USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 575 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 37 GLN : amide:sc= -0.0317 K(o=0.044,f=-2.6!) USER MOD Set 1.2: A 44 HIS : no HE2:sc= 0.0757 K(o=0.044,f=-4.5!) USER MOD Set 2.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.22 K(o=-1.2,f=-2.5) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 83:sc= 1.25 USER MOD Single : A 27 MET CE :methyl -163:sc= -0.869 (180deg=-1.34) USER MOD Single : A 28 SER OG : rot 86:sc= 0.0963 USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0348) USER MOD Single : A 31 MET CE :methyl 160:sc= -0.152 (180deg=-0.529) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -150:sc= -0.0275 USER MOD Single : A 49 TYR OH : rot -91:sc= 1.28 USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= -0.0458 (180deg=-0.3) USER MOD Single : A 52 LYS NZ :NH3+ -142:sc= 1.28 (180deg=0.572) USER MOD Single : A 57 THR OG1 : rot -130:sc= 0.0803 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.252 K(o=-0.25,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 170:sc= -0.876 (180deg=-1) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.721 -6.465 -24.566 1.00 0.00 N ATOM 2 CA GLY A 1 -4.719 -6.504 -23.487 1.00 0.00 C ATOM 3 C GLY A 1 -4.858 -5.140 -22.836 1.00 0.00 C ATOM 4 O GLY A 1 -3.974 -4.718 -22.085 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.641 -7.407 -24.999 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.017 -5.777 -25.288 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.799 -6.183 -24.176 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.682 -6.822 -23.887 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.425 -7.241 -22.740 1.00 0.00 H new ATOM 8 N SER A 2 -5.961 -4.434 -23.095 1.00 0.00 N ATOM 9 CA SER A 2 -6.201 -3.089 -22.596 1.00 0.00 C ATOM 10 C SER A 2 -7.668 -2.951 -22.182 1.00 0.00 C ATOM 11 O SER A 2 -8.499 -3.822 -22.471 1.00 0.00 O ATOM 12 CB SER A 2 -5.717 -2.092 -23.659 1.00 0.00 C ATOM 13 OG SER A 2 -5.885 -0.738 -23.287 1.00 0.00 O ATOM 0 H SER A 2 -6.724 -4.793 -23.669 1.00 0.00 H new ATOM 0 HA SER A 2 -5.635 -2.870 -21.691 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.662 -2.275 -23.863 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.257 -2.274 -24.588 1.00 0.00 H new ATOM 0 HG SER A 2 -5.556 -0.158 -24.005 1.00 0.00 H new ATOM 19 N SER A 3 -7.951 -1.895 -21.416 1.00 0.00 N ATOM 20 CA SER A 3 -9.108 -1.793 -20.536 1.00 0.00 C ATOM 21 C SER A 3 -9.234 -3.019 -19.615 1.00 0.00 C ATOM 22 O SER A 3 -8.343 -3.877 -19.567 1.00 0.00 O ATOM 23 CB SER A 3 -10.362 -1.487 -21.363 1.00 0.00 C ATOM 24 OG SER A 3 -10.191 -0.287 -22.094 1.00 0.00 O ATOM 0 H SER A 3 -7.360 -1.064 -21.393 1.00 0.00 H new ATOM 0 HA SER A 3 -8.975 -0.955 -19.852 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.564 -2.311 -22.047 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.227 -1.399 -20.705 1.00 0.00 H new ATOM 0 HG SER A 3 -10.999 -0.105 -22.618 1.00 0.00 H new ATOM 30 N GLY A 4 -10.288 -3.071 -18.806 1.00 0.00 N ATOM 31 CA GLY A 4 -10.478 -4.105 -17.801 1.00 0.00 C ATOM 32 C GLY A 4 -11.134 -5.341 -18.398 1.00 0.00 C ATOM 33 O GLY A 4 -11.327 -5.449 -19.612 1.00 0.00 O ATOM 0 H GLY A 4 -11.043 -2.386 -18.833 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.515 -4.375 -17.367 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.096 -3.718 -16.990 1.00 0.00 H new ATOM 37 N SER A 5 -11.497 -6.270 -17.522 1.00 0.00 N ATOM 38 CA SER A 5 -12.491 -7.291 -17.784 1.00 0.00 C ATOM 39 C SER A 5 -13.214 -7.503 -16.459 1.00 0.00 C ATOM 40 O SER A 5 -12.568 -7.828 -15.456 1.00 0.00 O ATOM 41 CB SER A 5 -11.829 -8.564 -18.332 1.00 0.00 C ATOM 42 OG SER A 5 -12.742 -9.649 -18.360 1.00 0.00 O ATOM 0 H SER A 5 -11.095 -6.331 -16.587 1.00 0.00 H new ATOM 0 HA SER A 5 -13.205 -6.999 -18.554 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.453 -8.377 -19.338 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.970 -8.825 -17.714 1.00 0.00 H new ATOM 0 HG SER A 5 -12.294 -10.445 -18.715 1.00 0.00 H new ATOM 48 N SER A 6 -14.534 -7.329 -16.475 1.00 0.00 N ATOM 49 CA SER A 6 -15.432 -7.432 -15.331 1.00 0.00 C ATOM 50 C SER A 6 -15.120 -6.414 -14.228 1.00 0.00 C ATOM 51 O SER A 6 -14.119 -5.696 -14.274 1.00 0.00 O ATOM 52 CB SER A 6 -15.421 -8.862 -14.779 1.00 0.00 C ATOM 53 OG SER A 6 -15.410 -9.833 -15.811 1.00 0.00 O ATOM 0 H SER A 6 -15.031 -7.100 -17.335 1.00 0.00 H new ATOM 0 HA SER A 6 -16.433 -7.192 -15.688 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.545 -8.998 -14.145 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.298 -9.013 -14.149 1.00 0.00 H new ATOM 0 HG SER A 6 -15.401 -10.730 -15.416 1.00 0.00 H new ATOM 59 N GLY A 7 -15.981 -6.354 -13.213 1.00 0.00 N ATOM 60 CA GLY A 7 -15.815 -5.435 -12.105 1.00 0.00 C ATOM 61 C GLY A 7 -14.720 -5.887 -11.146 1.00 0.00 C ATOM 62 O GLY A 7 -14.107 -6.949 -11.313 1.00 0.00 O ATOM 0 H GLY A 7 -16.810 -6.944 -13.142 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.574 -4.444 -12.489 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.757 -5.346 -11.564 1.00 0.00 H new ATOM 66 N ARG A 8 -14.479 -5.073 -10.122 1.00 0.00 N ATOM 67 CA ARG A 8 -13.588 -5.388 -9.008 1.00 0.00 C ATOM 68 C ARG A 8 -14.168 -6.567 -8.232 1.00 0.00 C ATOM 69 O ARG A 8 -15.383 -6.628 -8.012 1.00 0.00 O ATOM 70 CB ARG A 8 -13.435 -4.136 -8.130 1.00 0.00 C ATOM 71 CG ARG A 8 -12.472 -3.126 -8.783 1.00 0.00 C ATOM 72 CD ARG A 8 -12.924 -1.670 -8.623 1.00 0.00 C ATOM 73 NE ARG A 8 -13.886 -1.264 -9.661 1.00 0.00 N ATOM 74 CZ ARG A 8 -13.928 -0.062 -10.249 1.00 0.00 C ATOM 75 NH1 ARG A 8 -13.236 0.957 -9.757 1.00 0.00 N ATOM 76 NH2 ARG A 8 -14.678 0.130 -11.327 1.00 0.00 N ATOM 0 H ARG A 8 -14.909 -4.152 -10.041 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.597 -5.675 -9.361 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -14.409 -3.671 -7.978 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.060 -4.419 -7.146 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.481 -3.242 -8.344 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.379 -3.356 -9.844 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.377 -1.539 -7.640 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.053 -1.016 -8.662 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.576 -1.954 -9.956 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.664 0.829 -8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.276 1.868 -10.214 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.226 -0.640 -11.711 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.707 1.048 -11.771 1.00 0.00 H new ATOM 90 N GLY A 9 -13.318 -7.507 -7.838 1.00 0.00 N ATOM 91 CA GLY A 9 -13.690 -8.798 -7.291 1.00 0.00 C ATOM 92 C GLY A 9 -13.016 -9.880 -8.116 1.00 0.00 C ATOM 93 O GLY A 9 -13.628 -10.435 -9.036 1.00 0.00 O ATOM 0 H GLY A 9 -12.307 -7.381 -7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.383 -8.870 -6.248 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.773 -8.922 -7.314 1.00 0.00 H new ATOM 97 N ARG A 10 -11.750 -10.169 -7.822 1.00 0.00 N ATOM 98 CA ARG A 10 -11.025 -11.329 -8.329 1.00 0.00 C ATOM 99 C ARG A 10 -10.025 -11.763 -7.258 1.00 0.00 C ATOM 100 O ARG A 10 -9.781 -10.999 -6.326 1.00 0.00 O ATOM 101 CB ARG A 10 -10.314 -10.945 -9.639 1.00 0.00 C ATOM 102 CG ARG A 10 -10.082 -12.141 -10.574 1.00 0.00 C ATOM 103 CD ARG A 10 -11.414 -12.547 -11.220 1.00 0.00 C ATOM 104 NE ARG A 10 -11.238 -13.522 -12.303 1.00 0.00 N ATOM 105 CZ ARG A 10 -10.865 -13.252 -13.560 1.00 0.00 C ATOM 106 NH1 ARG A 10 -10.522 -12.017 -13.915 1.00 0.00 N ATOM 107 NH2 ARG A 10 -10.839 -14.237 -14.446 1.00 0.00 N ATOM 0 H ARG A 10 -11.185 -9.584 -7.206 1.00 0.00 H new ATOM 0 HA ARG A 10 -11.700 -12.158 -8.544 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.908 -10.194 -10.160 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.354 -10.485 -9.403 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.356 -11.880 -11.344 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.666 -12.979 -10.015 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.070 -12.969 -10.459 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.910 -11.659 -11.612 1.00 0.00 H new ATOM 0 HE ARG A 10 -11.417 -14.500 -12.076 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.542 -11.264 -13.227 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.239 -11.822 -14.876 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.101 -15.182 -14.166 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.557 -14.050 -15.408 1.00 0.00 