USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 794 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 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0196 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.683 F(o=-3!,f=-0.68) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.955 USER MOD Single : A 18 GLN :FLIP amide:sc= -4.28 F(o=-8.3!,f=-4.3) USER MOD Single : A 20 SER OG : rot 180:sc= -0.161 USER MOD Single : A 23 GLN : amide:sc= -6.4! C(o=-6.4!,f=-6.4!) USER MOD Single : A 25 SER OG : rot 150:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot -16:sc= 0.15 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -73:sc= 0.00439! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0148 USER MOD Single : A 50 CYS SG : rot 52:sc= 0.107 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -109:sc= 0.306 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0298) USER MOD Single : A 67 SER OG : rot 180:sc= -1.39 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0234 USER MOD Single : A 70 GLN : amide:sc= -0.0849 X(o=-0.085,f=-0.033) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -144:sc= -0.281 (180deg=-1.59) USER MOD Single : A 78 HIS : no HD1:sc= -0.0732 X(o=-0.073,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -7.29! C(o=-7.3!,f=-6.9!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.734 5.438 12.411 1.00 0.00 N ATOM 2 CA GLY A 1 -12.950 6.656 12.328 1.00 0.00 C ATOM 3 C GLY A 1 -12.416 6.908 10.932 1.00 0.00 C ATOM 4 O GLY A 1 -11.773 6.041 10.340 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.076 5.311 13.385 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.546 5.503 11.765 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.143 4.626 12.143 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.565 7.502 12.637 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.116 6.596 13.027 1.00 0.00 H new ATOM 8 N SER A 2 -12.686 8.097 10.402 1.00 0.00 N ATOM 9 CA SER A 2 -12.233 8.458 9.064 1.00 0.00 C ATOM 10 C SER A 2 -11.673 9.878 9.044 1.00 0.00 C ATOM 11 O SER A 2 -10.527 10.099 8.655 1.00 0.00 O ATOM 12 CB SER A 2 -13.384 8.338 8.063 1.00 0.00 C ATOM 13 OG SER A 2 -12.898 8.098 6.754 1.00 0.00 O ATOM 0 H SER A 2 -13.216 8.826 10.879 1.00 0.00 H new ATOM 0 HA SER A 2 -11.439 7.769 8.778 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.047 7.527 8.362 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.975 9.254 8.073 1.00 0.00 H new ATOM 0 HG SER A 2 -13.653 8.024 6.133 1.00 0.00 H new ATOM 19 N SER A 3 -12.492 10.835 9.468 1.00 0.00 N ATOM 20 CA SER A 3 -12.081 12.234 9.496 1.00 0.00 C ATOM 21 C SER A 3 -10.775 12.402 10.267 1.00 0.00 C ATOM 22 O SER A 3 -10.501 11.664 11.213 1.00 0.00 O ATOM 23 CB SER A 3 -13.175 13.096 10.130 1.00 0.00 C ATOM 24 OG SER A 3 -13.735 13.988 9.181 1.00 0.00 O ATOM 0 H SER A 3 -13.443 10.668 9.797 1.00 0.00 H new ATOM 0 HA SER A 3 -11.920 12.560 8.468 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.957 12.455 10.537 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.759 13.661 10.964 1.00 0.00 H new ATOM 0 HG SER A 3 -14.433 14.526 9.610 1.00 0.00 H new ATOM 30 N GLY A 4 -9.974 13.380 9.856 1.00 0.00 N ATOM 31 CA GLY A 4 -8.707 13.628 10.519 1.00 0.00 C ATOM 32 C GLY A 4 -7.566 13.813 9.538 1.00 0.00 C ATOM 33 O GLY A 4 -6.842 12.865 9.230 1.00 0.00 O ATOM 0 H GLY A 4 -10.180 14.005 9.076 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.794 14.518 11.142 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.479 12.795 11.184 1.00 0.00 H new ATOM 37 N SER A 5 -7.406 15.036 9.043 1.00 0.00 N ATOM 38 CA SER A 5 -6.348 15.342 8.085 1.00 0.00 C ATOM 39 C SER A 5 -5.517 16.531 8.556 1.00 0.00 C ATOM 40 O SER A 5 -6.028 17.441 9.209 1.00 0.00 O ATOM 41 CB SER A 5 -6.948 15.635 6.709 1.00 0.00 C ATOM 42 OG SER A 5 -7.129 14.442 5.966 1.00 0.00 O ATOM 0 H SER A 5 -7.995 15.832 9.289 1.00 0.00 H new ATOM 0 HA SER A 5 -5.695 14.473 8.010 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.906 16.142 6.827 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.294 16.313 6.161 1.00 0.00 H new ATOM 0 HG SER A 5 -7.515 14.657 5.091 1.00 0.00 H new ATOM 48 N SER A 6 -4.231 16.516 8.219 1.00 0.00 N ATOM 49 CA SER A 6 -3.326 17.591 8.608 1.00 0.00 C ATOM 50 C SER A 6 -1.909 17.314 8.116 1.00 0.00 C ATOM 51 O SER A 6 -1.573 16.185 7.762 1.00 0.00 O ATOM 52 CB SER A 6 -3.326 17.759 10.130 1.00 0.00 C ATOM 53 OG SER A 6 -3.390 19.128 10.491 1.00 0.00 O ATOM 0 H SER A 6 -3.793 15.771 7.677 1.00 0.00 H new ATOM 0 HA SER A 6 -3.678 18.514 8.147 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.175 17.227 10.558 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.425 17.311 10.549 1.00 0.00 H new ATOM 0 HG SER A 6 -3.390 19.209 11.468 1.00 0.00 H new ATOM 59 N GLY A 7 -1.082 18.355 8.098 1.00 0.00 N ATOM 60 CA GLY A 7 0.289 18.204 7.646 1.00 0.00 C ATOM 61 C GLY A 7 0.947 19.535 7.336 1.00 0.00 C ATOM 62 O GLY A 7 0.512 20.254 6.436 1.00 0.00 O ATOM 0 H GLY A 7 -1.337 19.299 8.388 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.866 17.687 8.412 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.308 17.577 6.755 1.00 0.00 H new ATOM 66 N ILE A 8 1.995 19.862 8.083 1.00 0.00 N ATOM 67 CA ILE A 8 2.714 21.115 7.883 1.00 0.00 C ATOM 68 C ILE A 8 4.207 20.868 7.693 1.00 0.00 C ATOM 69 O ILE A 8 4.748 19.871 8.170 1.00 0.00 O ATOM 70 CB ILE A 8 2.511 22.075 9.070 1.00 0.00 C ATOM 71 CG1 ILE A 8 3.137 21.493 10.339 1.00 0.00 C ATOM 72 CG2 ILE A 8 1.029 22.350 9.281 1.00 0.00 C ATOM 73 CD1 ILE A 8 4.464 22.119 10.701 1.00 0.00 C ATOM 0 H ILE A 8 2.366 19.278 8.832 1.00 0.00 H new ATOM 0 HA ILE A 8 2.307 21.573 6.982 1.00 0.00 H new ATOM 0 HB ILE A 8 3.007 23.019 8.844 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.444 21.625 11.170 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.275 20.420 10.207 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.901 23.030 10.123 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.612 22.804 8.382 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.511 21.414 9.489 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.848 21.657 11.611 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.173 21.964 9.888 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.329 23.188 10.866 1.00 0.00 H new ATOM 85 N LEU A 9 4.866 21.784 6.992 1.00 0.00 N ATOM 86 CA LEU A 9 6.299 21.668 6.740 1.00 0.00 C ATOM 87 C LEU A 9 6.904 23.027 6.402 1.00 0.00 C ATOM 88 O LEU A 9 6.227 24.053 6.466 1.00 0.00 O ATOM 89 CB LEU A 9 6.556 20.685 5.597 1.00 0.00 C ATOM 90 CG LEU A 9 5.643 20.816 4.378 1.00 0.00 C ATOM 91 CD1 LEU A 9 4.312 20.126 4.631 1.00 0.00 C ATOM 92 CD2 LEU A 9 5.428 22.282 4.030 1.00 0.00 C ATOM 0 H LEU A 9 4.432 22.614 6.588 1.00 0.00 H new ATOM 0 HA LEU A 9 6.774 21.295 7.647 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.588 20.805 5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.462 19.672 5.988 1.00 0.00 H new ATOM 0 HG LEU A 9 6.126 20.328 3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.675 20.230 3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.483 19.068 4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.822 20.584 5.490 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.776 