USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 555 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 Single : A 5 ASN : amide:sc= -0.969 K(o=-0.97,f=-0.0086) USER MOD Single : A 12 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.24) USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= 0.618 (180deg=0.541) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.0581 X(o=-0.058,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0.646 USER MOD Single : A 22 GLN : amide:sc= -1.05 K(o=-1,f=0) USER MOD Single : A 24 THR OG1 : rot 72:sc= 0.59 USER MOD Single : A 25 TYR OH : rot 166:sc= -3.19! USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0687 USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.22) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= 0.194 (180deg=0.0956) USER MOD Single : A 32 LYS NZ :NH3+ 165:sc= -3.76! (180deg=-3.98!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0255 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -4:sc= 0.29 USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0817) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 160:sc= 0.308 (180deg=0.168) USER MOD Single : A 57 ASN : amide:sc= -2.54! K(o=-2.5!,f=-1.4) USER MOD Single : A 61 GLN : amide:sc= -3.3! C(o=-3.3!,f=-3.6!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 5 18.699 -3.756 -0.328 1.00 0.00 N ATOM 2 CA ASN A 5 18.043 -3.646 0.971 1.00 0.00 C ATOM 3 C ASN A 5 16.652 -3.084 0.793 1.00 0.00 C ATOM 4 O ASN A 5 15.652 -3.690 1.164 1.00 0.00 O ATOM 5 CB ASN A 5 18.842 -2.742 1.903 1.00 0.00 C ATOM 6 CG ASN A 5 18.227 -2.661 3.282 1.00 0.00 C ATOM 7 OD1 ASN A 5 18.240 -1.610 3.924 1.00 0.00 O ATOM 8 ND2 ASN A 5 17.706 -3.780 3.758 1.00 0.00 N ATOM 0 HA ASN A 5 17.984 -4.640 1.414 1.00 0.00 H new ATOM 0 HB2 ASN A 5 19.863 -3.116 1.983 1.00 0.00 H new ATOM 0 HB3 ASN A 5 18.902 -1.742 1.474 1.00 0.00 H new ATOM 0 HD21 ASN A 5 17.294 -3.794 4.691 1.00 0.00 H new ATOM 0 HD22 ASN A 5 17.716 -4.629 3.192 1.00 0.00 H new ATOM 15 N GLU A 6 16.637 -1.914 0.204 1.00 0.00 N ATOM 16 CA GLU A 6 15.430 -1.202 -0.172 1.00 0.00 C ATOM 17 C GLU A 6 14.487 -2.075 -1.001 1.00 0.00 C ATOM 18 O GLU A 6 13.284 -2.049 -0.792 1.00 0.00 O ATOM 19 CB GLU A 6 15.864 0.033 -0.951 1.00 0.00 C ATOM 20 CG GLU A 6 17.283 -0.110 -1.490 1.00 0.00 C ATOM 21 CD GLU A 6 17.386 -1.062 -2.663 1.00 0.00 C ATOM 22 OE1 GLU A 6 17.592 -2.271 -2.429 1.00 0.00 O ATOM 23 OE2 GLU A 6 17.272 -0.605 -3.810 1.00 0.00 O ATOM 0 H GLU A 6 17.490 -1.410 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 6 14.869 -0.921 0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 6 15.175 0.201 -1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 6 15.807 0.909 -0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 6 17.649 0.871 -1.794 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.935 -0.459 -0.689 1.00 0.00 H new ATOM 30 N ARG A 7 15.042 -2.848 -1.930 1.00 0.00 N ATOM 31 CA ARG A 7 14.252 -3.772 -2.734 1.00 0.00 C ATOM 32 C ARG A 7 13.532 -4.772 -1.845 1.00 0.00 C ATOM 33 O ARG A 7 12.341 -5.030 -2.017 1.00 0.00 O ATOM 34 CB ARG A 7 15.136 -4.520 -3.730 1.00 0.00 C ATOM 35 CG ARG A 7 15.574 -3.687 -4.922 1.00 0.00 C ATOM 36 CD ARG A 7 14.386 -3.229 -5.757 1.00 0.00 C ATOM 37 NE ARG A 7 14.794 -2.814 -7.099 1.00 0.00 N ATOM 38 CZ ARG A 7 14.036 -2.106 -7.937 1.00 0.00 C ATOM 39 NH1 ARG A 7 12.854 -1.636 -7.557 1.00 0.00 N ATOM 40 NH2 ARG A 7 14.475 -1.837 -9.160 1.00 0.00 N ATOM 0 H ARG A 7 16.039 -2.852 -2.144 1.00 0.00 H new ATOM 0 HA ARG A 7 13.516 -3.187 -3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 7 16.022 -4.884 -3.210 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.596 -5.395 -4.091 1.00 0.00 H new ATOM 0 HG2 ARG A 7 16.130 -2.817 -4.573 1.00 0.00 H new ATOM 0 HG3 ARG A 7 16.252 -4.271 -5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.660 -4.039 -5.832 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.887 -2.399 -5.256 1.00 0.00 H new ATOM 0 HE ARG A 7 15.725 -3.086 -7.416 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.514 -1.815 -6.612 1.00 0.00 H new ATOM 0 HH12 ARG A 7 12.286 -1.096 -8.210 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.391 -2.172 -9.458 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.896 -1.296 -9.802 1.00 0.00 H new ATOM 54 N ARG A 8 14.262 -5.336 -0.893 1.00 0.00 N ATOM 55 CA ARG A 8 13.689 -6.291 0.040 1.00 0.00 C ATOM 56 C ARG A 8 12.667 -5.602 0.937 1.00 0.00 C ATOM 57 O ARG A 8 11.604 -6.156 1.225 1.00 0.00 O ATOM 58 CB ARG A 8 14.781 -6.944 0.883 1.00 0.00 C ATOM 59 CG ARG A 8 14.347 -8.254 1.511 1.00 0.00 C ATOM 60 CD ARG A 8 15.511 -8.968 2.168 1.00 0.00 C ATOM 61 NE ARG A 8 15.125 -10.280 2.674 1.00 0.00 N ATOM 62 CZ ARG A 8 15.837 -10.971 3.555 1.00 0.00 C ATOM 63 NH1 ARG A 8 16.957 -10.456 4.058 1.00 0.00 N ATOM 64 NH2 ARG A 8 15.423 -12.172 3.943 1.00 0.00 N ATOM 0 H ARG A 8 15.254 -5.147 -0.748 1.00 0.00 H new ATOM 0 HA ARG A 8 13.186 -7.071 -0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 8 15.657 -7.120 0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 8 15.085 -6.254 1.670 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.571 -8.064 2.252 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.909 -8.897 0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 8 16.322 -9.080 1.448 1.00 0.00 H new ATOM 0 HD3 ARG A 8 15.894 -8.360 2.988 1.00 0.00 H new ATOM 0 HE ARG A 8 14.257 -10.691 2.331 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.268 -9.530 3.766 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.504 -10.988 4.735 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.560 -12.561 3.564 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.968 -12.705 4.620 1.00 0.00 H new ATOM 78 N ILE A 9 12.986 -4.379 1.360 1.00 0.00 N ATOM 79 CA ILE A 9 12.050 -3.561 2.112 1.00 0.00 C ATOM 80 C ILE A 9 10.762 -3.380 1.321 1.00 0.00 C ATOM 81 O ILE A 9 9.661 -3.594 1.827 1.00 0.00 O ATOM 82 CB ILE A 9 12.638 -2.160 2.378 1.00 0.00 C ATOM 83 CG1 ILE A 9 13.800 -2.211 3.359 1.00 0.00 C ATOM 84 CG2 ILE A 9 11.561 -1.199 2.877 1.00 0.00 C ATOM 85 CD1 ILE A 9 14.439 -0.856 3.552 1.00 0.00 C ATOM 0 H ILE A 9 13.890 -3.937 1.191 1.00 0.00 H new ATOM 0 HA ILE A 9 11.854 -4.068 3.057 1.00 0.00 H new ATOM 0 HB ILE A 9 13.022 -1.788 1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.447 -2.585 4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 9 14.548 -2.916 2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.003 -0.219 3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.776 -1.111 2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 9 11.135 -1.580 3.805 1.00 0.00 H new ATOM 0 HD11 ILE A 9 15.263 -0.940 4.260 1.00 0.00 H new ATOM 0 HD12 ILE A 9 14.817 -0.493 2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.698 -0.156 3.939 1.00 0.00 H new ATOM 97 N LEU A 10 10.932 -3.024 0.058 1.00 0.00 N ATOM 98 CA LEU A 10 9.869 -2.565 -0.780 1.00 0.00 C ATOM 99 C LEU A 10 8.926 -3.702 -1.152 1.00 0.00 C ATOM 100 O LEU A 10 7.734 -3.483 -1.316 1.00 0.00 O ATOM 101 CB LEU A 10 10.521 -1.949 -2.007 1.00 0.00 C ATOM 102 CG LEU A 10 9.837 -0.714 -2.583 1.00 0.00 C ATOM 103 CD1 LEU A 10 8.416 -1.031 -2.969 1.00 0.00 C ATOM 104 CD2 LEU A 10 9.888 0.431 -1.582 1.00 0.00 C ATOM 0 H LEU A 10 11.838 -3.052 -0.410 1.00 0.00 H new ATOM 0 HA LEU A 10 9.254 -1.829 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.548 -1.685 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.570 -2.709 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 10 10.369 -0.405 -3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.942 -0.139 -3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.411 -1.821 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.865 -1.363 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.396 1.307 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.377 0.136 -0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 10 10.927 0.672 -1.357 1.00 0.00 H new ATOM 116 N GLU A 11 9.443 -4.918 -1.273 1.00 0.00 N ATOM 117 CA GLU A 11 8.579 -6.052 -1.569 1.00 0.00 C ATOM 118 C GLU A 11 7.799 -6.455 -0.324 1.00 0.00 C ATOM 119 O GLU A 11 6.627 -6.830 -0.408 1.00 0.00 O ATOM 120 CB GLU A 11 9.370 -7.247 -2.111 1.00 0.00 C ATOM 121 CG GLU A 11 10.399 -7.808 -1.139 1.00 0.00 C ATOM 122 CD GLU A 11 10.932 -9.159 -1.563 1.00 0.00 C ATOM 123 OE1 GLU A 11 11.791 -9.204 -2.467 1.00 0.00 O ATOM 124 OE2 GLU A 11 10.500 -10.181 -0.989 1.00 0.00 O ATOM 0 H GLU A 11 10.433 -5.142 -1.173 1.00 0.00 H new ATOM 0 HA GLU A 11 7.882 -5.742 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.671 -8.039 -2.380 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.878 -6.946 -3.027 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.229 -7.107 -1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.948 -7.894 -0.150 1.00 0.00 H new ATOM 131 N GLN A 12 8.449 -6.368 0.835 1.00 0.00 N ATOM 132 CA GLN A 12 7.769 -6.620 2.095 1.00 0.00 C ATOM 133 C GLN A 12 6.680 -5.580 2.299 1.00 0.00 C ATOM 134 O GLN A 12 5.557 -5.904 2.690 1.00 0.00 O ATOM 135 CB GLN A 12 8.749 -6.592 3.269 1.00 0.00 C ATOM 136 CG GLN A 12 9.789 -7.700 3.229 1.00 0.00 C ATOM 137 CD GLN A 12 9.174 -9.082 3.132 1.00 0.00 C ATOM 138 OE1 GLN A 12 8.859 -9.709 4.144 1.00 0.00 O ATOM 139 NE2 GLN A 12 9.022 -9.579 1.913 1.00 0.00 N ATOM 0 H GLN A 12 9.436 -6.127 0.924 1.00 0.00 H new ATOM 0 HA GLN A 12 7.324 -7.614 2.055 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.259 -5.629 3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.188 -6.667 4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.450 -7.541 2.377 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.406 -7.645 4.126 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.295 -9.027 1.100 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.632 -10.513 1.788 1.00 0.00 H new ATOM 148 N LYS A 13 7.025 -4.332 2.006 1.00 0.00 N ATOM 149 CA LYS A 13 6.076 -3.234 2.080 1.00 0.00 C ATOM 150 C LYS A 13 4.977 -3.412 1.044 1.00 0.00 C ATOM 151 O LYS A 13 3.803 -3.258 1.354 1.00 0.00 O ATOM 152 CB LYS A 13 6.792 -1.886 1.902 1.00 0.00 C ATOM 153 CG LYS A 13 7.588 -1.467 3.131 1.00 0.00 C ATOM 154 CD LYS A 13 6.706 -1.453 4.365 1.00 0.00 C ATOM 155 CE LYS A 13 7.431 -0.931 5.594 1.00 0.00 C ATOM 156 NZ LYS A 13 6.535 -0.935 6.780 1.00 0.00 N ATOM 0 H LYS A 13 7.962 -4.057 1.713 1.00 0.00 H new ATOM 0 HA LYS A 13 5.614 -3.239 3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.463 -1.948 1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.054 -1.117 1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.421 -2.154 3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.016 -0.477 2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.830 -0.834 4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.346 -2.463 4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.307 -1.548 5.793 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.789 0.081 5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.047 -0.558 7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.703 -0.341 6.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.227 -1.908 6.979 1.00 0.00 H new ATOM 170 N LYS A 14 5.364 -3.763 -0.177 1.00 0.00 N ATOM 171 CA LYS A 14 4.405 -4.026 -1.243 1.00 0.00 C ATOM 172 C LYS A 14 3.348 -5.048 -0.795 1.00 0.00 C ATOM 173 O LYS A 14 2.142 -4.799 -0.903 1.00 0.00 O ATOM 174 CB LYS A 14 5.145 -4.528 -2.495 1.00 0.00 C ATOM 175 CG LYS A 14 4.423 -4.191 -3.789 1.00 0.00 C ATOM 176 CD LYS A 14 5.329 -4.257 -5.018 1.00 0.00 C ATOM 177 CE LYS A 14 5.961 -2.907 -5.354 1.00 0.00 C ATOM 178 NZ LYS A 14 6.607 -2.914 -6.697 1.00 0.00 N ATOM 0 H LYS A 14 6.340 -3.872 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 14 3.888 -3.097 -1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.144 -4.092 -2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.271 -5.609 -2.427 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.589 -4.880 -3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.999 -3.190 -3.711 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.117 -4.990 -4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.750 -4.606 -5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.197 -2.131 -5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.702 -2.655 -4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.024 -1.980 -6.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.354 -3.637 -6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.895 -3.129 -7.424 1.00 0.00 H new ATOM 192 N HIS A 15 3.798 -6.179 -0.253 1.00 0.00 N ATOM 193 CA HIS A 15 2.876 -7.228 0.180 1.00 0.00 C ATOM 194 C HIS A 15 2.071 -6.798 1.404 1.00 0.00 C ATOM 195 O HIS A 15 0.855 -6.949 1.421 1.00 0.00 O ATOM 196 CB HIS A 15 3.608 -8.546 0.474 1.00 0.00 C ATOM 197 CG HIS A 15 2.683 -9.674 0.858 1.00 0.00 C ATOM 198 ND1 HIS A 15 3.067 -10.727 1.658 1.00 0.00 N ATOM 199 CD2 HIS A 15 1.383 -9.905 0.544 1.00 0.00 C ATOM 200 CE1 HIS A 15 2.047 -11.548 1.822 1.00 0.00 C ATOM 201 NE2 HIS A 15 1.014 -11.075 1.156 1.00 0.00 N ATOM 0 H HIS A 15 4.785 -6.391 -0.104 1.00 0.00 H new ATOM 0 HA HIS A 15 2.187 -7.396 -0.648 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.180 -8.839 -0.406 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.324 -8.383 1.280 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.754 -9.281 -0.075 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.058 -12.457 2.405 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.092 -11.508 1.104 1.00 0.00 H new ATOM 210 N TYR A 16 2.729 -6.257 2.424 1.00 0.00 N ATOM 211 CA TYR A 16 2.020 -5.922 3.652 1.00 0.00 C ATOM 212 C TYR A 16 1.135 -4.690 3.468 1.00 0.00 C ATOM 213 O TYR A 16 0.180 -4.508 4.211 1.00 0.00 O ATOM 214 CB TYR A 16 2.963 -5.714 4.842 1.00 0.00 C ATOM 215 CG TYR A 16 2.192 -5.552 6.133 1.00 0.00 C ATOM 216 CD1 TYR A 16 1.376 -6.575 6.593 1.00 0.00 C ATOM 217 CD2 TYR A 16 2.239 -4.372 6.861 1.00 0.00 C ATOM 218 CE1 TYR A 16 0.627 -6.429 7.745 1.00 0.00 C ATOM 219 CE2 TYR A 16 1.500 -4.218 8.019 1.00 0.00 C ATOM 220 CZ TYR A 16 0.696 -5.247 8.456 1.00 0.00 C ATOM 221 OH TYR A 16 -0.057 -5.082 9.599 1.00 0.00 O ATOM 0 H TYR A 16 3.727 -6.046 2.427 1.00 0.00 H new ATOM 0 HA TYR A 16 1.389 -6.782 3.877 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.640 -6.564 4.925 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.579 -4.831 4.671 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.325 -7.502 6.041 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.863 -3.560 6.517 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.008 -7.233 8.087 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.553 -3.295 8.578 1.00 0.00 H new ATOM 0 HH TYR A 16 0.111 -4.193 9.976 1.00 0.00 H new ATOM 231 N PHE A 17 1.431 -3.855 2.477 1.00 0.00 N ATOM 232 CA PHE A 17 0.580 -2.713 2.184 1.00 0.00 C ATOM 233 C PHE A 17 -0.653 -3.186 1.432 1.00 0.00 C ATOM 234 O PHE A 17 -1.712 -2.589 1.523 1.00 0.00 O ATOM 235 CB PHE A 17 1.307 -1.664 1.359 1.00 0.00 C ATOM 236 CG PHE A 17 0.525 -0.399 1.210 1.00 0.00 C ATOM 237 CD1 PHE A 17 0.224 0.362 2.324 1.00 0.00 C ATOM 238 CD2 PHE A 17 0.079 0.020 -0.031 1.00 0.00 C ATOM 239 CE1 PHE A 17 -0.505 1.528 2.204 1.00 0.00 C ATOM 240 CE2 PHE A 17 -0.649 1.180 -0.158 1.00 0.00 C ATOM 241 CZ PHE A 17 -0.941 1.939 0.960 1.00 0.00 C ATOM 0 H PHE A 17 2.246 -3.948 1.870 1.00 0.00 H new ATOM 0 HA PHE A 17 0.295 -2.253 3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.265 -1.440 1.828 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.523 -2.071 0.371 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.563 0.041 3.298 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.305 -0.569 -0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.734 2.117 3.080 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.993 1.498 -1.131 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.509 2.852 0.861 1.00 0.00 H new ATOM 251 N TRP A 18 -0.492 -4.272 0.689 1.00 0.00 N ATOM 252 CA TRP A 18 -1.606 -4.921 -0.009 1.00 0.00 C ATOM 253 C TRP A 18 -2.405 -5.702 1.019 1.00 0.00 C ATOM 254 O TRP A 18 -3.620 -5.802 0.946 1.00 0.00 O ATOM 255 CB TRP A 18 -1.040 -5.853 -1.085 1.00 0.00 C ATOM 256 CG TRP A 18 -2.004 -6.475 -2.077 1.00 0.00 C ATOM 257 CD1 TRP A 18 -1.654 -7.457 -2.956 1.00 0.00 C ATOM 258 CD2 TRP A 18 -3.409 -6.193 -2.342 1.00 0.00 C ATOM 259 NE1 TRP A 18 -2.714 -7.803 -3.742 1.00 0.00 N ATOM 260 CE2 TRP A 18 -3.798 -7.059 -3.388 1.00 0.00 C ATOM 261 CE3 TRP A 18 -4.382 -5.316 -1.818 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -5.082 -7.075 -3.913 1.00 0.00 C ATOM 263 CZ3 TRP A 18 -5.668 -5.340 -2.364 1.00 0.00 C ATOM 264 CH2 TRP A 18 -5.997 -6.215 -3.392 1.00 0.00 C ATOM 0 H TRP A 18 0.408 -4.731 0.550 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.254 -4.190 -0.493 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.295 -5.294 -1.651 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.514 -6.663 -0.580 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.671 -7.900 -3.021 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.697 -8.508 -4.479 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.138 -4.640 -1.