H new ATOM 121 N TYR A 11 -9.430 -12.950 -7.400 1.00 0.00 N ATOM 122 CA TYR A 11 -8.353 -13.449 -6.544 1.00 0.00 C ATOM 123 C TYR A 11 -8.735 -13.387 -5.053 1.00 0.00 C ATOM 124 O TYR A 11 -9.927 -13.402 -4.707 1.00 0.00 O ATOM 125 CB TYR A 11 -7.053 -12.696 -6.890 1.00 0.00 C ATOM 126 CG TYR A 11 -6.746 -12.594 -8.373 1.00 0.00 C ATOM 127 CD1 TYR A 11 -6.368 -13.743 -9.090 1.00 0.00 C ATOM 128 CD2 TYR A 11 -6.818 -11.352 -9.032 1.00 0.00 C ATOM 129 CE1 TYR A 11 -6.022 -13.640 -10.447 1.00 0.00 C ATOM 130 CE2 TYR A 11 -6.512 -11.254 -10.402 1.00 0.00 C ATOM 131 CZ TYR A 11 -6.095 -12.398 -11.115 1.00 0.00 C ATOM 132 OH TYR A 11 -5.748 -12.297 -12.430 1.00 0.00 O ATOM 0 H TYR A 11 -9.692 -13.608 -8.134 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.182 -14.508 -6.737 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -7.113 -11.689 -6.477 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -6.219 -13.194 -6.395 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -6.344 -14.704 -8.597 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -7.110 -10.469 -8.483 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -5.697 -14.519 -10.985 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.596 -10.303 -10.908 1.00 0.00 H new ATOM 0 HH TYR A 11 -5.860 -11.370 -12.728 1.00 0.00 H new ATOM 142 N ARG A 12 -7.755 -13.366 -4.148 1.00 0.00 N ATOM 143 CA ARG A 12 -7.951 -13.004 -2.749 1.00 0.00 C ATOM 144 C ARG A 12 -7.048 -11.830 -2.413 1.00 0.00 C ATOM 145 O ARG A 12 -6.058 -11.581 -3.108 1.00 0.00 O ATOM 146 CB ARG A 12 -7.635 -14.197 -1.820 1.00 0.00 C ATOM 147 CG ARG A 12 -8.825 -14.581 -0.928 1.00 0.00 C ATOM 148 CD ARG A 12 -9.588 -15.776 -1.499 1.00 0.00 C ATOM 149 NE ARG A 12 -10.152 -15.531 -2.836 1.00 0.00 N ATOM 150 CZ ARG A 12 -10.431 -16.476 -3.738 1.00 0.00 C ATOM 151 NH1 ARG A 12 -10.221 -17.757 -3.446 1.00 0.00 N ATOM 152 NH2 ARG A 12 -10.981 -16.152 -4.898 1.00 0.00 N ATOM 0 H ARG A 12 -6.789 -13.604 -4.373 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.994 -12.727 -2.596 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.346 -15.057 -2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.780 -13.947 -1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.468 -14.820 0.074 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.499 -13.730 -0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.918 -16.634 -1.548 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.395 -16.041 -0.816 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.345 -14.563 -3.094 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.847 -18.017 -2.533 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.434 -18.479 -4.135 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.194 -15.177 -5.107 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.192 -16.878 -5.583 1.00 0.00 H new ATOM 166 N GLN A 13 -7.326 -11.225 -1.258 1.00 0.00 N ATOM 167 CA GLN A 13 -6.620 -10.090 -0.681 1.00 0.00 C ATOM 168 C GLN A 13 -6.564 -8.893 -1.628 1.00 0.00 C ATOM 169 O GLN A 13 -6.971 -8.954 -2.787 1.00 0.00 O ATOM 170 CB GLN A 13 -5.210 -10.493 -0.221 1.00 0.00 C ATOM 171 CG GLN A 13 -5.229 -11.561 0.871 1.00 0.00 C ATOM 172 CD GLN A 13 -3.800 -11.893 1.253 1.00 0.00 C ATOM 173 OE1 GLN A 13 -3.237 -11.328 2.183 1.00 0.00 O ATOM 174 NE2 GLN A 13 -3.172 -12.760 0.487 1.00 0.00 N ATOM 0 H GLN A 13 -8.097 -11.536 -0.668 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.191 -9.776 0.192 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -4.645 -10.864 -1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.687 -9.611 0.148 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.779 -11.202 1.741 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.742 -12.455 0.516 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.667 -13.215 -0.280 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.191 -12.977 0.661 1.00 0.00 H new ATOM 183 N TYR A 14 -6.016 -7.787 -1.138 1.00 0.00 N ATOM 184 CA TYR A 14 -5.647 -6.689 -2.005 1.00 0.00 C ATOM 185 C TYR A 14 -4.567 -7.139 -3.000 1.00 0.00 C ATOM 186 O TYR A 14 -3.775 -8.052 -2.717 1.00 0.00 O ATOM 187 CB TYR A 14 -5.184 -5.516 -1.145 1.00 0.00 C ATOM 188 CG TYR A 14 -3.746 -5.578 -0.659 1.00 0.00 C ATOM 189 CD1 TYR A 14 -2.717 -5.122 -1.505 1.00 0.00 C ATOM 190 CD2 TYR A 14 -3.432 -6.041 0.634 1.00 0.00 C ATOM 191 CE1 TYR A 14 -1.376 -5.220 -1.114 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.091 -6.132 1.046 1.00 0.00 C ATOM 193 CZ TYR A 14 -1.062 -5.740 0.161 1.00 0.00 C ATOM 194 OH TYR A 14 0.232 -5.844 0.553 1.00 0.00 O ATOM 0 H TYR A 14 -5.821 -7.633 -0.149 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.506 -6.365 -2.593 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.315 -4.597 -1.717 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.838 -5.447 -0.276 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.964 -4.693 -2.465 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.224 -6.327 1.311 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.589 -4.901 -1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.849 -6.499 2.032 1.00 0.00 H new ATOM 0 HH TYR A 14 0.271 -6.220 1.457 1.00 0.00 H new ATOM 204 N ASN A 15 -4.489 -6.446 -4.133 1.00 0.00 N ATOM 205 CA ASN A 15 -3.478 -6.601 -5.173 1.00 0.00 C ATOM 206 C ASN A 15 -2.625 -5.345 -5.320 1.00 0.00 C ATOM 207 O ASN A 15 -3.005 -4.286 -4.832 1.00 0.00 O ATOM 208 CB ASN A 15 -4.069 -7.044 -6.509 1.00 0.00 C ATOM 209 CG ASN A 15 -4.851 -5.996 -7.278 1.00 0.00 C ATOM 210 OD1 ASN A 15 -5.930 -5.614 -6.869 1.00 0.00 O ATOM 211 ND2 ASN A 15 -4.352 -5.511 -8.400 1.00 0.00 N ATOM 0 H ASN A 15 -5.168 -5.720 -4.362 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.821 -7.407 -4.847 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.256 -7.397 -7.143 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.725 -7.896 -6.328 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.873 -4.811 -8.929 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.446 -5.836 -8.738 1.00 0.00 H new ATOM 218 N SER A 16 -1.435 -5.452 -5.908 1.00 0.00 N ATOM 219 CA SER A 16 -0.458 -4.366 -5.977 1.00 0.00 C ATOM 220 C SER A 16 -1.001 -3.079 -6.610 1.00 0.00 C ATOM 221 O SER A 16 -0.458 -2.003 -6.367 1.00 0.00 O ATOM 222 CB SER A 16 0.780 -4.865 -6.729 1.00 0.00 C ATOM 223 OG SER A 16 0.471 -5.415 -7.996 1.00 0.00 O ATOM 0 H SER A 16 -1.117 -6.310 -6.358 1.00 0.00 H new ATOM 0 HA SER A 16 -0.202 -4.092 -4.953 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.478 -4.038 -6.858 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.286 -5.618 -6.125 1.00 0.00 H new ATOM 0 HG SER A 16 1.296 -5.715 -8.432 1.00 0.00 H new ATOM 229 N GLU A 17 -2.054 -3.177 -7.419 1.00 0.00 N ATOM 230 CA GLU A 17 -2.679 -2.043 -8.085 1.00 0.00 C ATOM 231 C GLU A 17 -3.802 -1.474 -7.219 1.00 0.00 C ATOM 232 O GLU A 17 -3.927 -0.255 -7.145 1.00 0.00 O ATOM 233 CB GLU A 17 -3.206 -2.464 -9.457 1.00 0.00 C ATOM 234 CG GLU A 17 -2.145 -3.160 -10.329 1.00 0.00 C ATOM 235 CD GLU A 17 -2.767 -3.856 -11.542 1.00 0.00 C ATOM 236 OE1 GLU A 17 -3.799 -3.398 -12.082 1.00 0.00 O ATOM 237 OE2 GLU A 17 -2.246 -4.920 -11.953 1.00 0.00 O ATOM 0 H GLU A 17 -2.504 -4.067 -7.632 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.933 -1.261 -8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.054 -3.136 -9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.577 -1.584 -9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.415 -2.425 -10.668 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.605 -3.892 -9.728 1.00 0.00 H new ATOM 244 N ILE A 18 -4.566 -2.321 -6.510 1.00 0.00 N ATOM 245 CA ILE A 18 -5.378 -1.895 -5.378 1.00 0.00 C ATOM 246 C ILE A 18 -4.509 -1.080 -4.435 1.00 0.00 C ATOM 247 O ILE A 18 -4.917 0.002 -4.046 1.00 0.00 O ATOM 248 CB ILE A 18 -6.035 -3.116 -4.692 1.00 0.00 C ATOM 249 CG1 ILE A 18 -7.302 -3.498 -5.470 1.00 0.00 C ATOM 250 CG2 ILE A 18 -6.400 -2.846 -3.213 1.00 0.00 C ATOM 251 CD1 ILE A 18 -8.559 -2.701 -5.135 1.00 0.00 C ATOM 0 H ILE A 18 -4.632 -3.319 -6.712 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.198 -1.260 -5.712 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.310 -3.930 -4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.098 -3.386 -6.535 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.508 -4.554 -5.294 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.857 -3.737 -2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.497 -2.596 -2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.103 -2.015 -3.158 