22.358 3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.966 22.793 4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.388 22.747 3.805 1.00 0.00 H new ATOM 104 N THR A 10 8.183 23.027 6.040 1.00 0.00 N ATOM 105 CA THR A 10 8.880 24.258 5.691 1.00 0.00 C ATOM 106 C THR A 10 8.909 24.463 4.181 1.00 0.00 C ATOM 107 O THR A 10 9.114 25.578 3.702 1.00 0.00 O ATOM 108 CB THR A 10 10.324 24.257 6.226 1.00 0.00 C ATOM 109 OG1 THR A 10 10.865 22.932 6.177 1.00 0.00 O ATOM 110 CG2 THR A 10 10.373 24.778 7.655 1.00 0.00 C ATOM 0 H THR A 10 8.758 22.186 5.981 1.00 0.00 H new ATOM 0 HA THR A 10 8.330 25.076 6.156 1.00 0.00 H new ATOM 0 HB THR A 10 10.921 24.916 5.595 1.00 0.00 H new ATOM 0 HG1 THR A 10 11.784 22.941 6.517 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.403 24.768 8.011 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.989 25.798 7.684 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.762 24.142 8.295 1.00 0.00 H new ATOM 118 N GLU A 11 8.701 23.382 3.437 1.00 0.00 N ATOM 119 CA GLU A 11 8.706 23.446 1.980 1.00 0.00 C ATOM 120 C GLU A 11 8.831 22.051 1.375 1.00 0.00 C ATOM 121 O GLU A 11 8.419 21.816 0.239 1.00 0.00 O ATOM 122 CB GLU A 11 9.852 24.332 1.488 1.00 0.00 C ATOM 123 CG GLU A 11 11.136 24.164 2.284 1.00 0.00 C ATOM 124 CD GLU A 11 11.718 25.489 2.738 1.00 0.00 C ATOM 125 OE1 GLU A 11 11.452 26.513 2.076 1.00 0.00 O ATOM 126 OE2 GLU A 11 12.442 25.500 3.756 1.00 0.00 O ATOM 0 H GLU A 11 8.527 22.452 3.818 1.00 0.00 H new ATOM 0 HA GLU A 11 7.759 23.880 1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.051 24.105 0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.539 25.375 1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.940 23.540 3.156 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.871 23.638 1.674 1.00 0.00 H new ATOM 133 N ASN A 12 9.406 21.129 2.140 1.00 0.00 N ATOM 134 CA ASN A 12 9.588 19.758 1.680 1.00 0.00 C ATOM 135 C ASN A 12 10.156 18.881 2.792 1.00 0.00 C ATOM 136 O ASN A 12 10.841 17.892 2.530 1.00 0.00 O ATOM 137 CB ASN A 12 10.517 19.725 0.464 1.00 0.00 C ATOM 138 CG ASN A 12 11.978 19.852 0.850 1.00 0.00 C ATOM 139 OD1 ASN A 12 12.239 20.522 1.966 1.00 0.00 O flip ATOM 140 ND2 ASN A 12 12.861 19.354 0.152 1.00 0.00 N flip ATOM 0 H ASN A 12 9.754 21.307 3.082 1.00 0.00 H new ATOM 0 HA ASN A 12 8.612 19.365 1.395 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.367 18.792 -0.079 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.251 20.535 -0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.614 18.847 -0.698 1.00 0.00 H new ATOM 0 HD22 ASN A 12 13.840 19.448 0.424 1.00 0.00 H new ATOM 147 N THR A 13 9.868 19.252 4.036 1.00 0.00 N ATOM 148 CA THR A 13 10.349 18.500 5.188 1.00 0.00 C ATOM 149 C THR A 13 10.008 17.020 5.061 1.00 0.00 C ATOM 150 O THR A 13 8.933 16.643 4.594 1.00 0.00 O ATOM 151 CB THR A 13 9.752 19.042 6.501 1.00 0.00 C ATOM 152 OG1 THR A 13 10.641 18.772 7.591 1.00 0.00 O ATOM 153 CG2 THR A 13 8.395 18.413 6.779 1.00 0.00 C ATOM 0 H THR A 13 9.304 20.069 4.271 1.00 0.00 H new ATOM 0 HA THR A 13 11.432 18.619 5.213 1.00 0.00 H new ATOM 0 HB THR A 13 9.621 20.119 6.398 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.256 19.121 8.422 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.993 18.811 7.711 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.712 18.645 5.961 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.506 17.332 6.864 1.00 0.00 H new ATOM 161 N PRO A 14 10.944 16.158 5.486 1.00 0.00 N ATOM 162 CA PRO A 14 10.764 14.704 5.432 1.00 0.00 C ATOM 163 C PRO A 14 9.719 