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.347 -7.751 -4.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.420 -4.666 -1.980 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.003 -6.212 -3.786 1.00 0.00 H new ATOM 275 N LEU A 19 -1.692 -6.210 2.011 1.00 0.00 N ATOM 276 CA LEU A 19 -2.299 -6.928 3.118 1.00 0.00 C ATOM 277 C LEU A 19 -3.010 -5.904 3.992 1.00 0.00 C ATOM 278 O LEU A 19 -4.052 -6.166 4.582 1.00 0.00 O ATOM 279 CB LEU A 19 -1.203 -7.673 3.902 1.00 0.00 C ATOM 280 CG LEU A 19 -1.644 -8.923 4.668 1.00 0.00 C ATOM 281 CD1 LEU A 19 -0.436 -9.790 4.976 1.00 0.00 C ATOM 282 CD2 LEU A 19 -2.358 -8.546 5.954 1.00 0.00 C ATOM 0 H LEU A 19 -0.676 -6.136 2.071 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.018 -7.669 2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.418 -7.960 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.758 -6.976 4.612 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.340 -9.484 4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.755 -10.678 5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.044 -10.089 4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.271 -9.226 5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.662 -9.451 6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.686 -7.966 6.587 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.240 -7.950 5.719 1.00 0.00 H new ATOM 294 N LEU A 20 -2.426 -4.719 4.025 1.00 0.00 N ATOM 295 CA LEU A 20 -2.987 -3.575 4.728 1.00 0.00 C ATOM 296 C LEU A 20 -4.219 -3.057 3.977 1.00 0.00 C ATOM 297 O LEU A 20 -5.301 -2.908 4.553 1.00 0.00 O ATOM 298 CB LEU A 20 -1.906 -2.478 4.812 1.00 0.00 C ATOM 299 CG LEU A 20 -2.045 -1.435 5.926 1.00 0.00 C ATOM 300 CD1 LEU A 20 -3.391 -0.752 5.879 1.00 0.00 C ATOM 301 CD2 LEU A 20 -1.797 -2.072 7.291 1.00 0.00 C ATOM 0 H LEU A 20 -1.540 -4.520 3.560 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.296 -3.863 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.938 -2.967 4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.886 -1.951 3.858 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.287 -0.668 5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.455 -0.019 6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.511 -0.250 4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.180 -1.494 6.001 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.900 -1.316 8.069 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.523 -2.867 7.459 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.790 -2.488 7.321 1.00 0.00 H new ATOM 313 N LEU A 21 -4.043 -2.825 2.679 1.00 0.00 N ATOM 314 CA LEU A 21 -5.058 -2.249 1.831 1.00 0.00 C ATOM 315 C LEU A 21 -6.207 -3.253 1.653 1.00 0.00 C ATOM 316 O LEU A 21 -7.358 -2.863 1.553 1.00 0.00 O ATOM 317 CB LEU A 21 -4.372 -1.879 0.497 1.00 0.00 C ATOM 318 CG LEU A 21 -5.053 -0.862 -0.445 1.00 0.00 C ATOM 319 CD1 LEU A 21 -6.566 -0.928 -0.406 1.00 0.00 C ATOM 320 CD2 LEU A 21 -4.555 0.528 -0.125 1.00 0.00 C ATOM 0 H LEU A 21 -3.175 -3.039 2.189 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.499 -1.351 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.380 -1.493 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.229 -2.802 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.778 -1.125 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.980 -0.188 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.895 -1.923 -0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.913 -0.721 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.034 1.248 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.796 0.772 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.475 0.569 -0.265 1.00 0.00 H new ATOM 332 N GLN A 22 -5.896 -4.548 1.652 1.00 0.00 N ATOM 333 CA GLN A 22 -6.929 -5.575 1.513 1.00 0.00 C ATOM 334 C GLN A 22 -7.638 -5.817 2.844 1.00 0.00 C ATOM 335 O GLN A 22 -8.841 -6.067 2.880 1.00 0.00 O ATOM 336 CB GLN A 22 -6.334 -6.886 0.997 1.00 0.00 C ATOM 337 CG GLN A 22 -7.378 -7.912 0.591 1.00 0.00 C ATOM 338 CD GLN A 22 -6.769 -9.206 0.087 1.00 0.00 C ATOM 339 OE1 GLN A 22 -7.371 -10.272 0.209 1.00 0.00 O ATOM 340 NE2 GLN A 22 -5.570 -9.126 -0.476 1.00 0.00 N ATOM 0 H GLN A 22 -4.947 -4.910 1.745 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.657 -5.213 0.787 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.695 -6.672 0.140 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.697 -7.315 1.771 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.020 -8.127 1.445 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.013 -7.488 -0.187 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.104 -8.222 -0.558 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.114 -9.968 -0.827 1.00 0.00 H new ATOM 349 N ARG A 23 -6.881 -5.755 3.936 1.00 0.00 N ATOM 350 CA ARG A 23 -7.455 -5.853 5.276 1.00 0.00 C ATOM 351 C ARG A 23 -8.507 -4.776 5.460 1.00 0.00 C ATOM 352 O ARG A 23 -9.603 -5.036 5.956 1.00 0.00 O ATOM 353 CB ARG A 23 -6.356 -5.702 6.329 1.00 0.00 C ATOM 354 CG ARG A 23 -6.858 -5.601 7.759 1.00 0.00 C ATOM 355 CD ARG A 23 -6.283 -4.384 8.453 1.00 0.00 C ATOM 356 NE ARG A 23 -4.854 -4.278 8.208 1.00 0.00 N ATOM 357 CZ ARG A 23 -3.929 -4.488 9.118 1.00 0.00 C ATOM 358 NH1 ARG A 23 -4.254 -4.680 10.394 1.00 0.00 N ATOM 359 NH2 ARG A 23 -2.670 -4.490 8.744 1.00 0.00 N ATOM 0 H ARG A 23 -5.868 -5.637 3.920 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.921 -6.831 5.396 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.681 -6.554 6.255 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.771 -4.811 6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.947 -5.545 7.763 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.583 -6.501 8.309 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.785 -3.485 8.096 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.469 -4.449 9.525 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.549 -4.024 7.268 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.233 -4.666 10.679 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.524 -4.842 11.088 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.428 -4.331 7.766 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.934 -4.651 9.432 1.00 0.00 H new ATOM 373 N THR A 24 -8.163 -3.573 5.047 1.00 0.00 N ATOM 374 CA THR A 24 -9.091 -2.470 5.093 1.00 0.00 C ATOM 375 C THR A 24 -10.127 -2.610 3.981 1.00 0.00 C ATOM 376 O THR A 24 -11.304 -2.842 4.243 1.00 0.00 O ATOM 377 CB THR A 24 -8.357 -1.126 4.957 1.00 0.00 C ATOM 378 OG1 THR A 24 -7.232 -1.096 5.847 1.00 0.00 O ATOM 379 CG2 THR A 24 -9.293 0.026 5.279 1.00 0.00 C ATOM 0 H THR A 24 -7.243 -3.338 4.675 1.00 0.00 H new ATOM 0 HA THR A 24 -9.594 -2.490 6.060 1.00 0.00 H new ATOM 0 HB THR A 24 -8.011 -1.020 3.929 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.531 -1.691 5.508 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.757 0.970 5.178 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.137 0.012 4.590 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.658 -0.076 6.301 1.00 0.00 H new ATOM 387 N TYR A 25 -9.673 -2.503 2.740 1.00 0.00 N ATOM 388 CA TYR A 25 -10.551 -2.601 1.588 1.00 0.00 C ATOM 389 C TYR A 25 -10.380 -3.965 0.931 1.00 0.00 C ATOM 390 O TYR A 25 -9.510 -4.152 0.076 1.00 0.00 O ATOM 391 CB TYR A 25 -10.241 -1.503 0.567 1.00 0.00 C ATOM 392 CG TYR A 25 -10.114 -0.110 1.151 1.00 0.00 C ATOM 393 CD1 TYR A 25 -10.859 0.290 2.252 1.00 0.00 C ATOM 394 CD2 TYR A 25 -9.241 0.811 0.588 1.00 0.00 C ATOM 395 CE1 TYR A 25 -10.736 1.562 2.772 1.00 0.00 C ATOM 396 CE2 TYR A 25 -9.116 2.085 1.104 1.00 0.00 C ATOM 397 CZ TYR A 25 -9.864 2.452 2.192 1.00 0.00 C ATOM 398 OH TYR A 25 -9.735 3.718 2.700 1.00 0.00 O ATOM 0 H TYR A 25 -8.692 -2.347 2.507 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.579 -2.477 1.929 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.312 -1.754 0.056 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -11.028 -1.495 -0.187 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.546 -0.406 2.709 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.649 0.525 -0.269 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.322 1.857 3.630 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.432 2.789 0.653 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.936 