0 HA HIS A 121 4.769 -15.944 -17.701 1.00 0.00 H new ATOM 0 HB2 HIS A 121 4.741 -13.608 -18.590 1.00 0.00 H new ATOM 0 HB3 HIS A 121 5.225 -12.996 -17.020 1.00 0.00 H new ATOM 0 HD2 HIS A 121 7.814 -12.216 -17.925 1.00 0.00 H new ATOM 0 HE1 HIS A 121 9.157 -16.105 -18.876 1.00 0.00 H new ATOM 0 HE2 HIS A 121 9.904 -13.669 -18.608 1.00 0.00 H new ATOM 1860 N TYR A 122 5.218 -14.697 -14.682 1.00 0.00 N ATOM 1861 CA TYR A 122 5.940 -14.961 -13.407 1.00 0.00 C ATOM 1862 C TYR A 122 5.170 -16.001 -12.590 1.00 0.00 C ATOM 1863 O TYR A 122 4.906 -15.814 -11.419 1.00 0.00 O ATOM 1864 CB TYR A 122 6.050 -13.663 -12.602 1.00 0.00 C ATOM 1865 CG TYR A 122 7.384 -13.618 -11.896 1.00 0.00 C ATOM 1866 CD1 TYR A 122 7.851 -14.746 -11.210 1.00 0.00 C ATOM 1867 CD2 TYR A 122 8.153 -12.449 -11.924 1.00 0.00 C ATOM 1868 CE1 TYR A 122 9.087 -14.705 -10.553 1.00 0.00 C ATOM 1869 CE2 TYR A 122 9.389 -12.407 -11.268 1.00 0.00 C ATOM 1870 CZ TYR A 122 9.857 -13.534 -10.582 1.00 0.00 C ATOM 1871 OH TYR A 122 11.076 -13.491 -9.933 1.00 0.00 O ATOM 0 H TYR A 122 4.533 -13.942 -14.645 1.00 0.00 H new ATOM 0 HA TYR A 122 6.939 -15.337 -13.628 1.00 0.00 H new ATOM 0 HB2 TYR A 122 5.948 -12.803 -13.264 1.00 0.00 H new ATOM 0 HB3 TYR A 122 5.240 -13.604 -11.875 1.00 0.00 H new ATOM 0 HD1 TYR A 122 7.258 -15.648 -11.188 1.00 0.00 H new ATOM 0 HD2 TYR A 122 7.793 -11.579 -12.452 1.00 0.00 H new ATOM 0 HE1 TYR A 122 9.447 -15.575 -10.024 1.00 0.00 H new ATOM 0 HE2 TYR A 122 9.982 -11.505 -11.291 1.00 0.00 H new ATOM 0 HH TYR A 122 11.480 -12.606 -10.053 1.00 0.00 H new ATOM 1881 N GLN A 123 4.806 -17.094 -13.200 1.00 0.00 N ATOM 1882 CA GLN A 123 4.053 -18.146 -12.459 1.00 0.00 C ATOM 1883 C GLN A 123 4.371 -19.518 -13.057 1.00 0.00 C ATOM 1884 O GLN A 123 3.565 -20.426 -13.013 1.00 0.00 O ATOM 1885 CB GLN A 123 2.551 -17.876 -12.572 1.00 0.00 C ATOM 1886 CG GLN A 123 1.918 -17.925 -11.179 1.00 0.00 C ATOM 1887 CD GLN A 123 0.984 -16.728 -10.999 1.00 0.00 C ATOM 1888 OE1 GLN A 123 0.854 -16.202 -9.912 1.00 0.00 O ATOM 1889 NE2 GLN A 123 0.322 -16.272 -12.028 1.00 0.00 N ATOM 0 H GLN A 123 4.997 -17.305 -14.179 1.00 0.00 H new ATOM 0 HA GLN A 123 4.346 -18.130 -11.409 1.00 0.00 H new ATOM 0 HB2 GLN A 123 2.379 -16.901 -13.027 1.00 0.00 H new ATOM 0 HB3 GLN A 123 2.085 -18.617 -13.221 1.00 0.00 H new ATOM 0 HG2 GLN A 123 1.363 -18.855 -11.053 1.00 0.00 H new ATOM 0 HG3 GLN A 123 2.695 -17.911 -10.415 1.00 0.00 H new ATOM 0 HE21 GLN A 123 0.431 -16.714 -12.941 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -0.304 -15.474 -11.919 1.00 0.00 H new ATOM 1898 N GLU A 124 5.539 -19.679 -13.615 1.00 0.00 N ATOM 1899 CA GLU A 124 5.905 -20.993 -14.214 1.00 0.00 C ATOM 1900 C GLU A 124 6.965 -21.670 -13.344 1.00 0.00 C ATOM 1901 O GLU A 124 7.516 -20.999 -12.487 1.00 0.00 O ATOM 1902 CB GLU A 124 6.464 -20.775 -15.622 1.00 0.00 C ATOM 1903 CG GLU A 124 5.322 -20.423 -16.580 1.00 0.00 C ATOM 1904 CD GLU A 124 5.130 -21.557 -17.589 1.00 0.00 C ATOM 1905 OE1 GLU A 124 6.115 -22.184 -17.940 1.00 0.00 O ATOM 1906 OE2 GLU A 124 4.001 -21.777 -17.995 1.00 0.00 O ATOM 1907 OXT GLU A 124 7.209 -22.848 -13.550 1.00 0.00 O ATOM 0 H GLU A 124 6.256 -18.957 -13.682 1.00 0.00 H new ATOM 0 HA GLU A 124 5.020 -21.627 -14.270 1.00 0.00 H new ATOM 0 HB2 GLU A 124 7.203 -19.974 -15.611 1.00 0.00 H new ATOM 0 HB3 GLU A 124 6.975 -21.675 -15.965 1.00 0.00 H new ATOM 0 HG2 GLU A 124 4.401 -20.261 -16.020 1.00 0.00 H new ATOM 0 HG3 GLU A 124 5.545 -19.492 -17.102 1.00 0.00 H new