14.212 6.425 1.00 0.00 C ATOM 164 O PRO A 14 9.372 14.912 7.376 1.00 0.00 O ATOM 165 CB PRO A 14 12.149 14.162 5.798 1.00 0.00 C ATOM 166 CG PRO A 14 12.775 15.243 6.610 1.00 0.00 C ATOM 167 CD PRO A 14 12.249 16.537 6.054 1.00 0.00 C ATOM 0 HA PRO A 14 10.406 14.373 4.457 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.074 13.234 6.365 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.738 13.945 4.907 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.518 15.138 7.664 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.862 15.202 6.542 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.145 17.295 6.830 1.00 0.00 H new ATOM 0 HD3 PRO A 14 12.914 16.948 5.294 1.00 0.00 H new ATOM 175 N VAL A 15 9.219 13.001 6.200 1.00 0.00 N ATOM 176 CA VAL A 15 8.212 12.413 7.077 1.00 0.00 C ATOM 177 C VAL A 15 8.372 10.900 7.159 1.00 0.00 C ATOM 178 O VAL A 15 8.919 10.271 6.252 1.00 0.00 O ATOM 179 CB VAL A 15 6.787 12.743 6.595 1.00 0.00 C ATOM 180 CG1 VAL A 15 5.844 12.891 7.779 1.00 0.00 C ATOM 181 CG2 VAL A 15 6.790 14.003 5.744 1.00 0.00 C ATOM 0 H VAL A 15 9.495 12.407 5.418 1.00 0.00 H new ATOM 0 HA VAL A 15 8.362 12.845 8.066 1.00 0.00 H new ATOM 0 HB VAL A 15 6.431 11.918 5.978 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.842 13.124 7.419 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.819 11.959 8.343 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.194 13.696 8.425 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.775 14.221 5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.166 14.839 6.333 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.431 13.854 4.875 1.00 0.00 H new ATOM 191 N PHE A 16 7.890 10.318 8.253 1.00 0.00 N ATOM 192 CA PHE A 16 7.980 8.876 8.455 1.00 0.00 C ATOM 193 C PHE A 16 6.660 8.319 8.982 1.00 0.00 C ATOM 194 O PHE A 16 6.285 8.563 10.128 1.00 0.00 O ATOM 195 CB PHE A 16 9.112 8.545 9.429 1.00 0.00 C ATOM 196 CG PHE A 16 9.907 7.334 9.035 1.00 0.00 C ATOM 197 CD1 PHE A 16 9.272 6.140 8.734 1.00 0.00 C ATOM 198 CD2 PHE A 16 11.290 7.388 8.968 1.00 0.00 C ATOM 199 CE1 PHE A 16 10.000 5.023 8.370 1.00 0.00 C ATOM 200 CE2 PHE A 16 12.023 6.274 8.605 1.00 0.00 C ATOM 201 CZ PHE A 16 11.378 5.089 8.307 1.00 0.00 C ATOM 0 H PHE A 16 7.433 10.823 9.013 1.00 0.00 H new ATOM 0 HA PHE A 16 8.193 8.411 7.492 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.782 9.402 9.500 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.691 8.386 10.422 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.195 6.081 8.784 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.801 8.310 9.202 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.492 4.099 8.135 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.100 6.330 8.554 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.950 4.217 8.026 1.00 0.00 H new ATOM 211 N GLU A 17 5.963 7.567 8.136 1.00 0.00 N ATOM 212 CA GLU A 17 4.685 6.976 8.516 1.00 0.00 C ATOM 213 C GLU A 17 4.716 5.460 8.347 1.00 0.00 C ATOM 214 O GLU A 17 5.544 4.924 7.610 1.00 0.00 O ATOM 215 CB GLU A 17 3.552 7.571 7.677 1.00 0.00 C ATOM 216 CG GLU A 17 2.273 7.808 8.462 1.00 0.00 C ATOM 217 CD GLU A 17 1.957 9.282 8.629 1.00 0.00 C ATOM 218 OE1 GLU A 17 2.431 9.883 9.615 1.00 0.00 O ATOM 219 OE2 GLU A 17 1.234 9.834 7.772 1.00 0.00 O ATOM 0 H GLU A 17 6.261 7.353 7.184 1.00 0.00 H new ATOM 0 HA GLU A 17 4.507 7.204 9.567 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.886 8.516 7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.338 6.902 6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.443 7.317 7.954 