4.142 2.323 1.00 0.00 H new ATOM 408 N THR A 26 -11.199 -4.913 1.344 1.00 0.00 N ATOM 409 CA THR A 26 -11.063 -6.294 0.911 1.00 0.00 C ATOM 410 C THR A 26 -11.691 -6.532 -0.459 1.00 0.00 C ATOM 411 O THR A 26 -11.828 -5.618 -1.274 1.00 0.00 O ATOM 412 CB THR A 26 -11.747 -7.223 1.922 1.00 0.00 C ATOM 413 OG1 THR A 26 -12.035 -6.495 3.122 1.00 0.00 O ATOM 414 CG2 THR A 26 -10.874 -8.427 2.248 1.00 0.00 C ATOM 0 H THR A 26 -11.975 -4.751 1.986 1.00 0.00 H new ATOM 0 HA THR A 26 -9.996 -6.505 0.845 1.00 0.00 H new ATOM 0 HB THR A 26 -12.673 -7.588 1.478 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.473 -7.088 3.767 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.388 -9.065 2.967 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.678 -8.992 1.337 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.930 -8.087 2.674 1.00 0.00 H new ATOM 422 N LYS A 27 -12.028 -7.789 -0.712 1.00 0.00 N ATOM 423 CA LYS A 27 -12.743 -8.175 -1.916 1.00 0.00 C ATOM 424 C LYS A 27 -14.219 -7.829 -1.781 1.00 0.00 C ATOM 425 O LYS A 27 -14.911 -7.599 -2.770 1.00 0.00 O ATOM 426 CB LYS A 27 -12.604 -9.680 -2.140 1.00 0.00 C ATOM 427 CG LYS A 27 -11.474 -10.314 -1.342 1.00 0.00 C ATOM 428 CD LYS A 27 -11.295 -11.781 -1.693 1.00 0.00 C ATOM 429 CE LYS A 27 -10.104 -12.394 -0.972 1.00 0.00 C ATOM 430 NZ LYS A 27 -9.860 -13.791 -1.415 1.00 0.00 N ATOM 0 H LYS A 27 -11.813 -8.567 -0.088 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.319 -7.635 -2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.542 -10.166 -1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.437 -9.867 -3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.545 -9.777 -1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.682 -10.217 -0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.200 -12.330 -1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.160 -11.883 -2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.215 -11.791 -1.158 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.280 -12.378 0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.031 -14.174 -0.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.694 -14.374 -1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.684 -13.804 -2.440 1.00 0.00 H new ATOM 444 N THR A 28 -14.692 -7.806 -0.541 1.00 0.00 N ATOM 445 CA THR A 28 -16.100 -7.590 -0.266 1.00 0.00 C ATOM 446 C THR A 28 -16.301 -6.693 0.959 1.00 0.00 C ATOM 447 O THR A 28 -17.282 -5.954 1.022 1.00 0.00 O ATOM 448 CB THR A 28 -16.830 -8.939 -0.070 1.00 0.00 C ATOM 449 OG1 THR A 28 -18.179 -8.729 0.364 1.00 0.00 O ATOM 450 CG2 THR A 28 -16.096 -9.812 0.936 1.00 0.00 C ATOM 0 H THR A 28 -14.116 -7.935 0.291 1.00 0.00 H new ATOM 0 HA THR A 28 -16.530 -7.080 -1.128 1.00 0.00 H new ATOM 0 HB THR A 28 -16.845 -9.450 -1.033 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.624 -9.595 0.481 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.629 -10.755 1.057 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.086 -10.009 0.578 1.00 0.00 H new ATOM 0 HG23 THR A 28 -16.046 -9.298 1.896 1.00 0.00 H new ATOM 458 N GLY A 29 -15.380 -6.777 1.929 1.00 0.00 N ATOM 459 CA GLY A 29 -15.433 -5.946 3.110 1.00 0.00 C ATOM 460 C GLY A 29 -15.651 -4.479 2.791 1.00 0.00 C ATOM 461 O GLY A 29 -16.781 -3.984 2.823 1.00 0.00 O ATOM 0 H GLY A 29 -14.589 -7.421 1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.237 -6.295 3.758 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.503 -6.057 3.668 1.00 0.00 H new ATOM 465 N LYS A 30 -14.566 -3.776 2.522 1.00 0.00 N ATOM 466 CA LYS A 30 -14.648 -2.446 1.944 1.00 0.00 C ATOM 467 C LYS A 30 -14.315 -2.528 0.459 1.00 0.00 C ATOM 468 O LYS A 30 -13.416 -3.271 0.063 1.00 0.00 O ATOM 469 CB LYS A 30 -13.678 -1.475 2.627 1.00 0.00 C ATOM 470 CG LYS A 30 -13.966 -1.200 4.095 1.00 0.00 C ATOM 471 CD LYS A 30 -15.375 -0.682 4.309 1.00 0.00 C ATOM 472 CE LYS A 30 -15.507 0.022 5.649 1.00 0.00 C ATOM 473 NZ LYS A 30 -14.820 1.346 5.658 1.00 0.00 N ATOM 0 H LYS A 30 -13.616 -4.104 2.695 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.661 -2.071 2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.667 -1.874 2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.695 -0.529 2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.825 -2.115 4.670 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.250 -0.471 4.475 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.637 0.007 3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.081 -1.511 4.260 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.563 0.160 5.883 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.087 -0.609 6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.061 1.856 6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.791 1.203 5.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.128 1.903 4.835 1.00 0.00 H new ATOM 487 N PRO A 31 -15.031 -1.776 -0.382 1.00 0.00 N ATOM 488 CA PRO A 31 -14.743 -1.710 -1.813 1.00 0.00 C ATOM 489 C PRO A 31 -13.360 -1.135 -2.051 1.00 0.00 C ATOM 490 O PRO A 31 -12.908 -0.296 -1.280 1.00 0.00 O ATOM 491 CB PRO A 31 -15.809 -0.751 -2.361 1.00 0.00 C ATOM 492 CG PRO A 31 -16.864 -0.700 -1.312 1.00 0.00 C ATOM 493 CD PRO A 31 -16.156 -0.912 -0.007 1.00 0.00 C ATOM 0 HA PRO A 31 -14.764 -2.690 -2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.391 0.238 -2.547 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.212 -1.110 -3.308 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.381 0.259 -1.324 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.617 -1.470 -1.478 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -15.816 0.029 0.426 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.802 -1.387 0.731 1.00 0.00 H new ATOM 501 N LYS A 32 -12.672 -1.609 -3.080 1.00 0.00 N ATOM 502 CA LYS A 32 -11.417 -1.002 -3.487 1.00 0.00 C ATOM 503 C LYS A 32 -11.696 0.302 -4.237 1.00 0.00 C ATOM 504 O LYS A 32 -12.207 0.276 -5.356 1.00 0.00 O ATOM 505 CB LYS A 32 -10.596 -1.987 -4.336 1.00 0.00 C ATOM 506 CG LYS A 32 -9.266 -1.435 -4.843 1.00 0.00 C ATOM 507 CD LYS A 32 -8.126 -2.400 -4.585 1.00 0.00 C ATOM 508 CE LYS A 32 -7.862 -2.569 -3.094 1.00 0.00 C ATOM 509 NZ LYS A 32 -8.872 -3.430 -2.410 1.00 0.00 N ATOM 0 H LYS A 32 -12.961 -2.408 -3.644 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.823 -0.763 -2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.401 -2.881 -3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.196 -2.296 -5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.339 -1.234 -5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.056 -0.484 -4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.362 -3.369 -5.026 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.223 -2.037 -5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.871 -3.002 -2.954 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.851 -1.587 -2.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.511 -3.714 -1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.758 -2.898 -2.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.052 -4.278 -2.985 1.00 0.00 H new ATOM 523 N PRO A 33 -11.411 1.446 -3.567 1.00 0.00 N ATOM 524 CA PRO A 33 -11.580 2.812 -4.061 1.00 0.00 C ATOM 525 C PRO A 33 -11.619 3.010 -5.573 1.00 0.00 C ATOM 526 O PRO A 33 -10.880 2.384 -6.336 1.00 0.00 O ATOM 527 CB PRO A 33 -10.326 3.429 -3.486 1.00 0.00 C ATOM 528 CG PRO A 33 -10.248 2.866 -2.122 1.00 0.00 C ATOM 529 CD PRO A 33 -10.884 1.517 -2.190 1.00 0.00 C ATOM 0 HA PRO A 33 -12.546 3.228 -3.774 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.447 3.171 -4.076 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.388 4.517 -3.466 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.212 2.792 -1.790 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.766 3.505 -1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.162 0.724 -1.997 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.679 1.412 -1.451 1.00 0.00 H new ATOM 537 N SER A 34 -12.478 3.935 -5.975 1.00 0.00 N ATOM 538 CA SER A 34 -12.586 4.349 -7.355 1.00 0.00 C ATOM 539 C SER A 34 -11.420 5.281 -7.673 1.00 0.00 C ATOM 540 O SER A 34 -10.883 5.299 -8.781 1.00 0.00 O ATOM 541 CB SER A 34 -13.918 5.070 -7.543 1.00 0.00 C ATOM 542 OG SER A 34 -14.915 4.494 -6.709 1.00 0.00 O ATOM 0 H SER A 34 -13.120 4.418 -5.346 1.00 0.00 H new ATOM 0 HA SER A 34 -12.549 3.491 -8.027 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.803 6.128 -7.306 