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.389 -3.058 -5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.802 -2.831 -4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.386 -1.645 -5.340 1.00 0.00 H new ATOM 263 N LEU A 19 -3.351 -1.582 -4.020 1.00 0.00 N ATOM 264 CA LEU A 19 -2.539 -0.974 -2.970 1.00 0.00 C ATOM 265 C LEU A 19 -2.227 0.501 -3.265 1.00 0.00 C ATOM 266 O LEU A 19 -2.290 1.333 -2.362 1.00 0.00 O ATOM 267 CB LEU A 19 -1.288 -1.840 -2.789 1.00 0.00 C ATOM 268 CG LEU A 19 -0.193 -1.217 -1.914 1.00 0.00 C ATOM 269 CD1 LEU A 19 -0.688 -1.012 -0.475 1.00 0.00 C ATOM 270 CD2 LEU A 19 0.993 -2.178 -1.961 1.00 0.00 C ATOM 0 H LEU A 19 -2.944 -2.433 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.089 -0.949 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.584 -2.793 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.868 -2.057 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 19 0.091 -0.231 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.108 -0.569 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.552 -0.348 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.972 -1.974 -0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.806 -1.783 -1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.689 -3.150 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.332 -2.288 -2.991 1.00 0.00 H new ATOM 282 N GLU A 20 -1.944 0.831 -4.524 1.00 0.00 N ATOM 283 CA GLU A 20 -1.646 2.197 -4.953 1.00 0.00 C ATOM 284 C GLU A 20 -2.851 3.132 -4.755 1.00 0.00 C ATOM 285 O GLU A 20 -2.659 4.327 -4.538 1.00 0.00 O ATOM 286 CB GLU A 20 -1.205 2.183 -6.424 1.00 0.00 C ATOM 287 CG GLU A 20 0.106 1.409 -6.667 1.00 0.00 C ATOM 288 CD GLU A 20 1.367 2.278 -6.599 1.00 0.00 C ATOM 289 OE1 GLU A 20 1.508 3.189 -7.452 1.00 0.00 O ATOM 290 OE2 GLU A 20 2.281 1.919 -5.814 1.00 0.00 O ATOM 0 H GLU A 20 -1.915 0.150 -5.283 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.837 2.584 -4.334 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.997 1.739 -7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.080 3.210 -6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.187 0.612 -5.928 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.058 0.933 -7.646 1.00 0.00 H new ATOM 297 N GLU A 21 -4.079 2.607 -4.781 1.00 0.00 N ATOM 298 CA GLU A 21 -5.315 3.302 -4.476 1.00 0.00 C ATOM 299 C GLU A 21 -5.304 3.794 -3.035 1.00 0.00 C ATOM 300 O GLU A 21 -5.400 4.996 -2.805 1.00 0.00 O ATOM 301 CB GLU A 21 -6.508 2.413 -4.714 1.00 0.00 C ATOM 302 CG GLU A 21 -6.676 1.776 -6.103 1.00 0.00 C ATOM 303 CD GLU A 21 -7.598 2.590 -7.004 1.00 0.00 C ATOM 304 OE1 GLU A 21 -8.757 2.828 -6.588 1.00 0.00 O ATOM 305 OE2 GLU A 21 -7.168 3.036 -8.089 1.00 0.00 O ATOM 0 H GLU A 21 -4.237 1.631 -5.030 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.393 4.161 -5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.474 1.607 -3.981 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.405 2.997 -4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.699 1.681 -6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.076 0.768 -5.992 1.00 0.00 H new ATOM 312 N ALA A 22 -5.211 2.882 -2.058 1.00 0.00 N ATOM 313 CA ALA A 22 -5.227 3.250 -0.639 1.00 0.00 C ATOM 314 C ALA A 22 -4.033 4.111 -0.245 1.00 0.00 C ATOM 315 O ALA A 22 -4.063 4.744 0.808 1.00 0.00 O ATOM 316 CB ALA A 22 -5.248 2.032 0.270 1.00 0.00 C ATOM 0 H ALA A 22 -5.124 1.880 -2.227 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.145 3.823 -0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.259 2.355 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.140 1.440 0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.360 1.427 0.088 1.00 0.00 H new ATOM 322 N ILE A 23 -2.992 4.134 -1.067 1.00 0.00 N ATOM 323 CA ILE A 23 -1.904 5.087 -0.926 1.00 0.00 C ATOM 324 C ILE A 23 -2.439 6.429 -1.407 1.00 0.00 C ATOM 325 O ILE A 23 -2.552 7.358 -0.612 1.00 0.00 O ATOM 326 CB ILE A 23 -0.665 4.517 -1.648 1.00 0.00 C ATOM 327 CG1 ILE A 23 -0.101 3.456 -0.690 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.416 5.545 -1.987 1.00 0.00 C ATOM 329 CD1 ILE A 23 0.772 2.392 -1.359 1.00 0.00 C ATOM 0 H ILE A 23 -2.880 3.491 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.560 5.254 0.095 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.967 4.125 -2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.486 3.956 0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.932 2.961 -0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.245 5.049 -2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.002 6.310 -2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.776 6.010 -1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.126 1.686 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.187 1.860 -2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.626 2.871 -1.838 1.00 0.00 H new ATOM 341 N SER A 24 -2.840 6.505 -2.668 1.00 0.00 N ATOM 342 CA SER A 24 -3.316 7.710 -3.323 1.00 0.00 C ATOM 343 C SER A 24 -4.389 8.477 -2.527 1.00 0.00 C ATOM 344 O SER A 24 -4.241 9.691 -2.370 1.00 0.00 O ATOM 345 CB SER A 24 -3.756 7.326 -4.735 1.00 0.00 C ATOM 346 OG SER A 24 -2.624 6.866 -5.459 1.00 0.00 O ATOM 0 H SER A 24 -2.842 5.694 -3.286 1.00 0.00 H new ATOM 0 HA SER A 24 -2.502 8.433 -3.377 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.519 6.549 -4.694 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.202 8.184 -5.238 1.00 0.00 H new ATOM 0 HG SER A 24 -2.464 5.922 -5.250 1.00 0.00 H new ATOM 352 N VAL A 25 -5.413 7.820 -1.962 1.00 0.00 N ATOM 353 CA VAL A 25 -6.387 8.473 -1.079 1.00 0.00 C ATOM 354 C VAL A 25 -5.684 9.145 0.104 1.00 0.00 C ATOM 355 O VAL A 25 -5.810 10.350 0.289 1.00 0.00 O ATOM 356 CB VAL A 25 -7.496 7.489 -0.619 1.00 0.00 C ATOM 357 CG1 VAL A 25 -8.697 7.536 -1.560 1.00 0.00 C ATOM 358 CG2 VAL A 25 -7.031 6.075 -0.380 1.00 0.00 C ATOM 0 H VAL A 25 -5.588 6.825 -2.104 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.886 9.256 -1.650 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.804 7.845 0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.458 6.837 -1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.110 8.545 -1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.382 7.260 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.875 5.463 -0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.615 5.668 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.266 6.070 0.397 1.00 0.00 H new ATOM 368 N VAL A 26 -4.971 8.379 0.920 1.00 0.00 N ATOM 369 CA VAL A 26 -4.262 8.819 2.118 1.00 0.00 C ATOM 370 C VAL A 26 -3.332 9.982 1.770 1.00 0.00 C ATOM 371 O VAL A 26 -3.341 10.996 2.472 1.00 0.00 O ATOM 372 CB VAL A 26 -3.516 7.609 2.726 1.00 0.00 C ATOM 373 CG1 VAL A 26 -2.643 7.976 3.931 1.00 0.00 C ATOM 374 CG2 VAL A 26 -4.512 6.538 3.190 1.00 0.00 C ATOM 0 H VAL A 26 -4.865 7.378 0.756 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.957 9.191 2.871 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.872 7.238 1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.149 7.081 4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.892 8.705 3.627 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.267 8.404 4.716 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.968 5.695 3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.174 6.960 3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.102 6.197 2.339 1.00 0.00 H new ATOM 384 N MET A 27 -2.582 9.866 0.677 1.00 0.00 N ATOM 385 CA MET A 27 -1.645 10.868 0.219 1.00 0.00 C ATOM 386 C MET A 27 -2.332 12.191 -0.067 1.00 0.00 C ATOM 387 O MET A 27 -2.054 13.188 0.603 1.00 0.00 O ATOM 388 CB MET A 27 -0.901 10.358 -1.012 1.00 0.00 C ATOM 389 CG MET A 27 0.088 9.273 -0.613 1.00 0.00 C ATOM 390 SD MET A 27 1.146 8.814 -1.989 1.00 0.00 S ATOM 391 CE MET A 27 2.701 9.134 -1.166 1.00 0.00 C ATOM 0 H MET A 27 -2.616 9.045 0.073 1.00 0.00 H new ATOM 0 HA MET A 27 -0.925 11.051 1.016 1.00 0.00 H new ATOM 0 HB2 MET A 27 -1.612 9.964 -1.739 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.374 11.181 -1.495 1.00 0.00 H new ATOM 0 HG2 MET A 27 0.700 9.624 0.218 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.454 8.396 -0.261 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.496 9.210 -1.908 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.633 10.069 -0.610 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.923 8.318 -0.478 1.00 0.00 H new ATOM 401 N SER A 28 -3.295 12.196 -0.995 1.00 0.00 N ATOM 402 CA SER A 28 -4.091 13.361 -1.315 1.00 0.00 C ATOM 403 C SER A 28 -4.885 13.875 -0.104 1.00 