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.228 5.009 -8.586 1.00 0.00 H new ATOM 0 HG SER A 34 -15.763 4.967 -6.839 1.00 0.00 H new ATOM 548 N THR A 35 -11.039 6.043 -6.657 1.00 0.00 N ATOM 549 CA THR A 35 -9.897 6.937 -6.732 1.00 0.00 C ATOM 550 C THR A 35 -9.057 6.783 -5.467 1.00 0.00 C ATOM 551 O THR A 35 -9.595 6.575 -4.380 1.00 0.00 O ATOM 552 CB THR A 35 -10.339 8.405 -6.886 1.00 0.00 C ATOM 553 OG1 THR A 35 -11.420 8.500 -7.826 1.00 0.00 O ATOM 554 CG2 THR A 35 -9.172 9.256 -7.360 1.00 0.00 C ATOM 0 H THR A 35 -11.516 6.057 -5.756 1.00 0.00 H new ATOM 0 HA THR A 35 -9.309 6.671 -7.610 1.00 0.00 H new ATOM 0 HB THR A 35 -10.677 8.771 -5.916 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.694 9.437 -7.915 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.496 10.291 -7.465 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.363 9.201 -6.632 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.820 8.886 -8.323 1.00 0.00 H new ATOM 562 N TRP A 36 -7.743 6.883 -5.612 1.00 0.00 N ATOM 563 CA TRP A 36 -6.828 6.669 -4.495 1.00 0.00 C ATOM 564 C TRP A 36 -6.927 7.785 -3.439 1.00 0.00 C ATOM 565 O TRP A 36 -6.533 7.598 -2.286 1.00 0.00 O ATOM 566 CB TRP A 36 -5.400 6.478 -5.027 1.00 0.00 C ATOM 567 CG TRP A 36 -4.312 6.865 -4.079 1.00 0.00 C ATOM 568 CD1 TRP A 36 -3.487 7.946 -4.185 1.00 0.00 C ATOM 569 CD2 TRP A 36 -3.927 6.175 -2.884 1.00 0.00 C ATOM 570 NE1 TRP A 36 -2.607 7.971 -3.134 1.00 0.00 N ATOM 571 CE2 TRP A 36 -2.862 6.896 -2.316 1.00 0.00 C ATOM 572 CE3 TRP A 36 -4.385 5.019 -2.236 1.00 0.00 C ATOM 573 CZ2 TRP A 36 -2.245 6.498 -1.133 1.00 0.00 C ATOM 574 CZ3 TRP A 36 -3.769 4.627 -1.065 1.00 0.00 C ATOM 575 CH2 TRP A 36 -2.711 5.364 -0.523 1.00 0.00 C ATOM 0 H TRP A 36 -7.284 7.111 -6.494 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.120 5.756 -3.975 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.268 5.431 -5.299 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -5.289 7.061 -5.941 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.522 8.676 -4.981 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.882 8.672 -2.984 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.204 4.446 -2.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.427 7.064 -0.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.110 3.736 -0.558 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.252 5.032 0.396 1.00 0.00 H new ATOM 586 N ASP A 37 -7.497 8.923 -3.819 1.00 0.00 N ATOM 587 CA ASP A 37 -7.666 10.054 -2.896 1.00 0.00 C ATOM 588 C ASP A 37 -8.507 9.667 -1.674 1.00 0.00 C ATOM 589 O ASP A 37 -8.080 9.841 -0.529 1.00 0.00 O ATOM 590 CB ASP A 37 -8.327 11.222 -3.632 1.00 0.00 C ATOM 591 CG ASP A 37 -8.629 12.402 -2.727 1.00 0.00 C ATOM 592 OD1 ASP A 37 -7.696 13.156 -2.389 1.00 0.00 O ATOM 593 OD2 ASP A 37 -9.811 12.587 -2.367 1.00 0.00 O ATOM 0 H ASP A 37 -7.852 9.093 -4.760 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.679 10.349 -2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.674 11.550 -4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.254 10.877 -4.090 1.00 0.00 H new ATOM 598 N LEU A 38 -9.680 9.099 -1.920 1.00 0.00 N ATOM 599 CA LEU A 38 -10.558 8.666 -0.834 1.00 0.00 C ATOM 600 C LEU A 38 -9.933 7.499 -0.070 1.00 0.00 C ATOM 601 O LEU A 38 -10.126 7.348 1.144 1.00 0.00 O ATOM 602 CB LEU A 38 -11.943 8.281 -1.381 1.00 0.00 C ATOM 603 CG LEU A 38 -11.937 7.383 -2.627 1.00 0.00 C ATOM 604 CD1 LEU A 38 -12.750 6.115 -2.400 1.00 0.00 C ATOM 605 CD2 LEU A 38 -12.483 8.143 -3.830 1.00 0.00 C ATOM 0 H LEU A 38 -10.047 8.927 -2.856 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.684 9.497 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.498 7.773 -0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.488 9.195 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.905 7.094 -2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.726 5.501 -3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.325 5.555 -1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.782 6.381 -2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.473 7.494 -4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.505 8.461 -3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.862 9.018 -4.020 1.00 0.00 H new ATOM 617 N ALA A 39 -9.146 6.707 -0.787 1.00 0.00 N ATOM 618 CA ALA A 39 -8.508 5.537 -0.215 1.00 0.00 C ATOM 619 C ALA A 39 -7.492 5.947 0.817 1.00 0.00 C ATOM 620 O ALA A 39 -7.539 5.502 1.956 1.00 0.00 O ATOM 621 CB ALA A 39 -7.817 4.744 -1.302 1.00 0.00 C ATOM 0 H ALA A 39 -8.936 6.859 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.274 4.923 0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.340 3.867 -0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.551 4.427 -2.043 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.062 5.366 -1.782 1.00 0.00 H new ATOM 627 N SER A 40 -6.602 6.831 0.416 1.00 0.00 N ATOM 628 CA SER A 40 -5.557 7.295 1.296 1.00 0.00 C ATOM 629 C SER A 40 -6.140 8.060 2.473 1.00 0.00 C ATOM 630 O SER A 40 -5.538 8.111 3.543 1.00 0.00 O ATOM 631 CB SER A 40 -4.573 8.167 0.531 1.00 0.00 C ATOM 632 OG SER A 40 -5.221 9.255 -0.101 1.00 0.00 O ATOM 0 H SER A 40 -6.584 7.242 -0.517 1.00 0.00 H new ATOM 0 HA SER A 40 -5.027 6.426 1.686 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.812 8.544 1.215 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.059 7.565 -0.218 1.00 0.00 H new ATOM 0 HG SER A 40 -6.189 9.182 0.034 1.00 0.00 H new ATOM 638 N LYS A 41 -7.309 8.656 2.270 1.00 0.00 N ATOM 639 CA LYS A 41 -7.973 9.388 3.336 1.00 0.00 C ATOM 640 C LYS A 41 -8.340 8.458 4.495 1.00 0.00 C ATOM 641 O LYS A 41 -8.005 8.731 5.648 1.00 0.00 O ATOM 642 CB LYS A 41 -9.231 10.076 2.809 1.00 0.00 C ATOM 643 CG LYS A 41 -9.777 11.131 3.754 1.00 0.00 C ATOM 644 CD LYS A 41 -8.885 12.358 3.767 1.00 0.00 C ATOM 645 CE LYS A 41 -8.826 13.015 2.394 1.00 0.00 C ATOM 646 NZ LYS A 41 -10.135 13.601 2.000 1.00 0.00 N ATOM 0 H LYS A 41 -7.812 8.646 1.383 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.279 10.144 3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.008 10.539 1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.000 9.325 2.630 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.785 11.412 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.852 10.720 4.761 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.259 13.074 4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.880 12.076 4.081 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.066 13.796 2.398 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.521 12.277 1.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.016 14.167 1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.818 12.837 1.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.488 14.209 2.766 1.00 0.00 H new ATOM 660 N GLU A 42 -9.014 7.351 4.189 1.00 0.00 N ATOM 661 CA GLU A 42 -9.427 6.409 5.232 1.00 0.00 C ATOM 662 C GLU A 42 -8.266 5.481 5.611 1.00 0.00 C ATOM 663 O GLU A 42 -8.258 4.877 6.686 1.00 0.00 O ATOM 664 CB GLU A 42 -10.652 5.600 4.779 1.00 0.00 C ATOM 665 CG GLU A 42 -11.231 4.693 5.861 1.00 0.00 C ATOM 666 CD GLU A 42 -12.504 3.982 5.428 1.00 0.00 C ATOM 667 OE1 GLU A 42 -13.548 4.658 5.288 1.00 0.00 O ATOM 668 OE2 GLU A 42 -12.478 2.745 5.260 1.00 0.00 O ATOM 0 H GLU A 42 -9.284 7.085 3.242 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.709 6.978 6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.427 6.290 4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.375 4.991 3.919 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.484 3.950 6.141 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.439 5.287 6.751 1.00 0.00 H new ATOM 675 N LEU A 43 -7.281 5.397 4.724 1.00 0.00 N ATOM 676 CA LEU A 43 -6.109 4.549 4.932 1.00 0.00 C ATOM 677 C LEU A 43 -5.141 5.174 5.933 1.00 0.00 C ATOM 678 O LEU A 43 -4.315 4.481 6.521 1.00 0.00 O ATOM 679 CB LEU A 43 -5.371 4.336 3.603 1.00 0.00 C ATOM 680 CG LEU A 43 -5.010 2.889 3.274 1.00 0.00 C ATOM 681 CD1 LEU A 43 -4.282 2.241 4.436 1.00 0.00 C ATOM 682 CD2 LEU A 43 -6.261 2.109 2.916 1.00 0.00 C ATOM 0 H LEU A 43 -7.270 5.912 3.843 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.460 3.595 5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.990 4.730 2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.455 4.926 3.618 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.340 2.882 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.034 1.211 4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.366 2.794 4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.922 2.252 5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.993 1.078 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.952 2.123 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.738 2.565 2.048 1.00 0.00 H new ATOM 694 N GLY A 44 -5.257 6.482 6.133 1.00 0.00 N ATOM 695 CA GLY A 44 -4.249 7.217 6.880 1.00 0.00 C ATOM 696 C GLY A 44 -4.018 6.718 8.299 1.00 0.00 C ATOM 697 O GLY A 44 -2.931 6.898 8.846 1.00 0.00 O ATOM 0 H GLY A 44 -6.033 7.049 5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.306 7.170 6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.541 8.266 6.922 1.00 0.00 H new ATOM 701 N GLU A 45 -5.020 6.088 8.906 1.00 0.00 N ATOM 702 CA GLU A 45 -4.876 5.600 10.259 1.00 0.00 C ATOM 703 C GLU A 45 -4.004 4.347 10.307 1.00 0.00 C ATOM 704 O GLU A 45 -3.456 4.002 11.353 1.00 0.00 O ATOM 705 CB GLU A 45 -6.231 5.335 10.914 1.00 0.00 C ATOM 706 CG GLU A 45 -7.002 4.170 10.323 1.00 0.00 C ATOM 707 CD GLU A 45 -8.290 3.916 11.070 1.00 0.00 C ATOM 708 OE1 GLU A 45 -8.248 3.256 12.130 1.00 0.00 O ATOM 709 OE2 GLU A 45 -9.352 4.389 10.612 1.00 0.00 O ATOM 0 H GLU A 45 -5.929 5.908 8.481 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.379 6.385 10.829 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.076 5.149 11.977 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.841 6.235 10.834 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.223 4.374 9.275 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.383 3.273 10.349 1.00 0.00 H new ATOM 716 N SER A 46 -3.866 3.675 9.171 1.00 0.00 N ATOM 717 CA SER A 46 -3.038 2.490 9.089 1.00 0.00 C ATOM 718 C SER A 46 -1.648 2.869 8.609 1.00 0.00 C ATOM 719 O SER A 46 -1.478 3.385 7.503 1.00 0.00 O ATOM 720 CB SER A 46 -3.684 1.479 8.159 1.00 0.00 C ATOM 721 OG SER A 46 -4.981 1.128 8.610 1.00 0.00 O ATOM 0 H SER A 46 -4.320 3.935 8.295 1.00 0.00 H new ATOM 0 HA SER A 46 -2.945 2.035 10.075 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.745 1.893 7.153 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.062 0.586 8.099 1.00 0.00 H new ATOM 0 HG SER A 46 -5.377 0.477 7.993 1.00 0.00 H new ATOM 727 N LEU A 47 -0.656 2.601 9.443 1.00 0.00 N ATOM 728 CA LEU A 47 0.667 3.186 9.277 1.00 0.00 C ATOM 729 C LEU A 47 1.411 2.662 8.070 1.00 0.00 C ATOM 730 O LEU A 47 2.478 3.178 7.758 1.00 0.00 O ATOM 731 CB LEU A 47 1.555 2.930 10.496 1.00 0.00 C ATOM 732 CG LEU A 47 0.910 3.149 11.858 1.00 0.00 C ATOM 733 CD1 LEU A 47 -0.020 4.348 11.833 1.00 0.00 C ATOM 734 CD2 LEU A 47 0.182 1.890 12.284 1.00 0.00 C ATOM 0 H LEU A 47 -0.742 1.979 10.246 1.00 0.00 H new ATOM 0 HA LEU A 47 0.476 4.251 9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.913 1.902 10.448 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.430 3.576 10.424 1.00 0.00 H new ATOM 0 HG LEU A 47 1.689 3.364 12.590 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.467 4.482 12.818 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.545 5.241 11.566 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.807 4.183 11.097 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.279 2.048 13.259 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.590 1.651 11.552 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.890 1.064 12.348 1.00 0.00 H new ATOM 746 N GLU A 48 0.887 1.675 7.366 1.00 0.00 N ATOM 747 CA GLU A 48 1.683 1.115 6.303 1.00 0.00 C ATOM 748 C GLU A 48 1.628 2.046 5.108 1.00 0.00 C ATOM 749 O GLU A 48 2.554 2.110 4.308 1.00 0.00 O ATOM 750 CB GLU A 48 1.136 -0.263 5.931 1.00 0.00 C ATOM 751 CG GLU A 48 2.176 -1.209 5.392 1.00 0.00 C ATOM 752 CD GLU A 48 3.509 -1.065 6.087 1.00 0.00 C ATOM 753 OE1 GLU A 48 3.742 -1.734 7.112 1.00 0.00 O ATOM 754 OE2 GLU A 48 4.331 -0.275 5.607 1.00 0.00 O ATOM 0 H GLU A 48 -0.037 1.265 7.503 1.00 0.00 H new ATOM 0 HA GLU A 48 2.719 1.004 6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.675 -0.710 6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.349 -0.142 5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.822 -2.234 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.306 -1.030 4.325 1.00 0.00 H new ATOM 761 N TYR A 49 0.617 2.899 5.091 1.00 0.00 N ATOM 762 CA TYR A 49 0.549 3.940 4.084 1.00 0.00 C ATOM 763 C TYR A 49 1.323 5.165 4.555 1.00 0.00 C ATOM 764 O TYR A 49 1.671 6.045 3.768 1.00 0.00 O ATOM 765 CB TYR A 49 -0.932 4.232 3.766 1.00 0.00 C ATOM 766 CG TYR A 49 -1.313 5.686 3.650 1.00 0.00 C ATOM 767 CD1 TYR A 49 -1.148 6.364 2.455 1.00 0.00 C ATOM 768 CD2 TYR A 49 -1.848 6.371 4.728 1.00 0.00 C ATOM 769 CE1 TYR A 49 -1.495 7.692 2.330 1.00 0.00 C ATOM 770 CE2 TYR A 49 -2.198 7.705 4.622 1.00 0.00 C ATOM 771 CZ TYR A 49 -2.024 8.365 3.421 1.00 0.00 C ATOM 772 OH TYR A 49 -2.362 9.699 3.320 1.00 0.00 O ATOM 0 H TYR A 49 -0.158 2.891 5.755 1.00 0.00 H new ATOM 0 HA TYR A 49 1.021 3.619 3.155 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.186 3.735 2.829 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.546 3.778 4.544 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.739 5.842 1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.994 5.856 5.666 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.356 8.205 1.390 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.605 8.228 5.474 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.719 10.012 4.177 1.00 0.00 H new ATOM 782 N LYS A 50 1.634 5.186 5.847 1.00 0.00 N ATOM 783 CA LYS A 50 2.534 6.191 6.395 1.00 0.00 C ATOM 784 C LYS A 50 3.969 5.709 6.275 1.00 0.00 C ATOM 785 O LYS A 50 4.915 6.467 6.477 1.00 0.00 O ATOM 786 CB LYS A 50 2.177 6.466 7.856 1.00 0.00 C ATOM 787 CG LYS A 50 1.990 7.939 8.171 1.00 0.00 C ATOM 788 CD LYS A 50 1.305 8.136 9.513 1.00 0.00 C ATOM 789 CE LYS A 50 -0.063 7.478 9.519 1.00 0.00 C ATOM 790 NZ LYS A 50 -0.897 7.913 10.673 1.00 0.00 N ATOM 0 H LYS A 50 1.276 4.520 6.532 1.00 0.00 H new ATOM 0 HA LYS A 50 2.429 7.120 5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.260 5.931 8.104 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.963 6.064 8.495 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.960 8.437 8.179 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.397 8.408 7.386 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.921 7.713 10.307 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.203 9.201 9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.581 7.715 8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.058 6.395 9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.899 7.724 10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.613 7.388 11.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.763 8.932 10.834 1.00 0.00 H new ATOM 804 N ALA A 51 4.117 4.434 5.941 1.00 0.00 N ATOM 805 CA ALA A 51 5.429 3.863 5.689 1.00 0.00 C ATOM 806 C ALA A 51 5.894 4.133 4.257 1.00 0.00 C ATOM 807 O ALA A 51 7.008 3.774 3.877 1.00 0.00 O ATOM 808 CB ALA A 51 5.407 2.379 5.995 1.00 0.00 C ATOM 0 H ALA A 51 3.343 3.777 5.839 1.00 0.00 H new ATOM 0 HA ALA A 51 6.151 4.345 6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.392 1.954 5.805 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.142 2.227 7.041 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.671 1.887 5.359 1.00 0.00 H new ATOM 814 N LEU A 52 5.041 4.787 3.475 1.00 0.00 N ATOM 815 CA LEU A 52 5.328 5.054 2.070 1.00 0.00 C ATOM 816 C LEU A 52 5.163 6.538 1.782 1.00 0.00 C ATOM 817 O LEU A 52 4.782 6.939 0.676 1.00 0.00 O ATOM 818 CB LEU A 52 4.407 4.243 1.151 1.00 0.00 C ATOM 819 CG LEU A 52 4.409 2.731 1.355 1.00 0.00 C ATOM 820 CD1 LEU A 52 3.485 2.093 0.336 1.00 0.00 C ATOM 821 CD2 LEU A 52 5.817 2.159 1.243 1.00 0.00 C ATOM 0 H LEU A 52 4.140 5.144 3.793 1.00 0.00 H new ATOM 0 HA LEU A 52 6.357 4.754 1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.387 4.605 1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.687 4.449 0.118 1.00 0.00 H new ATOM 0 HG LEU A 52 4.051 2.508 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.481 1.012 0.475 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.475 2.480 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.834 2.328 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.784 1.080 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.220 2.376 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.455 2.612 2.002 1.00 0.00 H new ATOM 833 N GLY A 53 5.448 7.343 2.798 1.00 0.00 N ATOM 834 CA GLY A 53 