0.00 C ATOM 404 O SER A 28 -5.377 15.004 -0.143 1.00 0.00 O ATOM 405 CB SER A 28 -5.011 12.983 -2.474 1.00 0.00 C ATOM 406 OG SER A 28 -4.276 12.549 -3.605 1.00 0.00 O ATOM 0 H SER A 28 -3.538 11.373 -1.547 1.00 0.00 H new ATOM 0 HA SER A 28 -3.438 14.185 -1.602 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.691 12.192 -2.156 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.625 13.841 -2.746 1.00 0.00 H new ATOM 0 HG SER A 28 -4.080 11.592 -3.521 1.00 0.00 H new ATOM 412 N GLY A 29 -4.962 13.110 0.992 1.00 0.00 N ATOM 413 CA GLY A 29 -5.578 13.544 2.230 1.00 0.00 C ATOM 414 C GLY A 29 -7.055 13.197 2.262 1.00 0.00 C ATOM 415 O GLY A 29 -7.822 13.888 2.931 1.00 0.00 O ATOM 0 H GLY A 29 -4.590 12.161 1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.073 13.074 3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.453 14.621 2.343 1.00 0.00 H new ATOM 419 N LYS A 30 -7.471 12.163 1.526 1.00 0.00 N ATOM 420 CA LYS A 30 -8.857 11.720 1.470 1.00 0.00 C ATOM 421 C LYS A 30 -9.235 10.982 2.746 1.00 0.00 C ATOM 422 O LYS A 30 -10.415 10.931 3.087 1.00 0.00 O ATOM 423 CB LYS A 30 -9.058 10.816 0.240 1.00 0.00 C ATOM 424 CG LYS A 30 -8.767 11.495 -1.112 1.00 0.00 C ATOM 425 CD LYS A 30 -9.534 12.810 -1.308 1.00 0.00 C ATOM 426 CE LYS A 30 -9.417 13.330 -2.745 1.00 0.00 C ATOM 427 NZ LYS A 30 -10.170 12.525 -3.724 1.00 0.00 N ATOM 0 H LYS A 30 -6.843 11.606 0.947 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.507 12.591 1.381 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.413 9.943 0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.086 10.454 0.236 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.698 11.691 -1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.025 10.808 -1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.585 12.658 -1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.150 13.561 -0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.774 14.359 -2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.366 13.347 -3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.147 12.995 -4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.739 11.582 -3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.157 12.429 -3.409 1.00 0.00 H new ATOM 441 N MET A 31 -8.275 10.363 3.432 1.00 0.00 N ATOM 442 CA MET A 31 -8.517 9.675 4.691 1.00 0.00 C ATOM 443 C MET A 31 -7.223 9.481 5.485 1.00 0.00 C ATOM 444 O MET A 31 -6.147 9.872 5.037 1.00 0.00 O ATOM 445 CB MET A 31 -9.201 8.332 4.414 1.00 0.00 C ATOM 446 CG MET A 31 -8.439 7.390 3.493 1.00 0.00 C ATOM 447 SD MET A 31 -9.440 6.076 2.746 1.00 0.00 S ATOM 448 CE MET A 31 -10.703 6.950 1.819 1.00 0.00 C ATOM 0 H MET A 31 -7.303 10.327 3.125 1.00 0.00 H new ATOM 0 HA MET A 31 -9.174 10.292 5.304 1.00 0.00 H new ATOM 0 HB2 MET A 31 -9.369 7.826 5.365 1.00 0.00 H new ATOM 0 HB3 MET A 31 -10.181 8.526 3.978 1.00 0.00 H new ATOM 0 HG2 MET A 31 -7.982 7.976 2.696 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.627 6.932 4.057 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.126 6.286 1.066 1.00 0.00 H new ATOM 0 HE2 MET A 31 -11.491 7.278 2.497 1.00 0.00 H new ATOM 0 HE3 MET A 31 -10.260 7.818 1.330 1.00 0.00 H new ATOM 458 N SER A 32 -7.327 8.884 6.672 1.00 0.00 N ATOM 459 CA SER A 32 -6.201 8.372 7.446 1.00 0.00 C ATOM 460 C SER A 32 -5.711 7.045 6.869 1.00 0.00 C ATOM 461 O SER A 32 -6.480 6.334 6.215 1.00 0.00 O ATOM 462 CB SER A 32 -6.657 8.136 8.892 1.00 0.00 C ATOM 463 OG SER A 32 -7.159 9.331 9.446 1.00 0.00 O ATOM 0 H SER A 32 -8.225 8.740 7.134 1.00 0.00 H new ATOM 0 HA SER A 32 -5.390 9.100 7.409 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.426 7.364 8.917 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.821 7.773 9.490 1.00 0.00 H new ATOM 0 HG SER A 32 -7.448 9.168 10.368 1.00 0.00 H new ATOM 469 N VAL A 33 -4.490 6.653 7.238 1.00 0.00 N ATOM 470 CA VAL A 33 -4.000 5.286 7.104 1.00 0.00 C ATOM 471 C VAL A 33 -5.035 4.355 7.730 1.00 0.00 C ATOM 472 O VAL A 33 -5.541 3.468 7.044 1.00 0.00 O ATOM 473 CB VAL A 33 -2.602 5.149 7.757 1.00 0.00 C ATOM 474 CG1 VAL A 33 -2.131 3.700 7.988 1.00 0.00 C ATOM 475 CG2 VAL A 33 -1.550 5.913 6.940 1.00 0.00 C ATOM 0 H VAL A 33 -3.805 7.290 7.645 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.873 5.015 6.056 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.711 5.586 8.749 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.143 3.708 8.449 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.834 3.189 8.646 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.082 3.177 7.033 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.574 5.806 7.413 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.510 5.508 5.929 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.819 6.968 6.897 1.00 0.00 H new ATOM 485 N SER A 34 -5.389 4.583 9.001 1.00 0.00 N ATOM 486 CA SER A 34 -6.296 3.726 9.758 1.00 0.00 C ATOM 487 C SER A 34 -7.679 3.560 9.113 1.00 0.00 C ATOM 488 O SER A 34 -8.453 2.687 9.504 1.00 0.00 O ATOM 489 CB SER A 34 -6.424 4.287 11.181 1.00 0.00 C ATOM 490 OG SER A 34 -6.753 5.670 11.162 1.00 0.00 O ATOM 0 H SER A 34 -5.046 5.381 9.536 1.00 0.00 H new ATOM 0 HA SER A 34 -5.866 2.725 9.772 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.191 3.736 11.724 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.487 4.141 11.718 1.00 0.00 H new ATOM 0 HG SER A 34 -6.830 6.001 12.081 1.00 0.00 H new ATOM 496 N LYS A 35 -8.027 4.429 8.167 1.00 0.00 N ATOM 497 CA LYS A 35 -9.276 4.406 7.445 1.00 0.00 C ATOM 498 C LYS A 35 -9.073 3.556 6.202 1.00 0.00 C ATOM 499 O LYS A 35 -9.609 2.451 6.152 1.00 0.00 O ATOM 500 CB LYS A 35 -9.685 5.848 7.190 1.00 0.00 C ATOM 501 CG LYS A 35 -10.921 5.962 6.300 1.00 0.00 C ATOM 502 CD LYS A 35 -11.782 7.113 6.784 1.00 0.00 C ATOM 503 CE LYS A 35 -12.868 7.480 5.781 1.00 0.00 C ATOM 504 NZ LYS A 35 -13.746 8.510 6.354 1.00 0.00 N ATOM 0 H LYS A 35 -7.417 5.194 7.879 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.100 3.949 7.993 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.882 6.339 8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.856 6.379 6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.624 6.126 5.264 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.489 5.032 6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.243 6.845 7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.152 7.983 6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.416 7.846 4.859 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.450 6.596 5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.486 8.757 5.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.188 8.146 7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.186 9.357 6.580 1.00 0.00 H new ATOM 518 N ALA A 36 -8.294 4.038 5.227 1.00 0.00 N ATOM 519 CA ALA A 36 -8.032 3.336 3.978 1.00 0.00 C ATOM 520 C ALA A 36 -7.601 1.883 4.173 1.00 0.00 C ATOM 521 O ALA A 36 -8.045 1.038 3.404 1.00 0.00 O ATOM 522 CB ALA A 36 -6.931 4.069 3.204 1.00 0.00 C ATOM 0 H ALA A 36 -7.824 4.941 5.290 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.973 3.325 3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.733 3.545 2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.254 5.087 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.021 4.097 3.804 1.00 0.00 H new ATOM 528 N GLN A 37 -6.814 1.588 5.209 1.00 0.00 N ATOM 529 CA GLN A 37 -6.522 0.250 5.703 1.00 0.00 C ATOM 530 C GLN A 37 -7.778 -0.616 5.580 1.00 0.00 C ATOM 531 O GLN A 37 -7.840 -1.552 4.784 1.00 0.00 O ATOM 532 CB GLN A 37 -6.057 0.425 7.166 1.00 0.00 C ATOM 533 CG GLN A 37 -6.074 -0.828 8.053 1.00 0.00 C ATOM 534 CD GLN A 37 -6.415 -0.484 9.502 1.00 0.00 C ATOM 535 OE1 GLN A 37 -5.870 0.440 10.104 1.00 0.00 O ATOM 536 NE2 GLN A 37 -7.368 -1.190 10.076 1.00 0.00 N ATOM 0 H GLN A 37 -6.343 2.313 5.749 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.743 -0.255 5.132 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.041 0.819 7.154 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.687 1.181 7.634 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.803 -1.539 7.666 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.100 -1.316 8.013 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.813 -1.954 9.568 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.661 -0.972 11.029 1.00 0.00 H new ATOM 545 N SER A 38 -8.806 -0.268 6.345 1.00 0.00 N ATOM 546 CA SER A 38 -10.005 -1.061 6.453 1.00 0.00 C ATOM 547 C SER A 38 -10.857 -0.940 5.177 1.00 0.00 C ATOM 548 O SER A 38 -11.523 -1.906 4.792 1.00 0.00 O ATOM 549 CB SER A 38 -10.751 -0.558 7.694 1.00 0.00 C ATOM 550 OG SER A 38 -11.872 -1.353 8.040 1.00 0.00 O ATOM 0 H SER A 38 -8.822 0.582 6.909 1.00 0.00 H new ATOM 0 HA SER A 38 -9.774 -2.121 6.558 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.061 -0.531 8.537 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.082 0.466 7.519 1.00 0.00 H new ATOM 0 HG SER A 38 -12.303 -0.982 8.838 1.00 0.00 H new ATOM 556 N ILE A 39 -10.863 0.230 4.519 1.00 0.00 N ATOM 557 CA ILE A 39 -11.680 0.457 3.324 1.00 0.00 C ATOM 558 C ILE A 39 -11.253 -0.507 2.220 1.00 0.00 C ATOM 559 O ILE A 39 -12.103 -1.152 1.606 1.00 0.00 O ATOM 560 CB ILE A 39 -11.653 1.933 2.860 1.00 0.00 C ATOM 561 CG1 ILE A 39 -12.283 2.789 3.976 1.00 0.00 C ATOM 562 CG2 ILE A 39 -12.390 2.125 1.517 1.00 0.00 C ATOM 563 CD1 ILE A 39 -12.566 4.229 3.576 1.00 0.00 C ATOM 0 H ILE A 39 -10.306 1.037 4.800 1.00 0.00 H new ATOM 0 HA ILE A 39 -12.721 0.253 3.577 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.624 2.245 2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.216 2.322 4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -11.617 2.788 4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.348 3.175 1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.912 1.516 0.749 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -13.431 1.820 1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.008 4.760 4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.635 4.716 3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.258 4.243 2.734 1.00 0.00 H new ATOM 575 N TYR A 40 -9.954 -0.554 1.939 1.00 0.00 N ATOM 576 CA TYR A 40 -9.391 -1.249 0.795 1.00 0.00 C ATOM 577 C TYR A 40 -9.046 -2.699 1.144 1.00 0.00 C ATOM 578 O TYR A 40 -9.078 -3.554 0.254 1.00 0.00 O ATOM 579 CB TYR A 40 -8.165 -0.462 0.321 1.00 0.00 C ATOM 580 CG TYR A 40 -8.502 0.834 -0.420 1.00 0.00 C ATOM 581 CD1 TYR A 40 -8.739 2.019 0.314 1.00 0.00 C ATOM 582 CD2 TYR A 40 -8.476 0.895 -1.827 1.00 0.00 C ATOM 583 CE1 TYR A 40 -8.971 3.252 -0.323 1.00 0.00 C ATOM 584 CE2 TYR A 40 -8.731 2.119 -2.468 1.00 0.00 C ATOM 585 CZ TYR A 40 -8.994 3.288 -1.730 1.00 0.00 C ATOM 586 OH TYR A 40 -9.260 4.451 -2.373 1.00 0.00 O ATOM 0 H TYR A 40 -9.249 -0.097 2.518 1.00 0.00 H new ATOM 0 HA TYR A 40 -10.121 -1.301 -0.013 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.544 -0.223 1.184 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.569 -1.098 -0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -8.742 1.977 1.393 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -8.262 0.010 -2.407 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.128 4.151 0.255 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.725 2.164 -3.547 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.236 4.302 -3.341 1.00 0.00 H new ATOM 596 N GLY A 41 -8.774 -2.993 2.420 1.00 0.00 N ATOM 597 CA GLY A 41 -8.380 -4.312 2.897 1.00 0.00 C ATOM 598 C GLY A 41 -6.861 -4.433 2.985 1.00 0.00 C ATOM 599 O GLY A 41 -6.304 -5.491 2.683 1.00 0.00 O ATOM 0 H GLY A 41 -8.825 -2.298 3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.820 -4.494 3.878 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.771 -5.077 2.226 1.00 0.00 H new ATOM 603 N ILE A 42 -6.176 -3.347 3.347 1.00 0.00 N ATOM 604 CA ILE A 42 -4.726 -3.286 3.469 1.00 0.00 C ATOM 605 C ILE A 42 -4.373 -3.277 4.967 1.00 0.00 C ATOM 606 O ILE A 42 -5.031 -2.563 5.724 1.00 0.00 O ATOM 607 CB ILE A 42 -4.162 -2.027 2.765 1.00 0.00 C ATOM 608 CG1 ILE A 42 -4.808 -1.635 1.430 1.00 0.00 C ATOM 609 CG2 ILE A 42 -2.641 -2.220 2.598 1.00 0.00 C ATOM 610 CD1 ILE A 42 -4.726 -2.690 0.347 1.00 0.00 C ATOM 0 H ILE A 42 -6.632 -2.462 3.569 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.277 -4.153 2.984 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.410 -1.185 3.411 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.857 -1.398 1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.332 -0.724 1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.216 -1.347 2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.180 -2.343 3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.451 -3.107 1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -5.209 -2.321 -0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.680 -2.913 0.135 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.229 -3.597 0.683 1.00 0.00 H new ATOM 622 N PRO A 43 -3.354 -4.026 5.424 1.00 0.00 N ATOM 623 CA PRO A 43 -2.909 -3.950 6.812 1.00 0.00 C ATOM 624 C PRO A 43 -2.359 -2.572 7.178 1.00 0.00 C ATOM 625 O PRO A 43 -1.748 -1.913 6.341 1.00 0.00 O ATOM 626 CB PRO A 43 -1.807 -5.005 6.950 1.00 0.00 C ATOM 627 CG PRO A 43 -1.518 -5.561 5.560 1.00 0.00 C ATOM 628 CD PRO A 43 -2.583 -4.986 4.646 1.00 0.00 C ATOM 0 HA PRO A 43 -3.748 -4.124 7.485 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -0.908 -4.564 7.380 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -2.124 -5.802 7.622 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.521 -5.274 5.225 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.553 -6.650 5.561 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.127 -4.502 3.782 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.228 -5.777 4.264 1.00 0.00 H new ATOM 636 N HIS A 44 -2.495 -2.167 8.446 1.00 0.00 N ATOM 637 CA HIS A 44 -2.088 -0.845 8.916 1.00 0.00 C ATOM 638 C HIS A 44 -0.574 -0.664 8.823 1.00 0.00 C ATOM 639 O HIS A 44 -0.124 0.267 8.161 1.00 0.00 O ATOM 640 CB HIS A 44 -2.572 -0.617 10.354 1.00 0.00 C ATOM 641 CG HIS A 44 -2.408 0.807 10.820 1.00 0.00 C ATOM 642 ND1 HIS A 44 -3.432 1.703 11.010 1.00 0.00 N ATOM 643 CD2 HIS A 44 -1.237 1.430 11.161 1.00 0.00 C ATOM 644 CE1 HIS A 44 -2.890 2.841 11.479 1.00 0.00 C ATOM 645 NE2 HIS A 44 -1.557 2.723 11.583 1.00 0.00 N ATOM 0 H HIS A 44 -2.894 -2.755 9.178 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.551 -0.101 8.269 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.623 -0.896 10.425 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.021 -1.277 11.024 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.422 1.536 10.829 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.247 1.000 11.113 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -3.450 3.728 11.736 1.00 0.00 H new ATOM 653 N SER A 45 0.199 -1.535 9.489 1.00 0.00 N ATOM 654 CA SER A 45 1.659 -1.461 9.564 1.00 0.00 C ATOM 655 C SER A 45 2.232 -1.323 8.147 1.00 0.00 C ATOM 656 O SER A 45 3.020 -0.412 7.876 1.00 0.00 O ATOM 657 CB SER A 45 2.177 -2.702 10.322 1.00 0.00 C ATOM 658 OG SER A 45 3.568 -2.675 10.594 1.00 0.00 O ATOM 0 H SER A 45 -0.187 -2.328 10.001 1.00 0.00 H new ATOM 0 HA SER A 45 1.990 -0.583 10.119 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.635 -2.792 11.264 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.949 -3.593 9.737 1.00 0.00 H new ATOM 0 HG SER A 45 3.823 -3.489 11.076 1.00 0.00 H new ATOM 664 N THR A 46 1.766 -2.178 7.236 1.00 0.00 N ATOM 665 CA THR A 46 2.129 -2.176 5.835 1.00 0.00 C ATOM 666 C THR A 46 1.701 -0.882 5.135 1.00 0.00 C ATOM 667 O THR A 46 2.535 -0.247 4.495 1.00 0.00 O ATOM 668 CB THR A 46 1.464 -3.402 5.208 1.00 0.00 C ATOM 669 OG1 THR A 46 1.759 -4.551 5.976 1.00 0.00 O ATOM 670 CG2 THR A 46 1.896 -3.632 3.768 1.00 0.00 C ATOM 0 H THR A 46 1.101 -2.915 7.471 1.00 0.00 H new ATOM 0 HA THR A 46 3.212 -2.222 5.721 1.00 0.00 H new ATOM 0 HB THR A 46 0.390 -3.214 5.200 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.773 -5.339 5.394 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.393 -4.515 3.374 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.630 -2.764 3.165 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.975 -3.783 3.731 1.00 0.00 H new ATOM 678 N LEU A 47 0.421 -0.498 5.203 1.00 0.00 N ATOM 679 CA LEU A 47 -0.114 0.664 4.512 1.00 0.00 C ATOM 680 C LEU A 47 0.671 1.904 4.916 1.00 0.00 C ATOM 681 O LEU A 47 1.030 2.692 4.047 1.00 0.00 O ATOM 682 CB LEU A 47 -1.617 0.898 4.761 1.00 0.00 C ATOM 683 CG LEU A 47 -2.173 2.057 3.890 1.00 0.00 C ATOM 684 CD1 LEU A 47 -2.776 1.600 2.562 1.00 0.00 C ATOM 685 CD2 LEU A 47 -3.314 2.771 4.582 1.00 0.00 C ATOM 0 H LEU A 47 -0.278 -1.000 5.751 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.006 0.466 3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.168 -0.017 4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.780 1.125 5.815 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.301 2.690 3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.142 2.466 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.014 