5.410 8.795 2.666 1.00 0.00 C ATOM 835 C GLY A 53 6.356 9.317 1.599 1.00 0.00 C ATOM 836 O GLY A 53 6.141 10.392 1.047 1.00 0.00 O ATOM 0 H GLY A 53 5.709 7.013 3.727 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.393 9.106 2.427 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.665 9.249 3.624 1.00 0.00 H new ATOM 840 N ASP A 54 7.402 8.554 1.303 1.00 0.00 N ATOM 841 CA ASP A 54 8.369 8.958 0.288 1.00 0.00 C ATOM 842 C ASP A 54 8.213 8.092 -0.960 1.00 0.00 C ATOM 843 O ASP A 54 8.307 8.583 -2.086 1.00 0.00 O ATOM 844 CB ASP A 54 9.797 8.883 0.842 1.00 0.00 C ATOM 845 CG ASP A 54 10.825 9.494 -0.093 1.00 0.00 C ATOM 846 OD1 ASP A 54 10.543 10.558 -0.686 1.00 0.00 O ATOM 847 OD2 ASP A 54 11.937 8.936 -0.210 1.00 0.00 O ATOM 0 H ASP A 54 7.602 7.658 1.748 1.00 0.00 H new ATOM 0 HA ASP A 54 8.176 9.994 0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.836 9.396 1.803 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.056 7.840 1.027 1.00 0.00 H new ATOM 852 N GLU A 55 7.932 6.807 -0.751 1.00 0.00 N ATOM 853 CA GLU A 55 7.587 5.892 -1.841 1.00 0.00 C ATOM 854 C GLU A 55 6.136 6.133 -2.240 1.00 0.00 C ATOM 855 O GLU A 55 5.323 5.207 -2.326 1.00 0.00 O ATOM 856 CB GLU A 55 7.783 4.433 -1.404 1.00 0.00 C ATOM 857 CG GLU A 55 9.228 3.950 -1.442 1.00 0.00 C ATOM 858 CD GLU A 55 10.187 4.820 -0.650 1.00 0.00 C ATOM 859 OE1 GLU A 55 9.983 4.992 0.572 1.00 0.00 O ATOM 860 OE2 GLU A 55 11.168 5.315 -1.248 1.00 0.00 O ATOM 0 H GLU A 55 7.936 6.372 0.171 1.00 0.00 H new ATOM 0 HA GLU A 55 8.241 6.078 -2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.401 4.316 -0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.182 3.791 -2.047 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.271 2.932 -1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.561 3.910 -2.479 1.00 0.00 H new ATOM 867 N ASP A 56 5.837 7.395 -2.500 1.00 0.00 N ATOM 868 CA ASP A 56 4.474 7.866 -2.631 1.00 0.00 C ATOM 869 C ASP A 56 3.819 7.328 -3.894 1.00 0.00 C ATOM 870 O ASP A 56 2.695 6.821 -3.846 1.00 0.00 O ATOM 871 CB ASP A 56 4.448 9.403 -2.614 1.00 0.00 C ATOM 872 CG ASP A 56 4.820 10.036 -3.943 1.00 0.00 C ATOM 873 OD1 ASP A 56 5.979 9.880 -4.382 1.00 0.00 O ATOM 874 OD2 ASP A 56 3.950 10.694 -4.555 1.00 0.00 O ATOM 0 H ASP A 56 6.540 8.124 -2.626 1.00 0.00 H new ATOM 0 HA ASP A 56 3.900 7.493 -1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.450 9.737 -2.329 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.135 9.760 -1.847 1.00 0.00 H new ATOM 879 N ASN A 57 4.528 7.414 -5.017 1.00 0.00 N ATOM 880 CA ASN A 57 3.976 6.987 -6.294 1.00 0.00 C ATOM 881 C ASN A 57 3.893 5.471 -6.337 1.00 0.00 C ATOM 882 O ASN A 57 3.073 4.908 -7.060 1.00 0.00 O ATOM 883 CB ASN A 57 4.824 7.520 -7.461 1.00 0.00 C ATOM 884 CG ASN A 57 5.923 6.562 -7.896 1.00 0.00 C ATOM 885 OD1 ASN A 57 5.753 5.788 -8.837 1.00 0.00 O ATOM 886 ND2 ASN A 57 7.050 6.582 -7.195 1.00 0.00 N ATOM 0 H ASN A 57 5.481 7.774 -5.066 1.00 0.00 H new ATOM 0 HA ASN A 57 2.972 7.398 -6.398 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.172 7.724 -8.311 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.274 8.469 -7.170 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.809 5.942 -7.431 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.157 7.237 -6.421 1.00 0.00 H new ATOM 893 N ILE A 58 4.723 4.801 -5.540 1.00 0.00 N ATOM 894 CA ILE A 58 4.640 3.364 -5.448 1.00 0.00 C ATOM 895 C ILE A 58 3.317 2.997 -4.813 1.00 0.00 C ATOM 896 O ILE A 58 2.504 2.313 -5.416 1.00 0.00 O ATOM 897 CB ILE A 58 5.788 2.777 -4.594 1.00 0.00 C ATOM 898 CG1 ILE A 58 7.111 2.779 -5.351 1.00 0.00 C ATOM 899 CG2 ILE A 58 5.461 1.368 -4.132 1.00 0.00 C ATOM 900 CD1 ILE A 58 7.789 4.126 -5.408 1.00 0.00 C ATOM 0 H ILE A 58 5.445 5.230 -4.962 1.00 0.00 H new ATOM 0 HA ILE A 58 4.723 2.950 -6.453 1.00 0.00 H new ATOM 0 HB ILE A 58 5.893 3.419 -3.720 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.787 2.064 -4.881 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.935 2.430 -6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.286 0.981 -3.534 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.552 1.384 -3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.310 0.726 -5.000 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.723 4.040 -5.964 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.135 4.842 -5.906 1.00 0.00 H new ATOM 0 HD13 ILE A 58 8.000 4.470 -4.396 1.00 0.00 H new ATOM 912 N ARG A 59 3.083 3.567 -3.637 1.00 0.00 N ATOM 913 CA ARG A 59 1.906 3.261 -2.835 1.00 0.00 C ATOM 914 C ARG A 59 0.602 3.490 -3.605 1.00 0.00 C ATOM 915 O ARG A 59 -0.303 2.658 -3.561 1.00 0.00 O ATOM 916 CB ARG A 59 1.940 4.084 -1.553 1.00 0.00 C ATOM 917 CG ARG A 59 0.682 4.849 -1.245 1.00 0.00 C ATOM 918 CD ARG A 59 0.841 5.609 0.031 1.00 0.00 C ATOM 919 NE ARG A 59 1.855 6.639 -0.090 1.00 0.00 N ATOM 920 CZ ARG A 59 1.575 7.918 -0.274 1.00 0.00 C ATOM 921 NH1 ARG A 59 0.323 8.327 -0.448 1.00 0.00 N ATOM 922 NH2 ARG A 59 2.550 8.793 -0.309 1.00 0.00 N ATOM 0 H ARG A 59 3.705 4.255 -3.213 1.00 0.00 H new ATOM 0 HA ARG A 59 1.931 2.200 -2.585 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.153 3.416 -0.718 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.768 4.790 -1.616 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.456 5.536 -2.061 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.160 4.162 -1.165 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.111 6.064 0.307 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.111 4.923 0.834 1.00 0.00 H new ATOM 0 HE ARG A 59 2.835 6.362 -0.030 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.440 7.650 -0.441 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.125 9.318 -0.589 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.516 8.485 -0.195 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.343 9.782 -0.451 1.00 0.00 H new ATOM 936 N ARG A 60 0.518 4.610 -4.321 1.00 0.00 N ATOM 937 CA ARG A 60 -0.676 4.933 -5.085 1.00 0.00 C ATOM 938 C ARG A 60 -0.875 3.931 -6.215 1.00 0.00 C ATOM 939 O ARG A 60 -1.992 3.460 -6.459 1.00 0.00 O ATOM 940 CB ARG A 60 -0.579 6.354 -5.650 1.00 0.00 C ATOM 941 CG ARG A 60 0.804 6.683 -6.178 1.00 0.00 C ATOM 942 CD ARG A 60 0.797 7.805 -7.195 1.00 0.00 C ATOM 943 NE ARG A 60 -0.442 7.843 -7.971 1.00 0.00 N ATOM 944 CZ ARG A 60 -1.188 8.926 -8.115 1.00 0.00 C ATOM 945 NH1 ARG A 60 -0.792 10.083 -7.595 1.00 0.00 N ATOM 946 NH2 ARG A 60 -2.321 8.858 -8.793 1.00 0.00 N ATOM 0 H ARG A 60 1.262 5.304 -4.385 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.536 4.879 -4.418 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.307 6.471 -6.453 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.845 7.069 -4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.449 6.960 -5.344 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.235 5.791 -6.632 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.932 8.758 -6.683 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.643 7.685 -7.871 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.749 6.984 -8.428 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.089 10.137 -7.084 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.369 10.917 -7.707 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.618 7.972 -9.203 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.899 9.691 -8.906 1.00 0.00 H new ATOM 960 N GLN A 61 0.213 3.582 -6.889 1.00 0.00 N ATOM 961 CA GLN A 61 0.117 2.711 -8.041 1.00 0.00 C ATOM 962 C GLN A 61 -0.108 1.255 -7.656 1.00 0.00 C ATOM 963 O GLN A 61 -0.872 0.575 -8.335 1.00 0.00 O ATOM 964 CB GLN A 61 1.325 2.867 -8.963 1.00 0.00 C ATOM 965 CG GLN A 61 1.325 4.210 -9.677 1.00 0.00 C ATOM 966 CD GLN A 61 -0.071 4.616 -10.128 1.00 0.00 C ATOM 967 OE1 GLN A 61 -0.404 5.801 -10.160 1.00 0.00 O ATOM 968 NE2 GLN A 61 -0.892 3.636 -10.484 1.00 0.00 N ATOM 0 H GLN A 61 1.159 3.887 -6.658 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.767 3.025 -8.596 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.241 2.765 -8.381 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.325 2.064 -9.700 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.728 4.974 -9.012 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.986 4.160 -10.543 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.577 2.667 -10.443 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.838 3.852 -10.799 1.00 0.00 H new ATOM 977 N ILE A 62 0.529 0.753 -6.584 1.00 0.00 N ATOM 