1.091 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.603 0.916 2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.679 3.576 3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.122 2.065 4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.964 3.187 5.527 1.00 0.00 H new ATOM 697 N GLU A 48 0.946 2.069 6.211 1.00 0.00 N ATOM 698 CA GLU A 48 1.794 3.132 6.711 1.00 0.00 C ATOM 699 C GLU A 48 3.090 3.132 5.921 1.00 0.00 C ATOM 700 O GLU A 48 3.340 4.089 5.195 1.00 0.00 O ATOM 701 CB GLU A 48 2.120 2.942 8.194 1.00 0.00 C ATOM 702 CG GLU A 48 1.026 3.435 9.122 1.00 0.00 C ATOM 703 CD GLU A 48 1.605 3.710 10.497 1.00 0.00 C ATOM 704 OE1 GLU A 48 1.982 2.732 11.181 1.00 0.00 O ATOM 705 OE2 GLU A 48 1.754 4.915 10.799 1.00 0.00 O ATOM 0 H GLU A 48 0.579 1.459 6.942 1.00 0.00 H new ATOM 0 HA GLU A 48 1.263 4.077 6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.299 1.884 8.386 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.046 3.469 8.425 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.576 4.342 8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.234 2.690 9.193 1.00 0.00 H new ATOM 712 N TYR A 49 3.894 2.075 6.064 1.00 0.00 N ATOM 713 CA TYR A 49 5.188 1.939 5.415 1.00 0.00 C ATOM 714 C TYR A 49 5.087 2.351 3.953 1.00 0.00 C ATOM 715 O TYR A 49 5.805 3.239 3.511 1.00 0.00 O ATOM 716 CB TYR A 49 5.660 0.484 5.548 1.00 0.00 C ATOM 717 CG TYR A 49 6.813 0.115 4.640 1.00 0.00 C ATOM 718 CD1 TYR A 49 8.139 0.441 4.969 1.00 0.00 C ATOM 719 CD2 TYR A 49 6.532 -0.522 3.421 1.00 0.00 C ATOM 720 CE1 TYR A 49 9.178 0.138 4.073 1.00 0.00 C ATOM 721 CE2 TYR A 49 7.560 -0.831 2.517 1.00 0.00 C ATOM 722 CZ TYR A 49 8.893 -0.502 2.847 1.00 0.00 C ATOM 723 OH TYR A 49 9.885 -0.684 1.938 1.00 0.00 O ATOM 0 H TYR A 49 3.652 1.275 6.649 1.00 0.00 H new ATOM 0 HA TYR A 49 5.916 2.593 5.894 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.955 0.304 6.582 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.821 -0.178 5.336 1.00 0.00 H new ATOM 0 HD1 TYR A 49 8.360 0.924 5.909 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.512 -0.778 3.176 1.00 0.00 H new ATOM 0 HE1 TYR A 49 10.197 0.395 4.323 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.334 -1.315 1.579 1.00 0.00 H new ATOM 0 HH TYR A 49 9.915 0.083 1.329 1.00 0.00 H new ATOM 733 N LYS A 50 4.172 1.746 3.204 1.00 0.00 N ATOM 734 CA LYS A 50 4.046 1.901 1.782 1.00 0.00 C ATOM 735 C LYS A 50 3.713 3.359 1.418 1.00 0.00 C ATOM 736 O LYS A 50 4.289 3.868 0.463 1.00 0.00 O ATOM 737 CB LYS A 50 2.969 0.880 1.397 1.00 0.00 C ATOM 738 CG LYS A 50 3.344 -0.600 1.356 1.00 0.00 C ATOM 739 CD LYS A 50 4.489 -0.983 0.431 1.00 0.00 C ATOM 740 CE LYS A 50 4.499 -2.471 0.054 1.00 0.00 C ATOM 741 NZ LYS A 50 3.722 -3.393 0.913 1.00 0.00 N ATOM 0 H LYS A 50 3.477 1.112 3.598 1.00 0.00 H new ATOM 0 HA LYS A 50 4.964 1.709 1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.141 0.992 2.097 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.592 1.153 0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.602 -0.915 2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.462 -1.168 1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.426 -0.386 -0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.434 -0.732 0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.125 -2.563 -0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.535 -2.810 0.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.007 -4.374 0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.905 -3.173 1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.707 -3.281 0.714 1.00 0.00 H new ATOM 755 N VAL A 51 2.872 4.065 2.179 1.00 0.00 N ATOM 756 CA VAL A 51 2.666 5.516 2.055 1.00 0.00 C ATOM 757 C VAL A 51 3.967 6.272 2.370 1.00 0.00 C ATOM 758 O VAL A 51 4.402 7.112 1.585 1.00 0.00 O ATOM 759 CB VAL A 51 1.504 5.939 2.984 1.00 0.00 C ATOM 760 CG1 VAL A 51 1.301 7.449 3.049 1.00 0.00 C ATOM 761 CG2 VAL A 51 0.152 5.365 2.542 1.00 0.00 C ATOM 0 H VAL A 51 2.304 3.640 2.912 1.00 0.00 H new ATOM 0 HA VAL A 51 2.395 5.771 1.030 1.00 0.00 H new ATOM 0 HB VAL A 51 1.806 5.546 3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.471 7.676 3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.209 7.922 3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.078 7.829 2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.626 5.695 3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.081 5.716 1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.201 4.276 2.544 1.00 0.00 H new ATOM 771 N LYS A 52 4.583 5.998 3.521 1.00 0.00 N ATOM 772 CA LYS A 52 5.738 6.714 4.085 1.00 0.00 C ATOM 773 C LYS A 52 6.974 6.603 3.193 1.00 0.00 C ATOM 774 O LYS A 52 7.802 7.515 3.182 1.00 0.00 O ATOM 775 CB LYS A 52 5.949 6.188 5.521 1.00 0.00 C ATOM 776 CG LYS A 52 4.805 6.718 6.422 1.00 0.00 C ATOM 777 CD LYS A 52 4.273 5.720 7.461 1.00 0.00 C ATOM 778 CE LYS A 52 4.550 5.975 8.946 1.00 0.00 C ATOM 779 NZ LYS A 52 3.492 6.725 9.653 1.00 0.00 N ATOM 0 H LYS A 52 4.277 5.231 4.120 1.00 0.00 H new ATOM 0 HA LYS A 52 5.547 7.786 4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.959 5.098 5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.915 6.517 5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.158 7.607 6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.977 7.030 5.785 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.192 5.658 7.334 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.680 4.740 7.214 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.691 5.016 9.445 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.488 6.523 9.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.927 7.381 10.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.929 7.263 8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.875 6.059 10.160 1.00 0.00 H new ATOM 793 N GLU A 53 7.025 5.533 2.411 1.00 0.00 N ATOM 794 CA GLU A 53 7.910 5.225 1.309 1.00 0.00 C ATOM 795 C GLU A 53 7.521 6.049 0.077 1.00 0.00 C ATOM 796 O GLU A 53 8.303 6.860 -0.432 1.00 0.00 O ATOM 797 CB GLU A 53 7.752 3.726 1.036 1.00 0.00 C ATOM 798 CG GLU A 53 8.436 2.822 2.053 1.00 0.00 C ATOM 799 CD GLU A 53 9.945 2.649 1.902 1.00 0.00 C ATOM 800 OE1 GLU A 53 10.374 1.737 1.154 1.00 0.00 O ATOM 801 OE2 GLU A 53 10.691 3.339 2.638 1.00 0.00 O ATOM 0 H GLU A 53 6.363 4.771 2.558 1.00 0.00 H new ATOM 0 HA GLU A 53 8.946 5.469 1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.689 3.484 1.011 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.152 3.506 0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.235 3.216 3.049 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.972 1.837 2.000 1.00 0.00 H new ATOM 808 N ARG A 54 6.303 5.830 -0.439 1.00 0.00 N ATOM 809 CA ARG A 54 5.813 6.441 -1.677 1.00 0.00 C ATOM 810 C ARG A 54 5.863 7.961 -1.632 1.00 0.00 C ATOM 811 O ARG A 54 5.969 8.572 -2.693 1.00 0.00 O ATOM 812 CB ARG A 54 4.375 5.985 -1.958 1.00 0.00 C ATOM 813 CG ARG A 54 4.260 4.548 -2.498 1.00 0.00 C ATOM 814 CD ARG A 54 4.024 4.474 -4.011 1.00 0.00 C ATOM 815 NE ARG A 54 5.259 4.338 -4.797 1.00 0.00 N ATOM 816 CZ ARG A 54 5.678 3.246 -5.444 1.00 0.00 C ATOM 817 NH1 ARG A 54 5.006 2.100 -5.385 1.00 0.00 N ATOM 818 NH2 ARG A 54 6.807 3.327 -6.145 1.00 0.00 N ATOM 0 H ARG A 54 5.621 5.212 0.002 1.00 0.00 H new ATOM 0 HA ARG A 54 6.474 6.111 -2.479 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.795 6.062 -1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.924 6.668 -2.677 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.173 4.004 -2.255 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.441 4.042 -1.987 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.372 3.628 -4.227 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.497 5.373 -4.332 1.00 0.00 H new ATOM 0 HE ARG A 54 5.858 5.162 -4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.148 2.039 -4.836 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.348 1.282 -5.889 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.326 4.205 -6.177 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.153 2.511 -6.650 1.00 0.00 H new ATOM 832 N LEU A 55 5.835 8.552 -0.438 1.00 0.00 N ATOM 833 CA LEU A 55 5.975 9.977 -0.161 1.00 0.00 C ATOM 834 C LEU A 55 7.277 10.591 -0.691 1.00 0.00 C ATOM 835 O LEU A 55 7.402 11.818 -0.689 1.00 0.00 O ATOM 836 CB LEU A 55 5.844 10.184 1.358 1.00 0.00 C ATOM 837 CG LEU A 55 4.421 10.587 1.772 1.00 0.00 C ATOM 838 CD1 LEU A 55 4.233 10.391 3.270 1.00 0.00 C ATOM 839 CD2 LEU A 55 4.195 12.071 1.455 1.00 0.00 C ATOM 0 H LEU