978 CA ILE A 62 0.199 -0.606 -6.142 1.00 0.00 C ATOM 979 C ILE A 62 -1.263 -0.683 -5.790 1.00 0.00 C ATOM 980 O ILE A 62 -1.959 -1.574 -6.253 1.00 0.00 O ATOM 981 CB ILE A 62 0.997 -1.163 -4.936 1.00 0.00 C ATOM 982 CG1 ILE A 62 1.870 -0.122 -4.270 1.00 0.00 C ATOM 983 CG2 ILE A 62 1.825 -2.355 -5.369 1.00 0.00 C ATOM 984 CD1 ILE A 62 2.473 -0.601 -2.972 1.00 0.00 C ATOM 0 H ILE A 62 1.238 1.239 -6.035 1.00 0.00 H new ATOM 0 HA ILE A 62 0.476 -1.225 -6.995 1.00 0.00 H new ATOM 0 HB ILE A 62 0.268 -1.475 -4.188 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.670 0.164 -4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 62 1.278 0.773 -4.081 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.383 -2.740 -4.515 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.167 -3.134 -5.754 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.522 -2.050 -6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.088 0.190 -2.543 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.676 -0.860 -2.274 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.091 -1.479 -3.160 1.00 0.00 H new ATOM 996 N PHE A 63 -1.729 0.275 -4.998 1.00 0.00 N ATOM 997 CA PHE A 63 -3.118 0.295 -4.569 1.00 0.00 C ATOM 998 C PHE A 63 -4.077 0.110 -5.747 1.00 0.00 C ATOM 999 O PHE A 63 -4.976 -0.737 -5.711 1.00 0.00 O ATOM 1000 CB PHE A 63 -3.445 1.590 -3.839 1.00 0.00 C ATOM 1001 CG PHE A 63 -4.907 1.923 -3.912 1.00 0.00 C ATOM 1002 CD1 PHE A 63 -5.838 1.140 -3.247 1.00 0.00 C ATOM 1003 CD2 PHE A 63 -5.355 2.992 -4.676 1.00 0.00 C ATOM 1004 CE1 PHE A 63 -7.183 1.414 -3.342 1.00 0.00 C ATOM 1005 CE2 PHE A 63 -6.699 3.268 -4.768 1.00 0.00 C ATOM 1006 CZ PHE A 63 -7.608 2.476 -4.103 1.00 0.00 C ATOM 0 H PHE A 63 -1.165 1.046 -4.641 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.251 -0.543 -3.884 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.145 1.503 -2.795 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.865 2.406 -4.271 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.504 0.306 -2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.643 3.611 -5.202 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.901 0.798 -2.821 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.041 4.104 -5.360 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.664 2.691 -4.180 1.00 0.00 H new ATOM 1016 N GLU A 64 -3.873 0.906 -6.779 1.00 0.00 N ATOM 1017 CA GLU A 64 -4.721 0.885 -7.963 1.00 0.00 C ATOM 1018 C GLU A 64 -4.557 -0.434 -8.738 1.00 0.00 C ATOM 1019 O GLU A 64 -5.523 -0.989 -9.264 1.00 0.00 O ATOM 1020 CB GLU A 64 -4.355 2.087 -8.839 1.00 0.00 C ATOM 1021 CG GLU A 64 -5.300 2.351 -9.995 1.00 0.00 C ATOM 1022 CD GLU A 64 -4.910 3.600 -10.759 1.00 0.00 C ATOM 1023 OE1 GLU A 64 -3.886 3.569 -11.471 1.00 0.00 O ATOM 1024 OE2 GLU A 64 -5.615 4.624 -10.639 1.00 0.00 O ATOM 0 H GLU A 64 -3.115 1.587 -6.824 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.768 0.951 -7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.317 2.977 -8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.352 1.935 -9.237 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.298 1.495 -10.670 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.317 2.457 -9.618 1.00 0.00 H new ATOM 1031 N ASP A 65 -3.323 -0.921 -8.789 1.00 0.00 N ATOM 1032 CA ASP A 65 -2.969 -2.139 -9.530 1.00 0.00 C ATOM 1033 C ASP A 65 -3.246 -3.418 -8.726 1.00 0.00 C ATOM 1034 O ASP A 65 -3.102 -4.519 -9.246 1.00 0.00 O ATOM 1035 CB ASP A 65 -1.487 -2.080 -9.926 1.00 0.00 C ATOM 1036 CG ASP A 65 -1.060 -3.221 -10.833 1.00 0.00 C ATOM 1037 OD1 ASP A 65 -1.374 -3.178 -12.045 1.00 0.00 O ATOM 1038 OD2 ASP A 65 -0.375 -4.150 -10.351 1.00 0.00 O ATOM 0 H ASP A 65 -2.531 -0.484 -8.317 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.598 -2.179 -10.420 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.290 -1.133 -10.428 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.876 -2.095 -9.023 1.00 0.00 H new ATOM 1043 N PHE A 66 -3.621 -3.268 -7.456 1.00 0.00 N ATOM 1044 CA PHE A 66 -3.676 -4.391 -6.517 1.00 0.00 C ATOM 1045 C PHE A 66 -4.530 -5.556 -7.010 1.00 0.00 C ATOM 1046 O PHE A 66 -4.057 -6.691 -7.055 1.00 0.00 O ATOM 1047 CB PHE A 66 -4.213 -3.899 -5.177 1.00 0.00 C ATOM 1048 CG PHE A 66 -3.163 -3.414 -4.218 1.00 0.00 C ATOM 1049 CD1 PHE A 66 -1.843 -3.812 -4.346 1.00 0.00 C ATOM 1050 CD2 PHE A 66 -3.508 -2.571 -3.173 1.00 0.00 C ATOM 1051 CE1 PHE A 66 -0.887 -3.375 -3.450 1.00 0.00 C ATOM 1052 CE2 PHE A 66 -2.557 -2.134 -2.272 1.00 0.00 C ATOM 1053 CZ PHE A 66 -1.243 -2.535 -2.412 1.00 0.00 C ATOM 0 H PHE A 66 -3.893 -2.373 -7.050 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.659 -4.770 -6.418 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.920 -3.090 -5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.770 -4.708 -4.705 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.558 -4.470 -5.154 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.534 -2.252 -3.062 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.140 -3.690 -3.561 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.840 -1.480 -1.460 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.495 -2.193 -1.712 1.00 0.00 H new ATOM 1063 N LYS A 67 -5.764 -5.254 -7.394 1.00 0.00 N ATOM 1064 CA LYS A 67 -6.743 -6.253 -7.844 1.00 0.00 C ATOM 1065 C LYS A 67 -7.050 -7.284 -6.748 1.00 0.00 C ATOM 1066 O LYS A 67 -6.239 -8.161 -6.460 1.00 0.00 O ATOM 1067 CB LYS A 67 -6.278 -6.994 -9.111 1.00 0.00 C ATOM 1068 CG LYS A 67 -5.441 -6.167 -10.072 1.00 0.00 C ATOM 1069 CD LYS A 67 -6.224 -4.997 -10.639 1.00 0.00 C ATOM 1070 CE LYS A 67 -6.481 -5.181 -12.125 1.00 0.00 C ATOM 1071 NZ LYS A 67 -7.478 -4.215 -12.659 1.00 0.00 N ATOM 0 H LYS A 67 -6.124 -4.300 -7.404 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.650 -5.695 -8.077 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.700 -7.868 -8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.157 -7.360 -9.642 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.556 -5.796 -9.556 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.092 -6.800 -10.888 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.173 -4.901 -10.112 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.672 -4.072 -10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.543 -5.067 -12.669 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.832 -6.197 -12.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.616 -4.385 -13.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.383 -4.339 -12.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.134 -3.245 -12.513 1.00 0.00 H new ATOM 1085 N PRO A 68 -8.241 -7.201 -6.132 1.00 0.00 N ATOM 1086 CA PRO A 68 -8.644 -8.073 -5.029 1.00 0.00 C ATOM 1087 C PRO A 68 -9.255 -9.380 -5.525 1.00 0.00 C ATOM 1088 O PRO A 68 -9.053 -9.764 -6.680 1.00 0.00 O ATOM 1089 CB PRO A 68 -9.705 -7.221 -4.291 1.00 0.00 C ATOM 1090 CG PRO A 68 -9.789 -5.940 -5.072 1.00 0.00 C ATOM 1091 CD PRO A 68 -9.316 -6.272 -6.437 1.00 0.00 C ATOM 0 HA PRO A 68 -7.803 -8.374 -4.404 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.669 -7.729 -4.262 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -9.412 -7.035 -3.258 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.811 -5.560 -5.093 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.170 -5.165 -4.621 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.097 -6.728 -7.046 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.963 -5.394 -6.977 1.00 0.00 H new ATOM 1099 N GLU A 69 -10.007 -10.042 -4.645 1.00 0.00 N ATOM 1100 CA GLU A 69 -10.656 -11.313 -4.950 1.00 0.00 C ATOM 1101 C GLU A 69 -9.621 -12.440 -4.995 1.00 0.00 C ATOM 1102 O GLU A 69 -9.481 -13.145 -3.973 1.00 0.00 O ATOM 1103 CB GLU A 69 -11.468 -11.219 -6.253 1.00 0.00 C ATOM 1104 CG GLU A 69 -12.268 -12.465 -6.574 1.00 0.00 C ATOM 1105 CD GLU A 69 -13.114 -12.291 -7.818 1.00 0.00 C ATOM 1106 OE1 GLU A 69 -12.605 -12.546 -8.932 1.00 0.00 O ATOM 1107 OE2 GLU A 69 -14.290 -11.884 -7.689 1.00 0.00 O ATOM 1108 OXT GLU A 69 -8.926 -12.593 -6.020 1.00 0.00 O ATOM 0 H GLU A 69 -10.182 -9.708 -3.697 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.363 -11.547 -4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.149 -10.371 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.787 -11.015 -7.079 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.589 -13.306 -6.712 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.912 -12.710 -5.729 1.00 0.00 H new TER 1115 GLU A 69