A 55 5.705 8.010 0.416 1.00 0.00 H new ATOM 0 HA LEU A 55 5.184 10.501 -0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.123 9.265 1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.545 10.954 1.679 1.00 0.00 H new ATOM 0 HG LEU A 55 3.713 9.965 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.220 10.680 3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.394 9.343 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.950 11.009 3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.185 12.356 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.917 12.675 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.322 12.238 0.385 1.00 0.00 H new ATOM 851 N GLY A 56 8.215 9.783 -1.191 1.00 0.00 N ATOM 852 CA GLY A 56 9.400 10.238 -1.906 1.00 0.00 C ATOM 853 C GLY A 56 10.707 9.807 -1.255 1.00 0.00 C ATOM 854 O GLY A 56 11.775 10.097 -1.794 1.00 0.00 O ATOM 0 H GLY A 56 8.166 8.768 -1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.368 9.855 -2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.378 11.326 -1.973 1.00 0.00 H new ATOM 858 N THR A 57 10.658 9.054 -0.156 1.00 0.00 N ATOM 859 CA THR A 57 11.846 8.497 0.497 1.00 0.00 C ATOM 860 C THR A 57 12.446 7.340 -0.323 1.00 0.00 C ATOM 861 O THR A 57 13.508 6.814 0.021 1.00 0.00 O ATOM 862 CB THR A 57 11.464 8.040 1.915 1.00 0.00 C ATOM 863 OG1 THR A 57 10.242 7.351 1.845 1.00 0.00 O ATOM 864 CG2 THR A 57 11.310 9.210 2.887 1.00 0.00 C ATOM 0 H THR A 57 9.785 8.810 0.312 1.00 0.00 H new ATOM 0 HA THR A 57 12.616 9.266 0.562 1.00 0.00 H new ATOM 0 HB THR A 57 12.267 7.404 2.288 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.624 7.712 2.515 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.040 8.831 3.873 1.00 0.00 H new ATOM 0 HG22 THR A 57 12.252 9.755 2.953 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.528 9.880 2.529 1.00 0.00 H new ATOM 872 N LEU A 58 11.769 6.931 -1.398 1.00 0.00 N ATOM 873 CA LEU A 58 12.203 5.906 -2.333 1.00 0.00 C ATOM 874 C LEU A 58 13.218 6.494 -3.304 1.00 0.00 C ATOM 875 O LEU A 58 13.059 7.624 -3.782 1.00 0.00 O ATOM 876 CB LEU A 58 10.982 5.366 -3.089 1.00 0.00 C ATOM 877 CG LEU A 58 10.064 4.564 -2.150 1.00 0.00 C ATOM 878 CD1 LEU A 58 8.659 4.437 -2.734 1.00 0.00 C ATOM 879 CD2 LEU A 58 10.608 3.164 -1.899 1.00 0.00 C ATOM 0 H LEU A 58 10.863 7.327 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 58 12.677 5.087 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.426 6.194 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.311 4.731 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 58 10.026 5.111 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.031 3.866 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.232 5.430 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.709 3.924 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.934 2.626 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.685 2.629 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.594 3.234 -1.440 1.00 0.00 H new ATOM 891 N LYS A 59 14.240 5.697 -3.608 1.00 0.00 N ATOM 892 CA LYS A 59 15.416 6.036 -4.413 1.00 0.00 C ATOM 893 C LYS A 59 15.780 4.939 -5.398 1.00 0.00 C ATOM 894 O LYS A 59 16.727 5.129 -6.154 1.00 0.00 O ATOM 895 CB LYS A 59 16.601 6.313 -3.469 1.00 0.00 C ATOM 896 CG LYS A 59 16.633 7.757 -2.968 1.00 0.00 C ATOM 897 CD LYS A 59 17.350 8.703 -3.938 1.00 0.00 C ATOM 898 CE LYS A 59 17.391 10.116 -3.344 1.00 0.00 C ATOM 899 NZ LYS A 59 18.254 11.017 -4.133 1.00 0.00 N ATOM 0 H LYS A 59 14.273 4.733 -3.277 1.00 0.00 H new ATOM 0 HA LYS A 59 15.180 6.922 -5.002 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.545 5.638 -2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 59 17.533 6.093 -3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.612 8.107 -2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.131 7.790 -1.999 1.00 0.00 H new ATOM 0 HD2 LYS A 59 18.363 8.347 -4.126 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.833 8.716 -4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.381 10.523 -3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.756 10.069 -2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 18.256 11.963 -3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 19.224 10.642 -4.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.891 11.082 -5.105 1.00 0.00 H new ATOM 913 N ASN A 60 15.045 3.830 -5.453 1.00 0.00 N ATOM 914 CA ASN A 60 15.192 2.801 -6.475 1.00 0.00 C ATOM 915 C ASN A 60 14.062 2.959 -7.497 1.00 0.00 C ATOM 916 O ASN A 60 12.978 2.395 -7.298 1.00 0.00 O ATOM 917 CB ASN A 60 15.213 1.420 -5.813 1.00 0.00 C ATOM 918 CG ASN A 60 15.101 0.274 -6.810 1.00 0.00 C ATOM 919 OD1 ASN A 60 15.380 0.417 -7.998 1.00 0.00 O ATOM 920 ND2 ASN A 60 14.648 -0.877 -6.354 1.00 0.00 N ATOM 0 H ASN A 60 14.315 3.619 -4.772 1.00 0.00 H new ATOM 0 HA ASN A 60 16.136 2.907 -7.009 1.00 0.00 H new ATOM 0 HB2 ASN A 60 16.137 1.310 -5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.392 1.354 -5.100 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.525 -1.665 -6.990 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.421 -0.980 -5.365 1.00 0.00 H new ATOM 927 N PRO A 61 14.232 3.779 -8.550 1.00 0.00 N ATOM 928 CA PRO A 61 13.282 3.878 -9.651 1.00 0.00 C ATOM 929 C PRO A 61 13.378 2.651 -10.568 1.00 0.00 C ATOM 930 O PRO A 61 14.474 2.105 -10.739 1.00 0.00 O ATOM 931 CB PRO A 61 13.681 5.152 -10.401 1.00 0.00 C ATOM 932 CG PRO A 61 15.181 5.283 -10.151 1.00 0.00 C ATOM 933 CD PRO A 61 15.339 4.703 -8.755 1.00 0.00 C ATOM 0 HA PRO A 61 12.251 3.915 -9.300 1.00 0.00 H new ATOM 0 HB2 PRO A 61 13.461 5.072 -11.466 1.00 0.00 H new ATOM 0 HB3 PRO A 61 13.138 6.020 -10.027 1.00 0.00 H new ATOM 0 HG2 PRO A 61 15.764 4.730 -10.888 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.510 6.321 -10.198 1.00 0.00 H new ATOM 0 HD2 PRO A 61 16.295 4.188 -8.657 1.00 0.00 H new ATOM 0 HD3 PRO A 61 15.325 5.494 -8.005 1.00 0.00 H new ATOM 941 N PRO A 62 12.276 2.240 -11.216 1.00 0.00 N ATOM 942 CA PRO A 62 12.344 1.264 -12.290 1.00 0.00 C ATOM 943 C PRO A 62 12.993 1.909 -13.520 1.00 0.00 C ATOM 944 O PRO A 62 12.890 3.130 -13.710 1.00 0.00 O ATOM 945 CB PRO A 62 10.893 0.861 -12.559 1.00 0.00 C ATOM 946 CG PRO A 62 10.109 2.126 -12.207 1.00 0.00 C ATOM 947 CD PRO A 62 10.927 2.774 -11.089 1.00 0.00 C ATOM 0 HA PRO A 62 12.946 0.391 -12.038 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.742 0.570 -13.598 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.589 0.014 -11.943 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.015 2.789 -13.067 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.098 1.889 -11.875 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.927 3.860 -11.185 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.505 2.540 -10.111 1.00 0.00 H new ATOM 955 N LYS A 63 13.598 1.100 -14.398 1.00 0.00 N ATOM 956 CA LYS A 63 14.082 1.565 -15.703 1.00 0.00 C ATOM 957 C LYS A 63 13.436 0.751 -16.810 1.00 0.00 C ATOM 958 O LYS A 63 12.905 1.337 -17.754 1.00 0.00 O ATOM 959 CB LYS A 63 15.622 1.560 -15.766 1.00 0.00 C ATOM 960 CG LYS A 63 16.177 2.645 -16.709 1.00 0.00 C ATOM 961 CD LYS A 63 16.485 3.985 -16.014 1.00 0.00 C ATOM 962 CE LYS A 63 15.316 4.618 -15.248 1.00 0.00 C ATOM 963 NZ LYS A 63 14.384 5.359 -16.121 1.00 0.00 N ATOM 0 H LYS A 63 13.765 0.109 -14.225 1.00 0.00 H new ATOM 0 HA LYS A 63 13.786 2.604 -15.848 1.00 0.00 H new ATOM 0 HB2 LYS A 63 16.024 1.713 -14.764 1.00 0.00 H new ATOM 0 HB3 LYS A 63 15.966 0.581 -16.101 1.00 0.00 H new ATOM 0 HG2 LYS A 63 17.088 2.273 -17.177 1.00 0.00 H new ATOM 0 HG3 LYS A 63 15.457 2.820 -17.508 1.00 0.00 H new ATOM 0 HD2 LYS A 63 17.311 3.832 -15.319 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.829 4.694 -16.767 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.768 3.836 -14.723 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.710 5.295 -14.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.617 5.763 -15.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.895 6.125 -16.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.982 4.712 -16.829 1.00 0.00 H new ATOM 977 N LYS A 64 13.384 -0.571 -16.663 1.00 0.00 N ATOM 978 CA LYS A 64 12.428 -1.416 -17.362 1.00 0.00 C ATOM 979 C LYS A 64 11.774 -2.317 -16.319 1.00 0.00 C ATOM 980 O LYS A 64 12.279 -2.432 -15.199 1.00 0.00 O ATOM 981 CB LYS A 64 13.121 -2.222 -18.475 1.00 0.00 C ATOM 982 CG LYS A 64 13.394 -1.421 -19.763 1.00 0.00 C ATOM 983 CD LYS A 64 14.786 -0.779 -19.860 1.00 0.00 C ATOM 984 CE LYS A 64 14.838 0.047 -21.154 1.00 0.00 C ATOM 985 NZ LYS A 64 16.139 0.712 -21.364 1.00 0.00 N ATOM 0 H LYS A 64 14.013 -1.088 -16.048 1.00 0.00 H new ATOM 0 HA LYS A 64 11.665 -0.816 -17.858 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.067 -2.607 -18.093 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.502 -3.085 -18.722 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.258 -2.084 -20.618 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.644 -0.635 -19.847 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.974 -0.144 -18.994 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.560 -1.546 -19.866 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.628 -0.604 -22.003 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.051 0.801 -21.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.113 1.253 -22.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.331 1.357 -20.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.891 -0.005 -21.418 1.00 0.00 H new ATOM 999 N LYS A 65 10.661 -2.953 -16.681 1.00 0.00 N ATOM 1000 CA LYS A 65 9.974 -3.974 -15.890 1.00 0.00 C ATOM 1001 C LYS A 65 9.605 -5.138 -16.808 1.00 0.00 C ATOM 1002 O LYS A 65 10.009 -5.138 -17.973 1.00 0.00 O ATOM 1003 CB LYS A 65 8.763 -3.363 -15.156 1.00 0.00 C ATOM 1004 CG LYS A 65 7.591 -2.980 -16.077 1.00 0.00 C ATOM 1005 CD LYS A 65 6.452 -2.340 -15.278 1.00 0.00 C ATOM 1006 CE LYS A 65 5.239 -2.166 -16.196 1.00 0.00 C ATOM 1007 NZ LYS A 65 4.105 -1.553 -15.485 1.00 0.00 N ATOM 0 H LYS A 65 10.194 -2.764 -17.568 1.00 0.00 H new ATOM 0 HA LYS A 65 10.627 -4.364 -15.109 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.407 -4.075 -14.412 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.091 -2.475 -14.616 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.937 -2.286 -16.843 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.224 -3.867 -16.593 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.192 -2.966 -14.425 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.766 -1.375 -14.881 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.513 -1.545 -17.049 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.939 -3.136 -16.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.301 -1.450 -16.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.828 -2.159 -14.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.384 -0.617 -15.129 1.00 0.00 H new ATOM 1021 N MET A 66 8.856 -6.120 -16.308 1.00 0.00 N ATOM 1022 CA MET A 66 8.113 -7.099 -17.103 1.00 0.00 C ATOM 1023 C MET A 66 6.761 -7.342 -16.429 1.00 0.00 C ATOM 1024 O MET A 66 6.601 -7.045 -15.239 1.00 0.00 O ATOM 1025 CB MET A 66 8.868 -8.441 -17.182 1.00 0.00 C ATOM 1026 CG MET A 66 10.245 -8.405 -17.857 1.00 0.00 C ATOM 1027 SD MET A 66 10.334 -8.656 -19.659 1.00 0.00 S ATOM 1028 CE MET A 66 9.166 -7.442 -20.327 1.00 0.00 C ATOM 0 H MET A 66 8.746 -6.261 -15.304 1.00 0.00 H new ATOM 0 HA MET A 66 7.990 -6.709 -18.113 1.00 0.00 H new ATOM 0 HB2 MET A 66 8.993 -8.824 -16.169 1.00 0.00 H new ATOM 0 HB3 MET A 66 8.242 -9.155 -17.718 1.00 0.00 H new ATOM 0 HG2 MET A 66 10.699 -7.440 -17.634 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.866 -9.166 -17.385 1.00 0.00 H new ATOM 0 HE1 MET A 66 9.275 -7.390 -21.410 1.00 0.00 H new ATOM 0 HE2 MET A 66 8.148 -7.742 -20.079 1.00 0.00 H new ATOM 0 HE3 MET A 66 9.371 -6.463 -19.894 1.00 0.00 H new ATOM 1038 N LYS A 67 5.802 -7.929 -17.146 1.00 0.00 N ATOM 1039 CA LYS A 67 4.652 -8.577 -16.527 1.00 0.00 C ATOM 1040 C LYS A 67 5.172 -9.859 -15.886 1.00 0.00 C ATOM 1041 O LYS A 67 5.560 -10.767 -16.624 1.00 0.00 O ATOM 1042 CB LYS A 67 3.597 -8.876 -17.600 1.00 0.00 C ATOM 1043 CG LYS A 67 2.312 -9.530 -17.070 1.00 0.00 C ATOM 1044 CD LYS A 67 1.311 -8.478 -16.591 1.00 0.00 C ATOM 1045 CE LYS A 67 0.105 -9.146 -15.932 1.00 0.00 C ATOM 1046 NZ LYS A 67 -0.997 -8.193 -15.717 1.00 0.00 N ATOM 0 H LYS A 67 5.803 -7.967 -18.165 1.00 0.00 H new ATOM 0 HA LYS A 67 4.179 -7.945 -15.775 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.334 -7.945 -18.102 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.038 -9.530 -18.352 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.859 -10.136 -17.855 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.556 -10.204 -16.249 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.793 -7.805 -15.882 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.982 -7.871 -17.434 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.242 -9.968 -16.558 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.405 -9.577 -14.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.797 -8.683 -15.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.673 -7.421 -15.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.300 -7.801 -16.631 1.00 0.00 H new ATOM 1060 N LEU A 68 5.189 -9.947 -14.556 1.00 0.00 N ATOM 1061 CA LEU A 68 5.652 -11.150 -13.860 1.00 0.00 C ATOM 1062 C LEU A 68 4.820 -12.372 -14.263 1.00 0.00 C ATOM 1063 O LEU A 68 5.379 -13.443 -14.478 1.00 0.00 O ATOM 1064 CB LEU A 68 5.690 -10.926 -12.339 1.00 0.00 C ATOM 1065 CG LEU A 68 4.310 -10.849 -11.645 1.00 0.00 C ATOM 1066 CD1 LEU A 68 3.916 -12.184 -11.003 1.00 0.00 C ATOM 1067 CD2 LEU A 68 4.338 -9.779 -10.561 1.00 0.00 C ATOM 0 H LEU A 68 4.886 -9.196 -13.936 1.00 0.00 H new ATOM 0 HA LEU A 68 6.677 -11.358 -14.168 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.262 -11.735 -11.884 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.231 -10.001 -12.138 1.00 0.00 H new ATOM 0 HG LEU A 68 3.575 -10.603 -12.412 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.940 -12.085 -10.527 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.869 -12.957 -11.770 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.658 -12.461 -10.255 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.364 -9.728 -10.075 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.100 -10.029 -9.822 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.571 -8.813 -11.009 1.00 0.00 H new ATOM 1079 N MET A 69 3.505 -12.179 -14.434 1.00 0.00 N ATOM 1080 CA MET A 69 2.508 -13.100 -14.977 1.00 0.00 C ATOM 1081 C MET A 69 2.244 -14.334 -14.100 1.00 0.00 C ATOM 1082 O MET A 69 1.093 -14.566 -13.718 1.00 0.00 O ATOM 1083 CB MET A 69 2.871 -13.446 -16.436 1.00 0.00 C ATOM 1084 CG MET A 69 1.706 -14.044 -17.229 1.00 0.00 C ATOM 1085 SD MET A 69 1.301 -15.771 -16.856 1.00 0.00 S ATOM 1086 CE MET A 69 -0.132 -15.932 -17.941 1.00 0.00 C ATOM 0 H MET A 69 3.077 -11.291 -14.170 1.00 0.00 H new ATOM 0 HA MET A 69 1.546 -12.587 -14.972 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.218 -12.544 -16.940 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.702 -14.152 -16.438 1.00 0.00 H new ATOM 0 HG2 MET A 69 0.819 -13.436 -17.050 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.937 -13.966 -18.291 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.538 -16.940 -17.860 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.893 -15.209 -17.648 1.00 0.00 H new ATOM 0 HE3 MET A 69 0.169 -15.744 -18.972 1.00 0.00 H new ATOM 1096 N ARG A 70 3.274 -15.141 -13.845 1.00 0.00 N ATOM 1097 CA ARG A 70 3.176 -16.467 -13.248 1.00 0.00 C ATOM 1098 C ARG A 70 2.656 -16.384 -11.827 1.00 0.00 C ATOM 1099 O ARG A 70 3.176 -15.569 -11.038 1.00 0.00 O ATOM 1100 CB ARG A 70 4.557 -17.145 -13.298 1.00 0.00 C ATOM 1101 CG ARG A 70 4.430 -18.651 -13.035 1.00 0.00 C ATOM 1102 CD ARG A 70 5.797 -19.336 -13.011 1.00 0.00 C ATOM 1103 NE ARG A 70 5.626 -20.791 -13.040 1.00 0.00 N ATOM 1104 CZ ARG A 70 5.781 -21.602 -14.090 1.00 0.00 C ATOM 1105 NH1 ARG A 70 6.368 -21.177 -15.201 1.00 0.00 N ATOM 1106 NH2 ARG A 70 5.321 -22.841 -14.005 1.00 0.00 N ATOM 0 H ARG A 70 4.236 -14.876 -14.058 1.00 0.00 H new ATOM 0 HA ARG A 70 2.465 -17.067 -13.815 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.015 -16.978 -14.273 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.216 -16.695 -12.555 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.924 -18.813 -12.083 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.809 -19.105 -13.807 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.390 -19.014 -13.867 1.00 0.00 H new ATOM 0 HD3 ARG A 70 6.345 -19.043 -12.115 1.00 0.00 H new ATOM 0 HE ARG A 70 5.359 -21.234 -12.161 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.709 -20.218 -15.263 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.478 -21.810 -15.994 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.861 -23.157 -13.151 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.427 -23.480 -14.793 1.00 0.00 H new TER 1120 ARG A 70