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.363 7.346 9.445 1.00 0.00 H new ATOM 226 N GLN A 18 3.809 4.775 9.037 1.00 0.00 N ATOM 227 CA GLN A 18 3.733 3.320 8.963 1.00 0.00 C ATOM 228 C GLN A 18 2.296 2.860 8.741 1.00 0.00 C ATOM 229 O GLN A 18 1.366 3.369 9.369 1.00 0.00 O ATOM 230 CB GLN A 18 4.289 2.695 10.245 1.00 0.00 C ATOM 231 CG GLN A 18 5.735 2.246 10.124 1.00 0.00 C ATOM 232 CD GLN A 18 6.024 0.987 10.919 1.00 0.00 C ATOM 233 OE1 GLN A 18 6.218 -0.124 10.218 1.00 0.00 O flip ATOM 234 NE2 GLN A 18 6.072 1.012 12.149 1.00 0.00 N flip ATOM 0 H GLN A 18 3.118 5.203 9.653 1.00 0.00 H new ATOM 0 HA GLN A 18 4.335 2.992 8.115 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.208 3.418 11.057 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.673 1.839 10.519 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.970 2.070 9.074 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.390 3.047 10.468 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.917 1.888 12.648 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.267 0.157 12.669 1.00 0.00 H new ATOM 243 N LEU A 19 2.122 1.897 7.843 1.00 0.00 N ATOM 244 CA LEU A 19 0.797 1.368 7.536 1.00 0.00 C ATOM 245 C LEU A 19 0.769 -0.149 7.686 1.00 0.00 C ATOM 246 O LEU A 19 1.461 -0.867 6.964 1.00 0.00 O ATOM 247 CB LEU A 19 0.386 1.760 6.116 1.00 0.00 C ATOM 248 CG LEU A 19 -0.649 2.879 6.002 1.00 0.00 C ATOM 249 CD1 LEU A 19 -0.129 4.155 6.646 1.00 0.00 C ATOM 250 CD2 LEU A 19 -1.010 3.125 4.544 1.00 0.00 C ATOM 0 H LEU A 19 2.881 1.466 7.315 1.00 0.00 H new ATOM 0 HA LEU A 19 0.088 1.798 8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.280 2.062 5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.008 0.875 5.616 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.550 2.570 6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.879 4.940 6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.079 3.972 7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.787 4.468 6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.748 3.925 4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.116 3.413 3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.425 2.214 4.113 1.00 0.00 H new ATOM 262 N SER A 20 -0.037 -0.631 8.627 1.00 0.00 N ATOM 263 CA SER A 20 -0.156 -2.064 8.872 1.00 0.00 C ATOM 264 C SER A 20 -1.105 -2.710 7.869 1.00 0.00 C ATOM 265 O SER A 20 -2.279 -2.347 7.785 1.00 0.00 O ATOM 266 CB SER A 20 -0.649 -2.319 10.297 1.00 0.00 C ATOM 267 OG SER A 20 -2.017 -2.690 10.305 1.00 0.00 O ATOM 0 H SER A 20 -0.617 -0.050 9.232 1.00 0.00 H new ATOM 0 HA SER A 20 0.830 -2.512 8.751 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.052 -3.108 10.756 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.509 -1.422 10.900 1.00 0.00 H new ATOM 0 HG SER A 20 -2.307 -2.849 11.227 1.00 0.00 H new ATOM 273 N VAL A 21 -0.590 -3.673 7.111 1.00 0.00 N ATOM 274 CA VAL A 21 -1.391 -4.373 6.113 1.00 0.00 C ATOM 275 C VAL A 21 -1.345 -5.881 6.331 1.00 0.00 C ATOM 276 O VAL A 21 -0.319 -6.447 6.706 1.00 0.00 O ATOM 277 CB VAL A 21 -0.910 -4.056 4.684 1.00 0.00 C ATOM 278 CG1 VAL A 21 -0.803 -2.553 4.478 1.00 0.00 C ATOM 279 CG2 VAL A 21 0.422 -4.736 4.409 1.00 0.00 C ATOM 0 H VAL A 21 0.379 -3.986 7.169 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.417 -4.024 6.228 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.643 -4.444 3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.462 -2.348 3.463 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.780 -2.094 4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.091 -2.138 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.748 -4.502 3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.166 -4.379 5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.308 -5.815 4.513 1.00 0.00 H new ATOM 289 N PRO A 22 -2.483 -6.547 6.090 1.00 0.00 N ATOM 290 CA PRO A 22 -2.599 -8.000 6.253 1.00 0.00 C ATOM 291 C PRO A 22 -1.812 -8.765 5.195 1.00 0.00 C ATOM 292 O PRO A 22 -1.574 -8.260 4.098 1.00 0.00 O ATOM 293 CB PRO A 22 -4.100 -8.256 6.093 1.00 0.00 C ATOM 294 CG PRO A 22 -4.592 -7.120 5.265 1.00 0.00 C ATOM 295 CD PRO A 22 -3.746 -5.935 5.641 1.00 0.00 C ATOM 0 HA PRO A 22 -2.195 -8.337 7.207 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.289 -9.212 5.605 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.602 -8.287 7.060 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.500 -7.343 4.202 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.646 -6.924 5.459 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.590 -5.267 4.794 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.210 -5.344 6.431 1.00 0.00 H new ATOM 303 N GLN A 23 -1.411 -9.987 5.531 1.00 0.00 N ATOM 304 CA GLN A 23 -0.651 -10.822 4.609 1.00 0.00 C ATOM 305 C GLN A 23 -1.494 -11.203 3.397 1.00 0.00 C ATOM 306 O GLN A 23 -0.985 -11.756 2.422 1.00 0.00 O ATOM 307 CB GLN A 23 -0.158 -12.085 5.319 1.00 0.00 C ATOM 308 CG GLN A 23 -1.274 -12.908 5.942 1.00 0.00 C ATOM 309 CD GLN A 23 -0.753 -13.999 6.857 1.00 0.00 C ATOM 310 OE1 GLN A 23 -1.137 -15.162 6.736 1.00 0.00 O ATOM 311 NE2 GLN A 23 0.126 -13.628 7.779 1.00 0.00 N ATOM 0 H GLN A 23 -1.600 -10.420 6.435 1.00 0.00 H new ATOM 0 HA GLN A 23 0.209 -10.248 4.264 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.384 -12.705 4.605 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.551 -11.801 6.097 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.934 -12.250 6.507 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.874 -13.358 5.151 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.416 -12.652 7.843 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.511 -14.318 8.423 1.00 0.00 H new ATOM 320 N ARG A 24 -2.788 -10.902 3.464 1.00 0.00 N ATOM 321 CA ARG A 24 -3.702 -11.215 2.373 1.00 0.00 C ATOM 322 C ARG A 24 -3.748 -10.075 1.359 1.00 0.00 C ATOM 323 O ARG A 24 -4.106 -10.277 0.199 1.00 0.00 O ATOM 324 CB ARG A 24 -5.106 -11.484 2.918 1.00 0.00 C ATOM 325 CG ARG A 24 -5.840 -10.229 3.358 1.00 0.00 C ATOM 326 CD ARG A 24 -6.754 -10.503 4.542 1.00 0.00 C ATOM 327 NE ARG A 24 -8.163 -10.328 4.199 1.00 0.00 N ATOM 328 CZ ARG A 24 -9.160 -10.869 4.890 1.00 0.00 C ATOM 329 NH1 ARG A 24 -8.904 -11.614 5.956 1.00 0.00 N ATOM 330 NH2 ARG A 24 -10.416 -10.664 4.515 1.00 0.00 N ATOM 0 H ARG A 24 -3.226 -10.442 4.262 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.337 -12.111 1.871 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.694 -11.988 2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.033 -12.167 3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.117 -9.459 3.626 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.427 -9.839 2.526 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.591 -11.520 4.897 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.495 -9.834 5.362 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.394 -9.759 3.384 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.940 -11.773 6.247 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.671 -12.028 6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.616 -10.091 3.696 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.181 -11.080 5.046 1.00 0.00 H new ATOM 344 N SER A 25 -3.383 -8.877 1.806 1.00 0.00 N ATOM 345 CA SER A 25 -3.388 -7.705 0.940 1.00 0.00 C ATOM 346 C SER A 25 -1.968 -7.332 0.524 1.00 0.00 C ATOM 347 O SER A 25 -1.748 -6.792 -0.561 1.00 0.00 O ATOM 348 CB SER A 25 -4.051 -6.522 1.649 1.00 0.00 C ATOM 349 OG SER A 25 -5.442 -6.740 1.812 1.00 0.00 O ATOM 0 H SER A 25 -3.080 -8.693 2.763 1.00 0.00 H new ATOM 0 HA SER A 25 -3.959 -7.948 0.044 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.587 -6.371 2.624 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.887 -5.611 1.074 1.00 0.00 H new ATOM 0 HG SER A 25 -5.752 -6.282 2.621 1.00 0.00 H new ATOM 355 N VAL A 26 -1.007 -7.623 1.395 1.00 0.00 N ATOM 356 CA VAL A 26 0.393 -7.320 1.120 1.00 0.00 C ATOM 357 C VAL A 26 0.825 -7.897 -0.224 1.00 0.00 C ATOM 358 O VAL A 26 1.678 -7.333 -0.908 1.00 0.00 O ATOM 359 CB VAL A 26 1.314 -7.872 2.224 1.00 0.00 C ATOM 360 CG1 VAL A 26 1.565 -9.358 2.016 1.00 0.00 C ATOM 361 CG2 VAL A 26 2.625 -7.101 2.257 1.00 0.00 C ATOM 0 H VAL A 26 -1.172 -8.068 2.298 1.00 0.00 H new ATOM 0 HA VAL A 26 0.483 -6.234 1.092 1.00 0.00 H new ATOM 0 HB VAL A 26 0.818 -7.743 3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.218 -9.731 2.805 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.617 -9.895 2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.041 -9.515 1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.264 -7.504 3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.128 -7.197 1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.423 -6.049 2.457 1.00 0.00 H new ATOM 371 N GLY A 27 0.230 -9.026 -0.597 1.00 0.00 N ATOM 372 CA GLY A 27 0.567 -9.661 -1.857 1.00 0.00 C ATOM 373 C GLY A 27 0.154 -8.827 -3.055 1.00 0.00 C ATOM 374 O GLY A 27 0.789 -8.885 -4.108 1.00 0.00 O ATOM 0 H GLY A 27 -0.480 -9.512 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.642 -9.839 -1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.081 -10.635 -1.911 1.00 0.00 H new ATOM 378 N ARG A 28 -0.913 -8.052 -2.894 1.00 0.00 N ATOM 379 CA ARG A 28 -1.412 -7.205 -3.972 1.00 0.00 C ATOM 380 C ARG A 28 -0.735 -5.839 -3.946 1.00 0.00 C ATOM 381 O ARG A 28 -0.594 -5.185 -4.980 1.00 0.00 O ATOM 382 CB ARG A 28 -2.928 -7.039 -3.858 1.00 0.00 C ATOM 383 CG ARG A 28 -3.571 -6.452 -5.104 1.00 0.00 C ATOM 384 CD ARG A 28 -4.222 -7.530 -5.956 1.00 0.00 C ATOM 385 NE ARG A 28 -3.238 -8.450 -6.521 1.00 0.00 N ATOM 386 CZ ARG A 28 -2.492 -8.165 -7.582 1.00 0.00 C ATOM 387 NH1 ARG A 28 -2.615 -6.994 -8.190 1.00 0.00 N ATOM 388 NH2 ARG A 28 -1.618 -9.055 -8.037 1.00 0.00 N ATOM 0 H ARG A 28 -1.449 -7.993 -2.028 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.178 -7.689 -4.920 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.377 -8.010 -3.651 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.152 -6.396 -3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.319 -5.714 -4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.817 -5.928 -5.692 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.935 -8.089 -5.350 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.786 -7.063 -6.763 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.117 -9.360 -6.077 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.285 -6.307 -7.843 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.040 -6.779 -9.005 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.520 -9.957 -7.572 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.045 -8.836 -8.852 1.00 0.00 H new ATOM 402 N ILE A 29 -0.321 -5.411 -2.758 1.00 0.00 N ATOM 403 CA ILE A 29 0.340 -4.122 -2.598 1.00 0.00 C ATOM 404 C ILE A 29 1.798 -4.193 -3.042 1.00 0.00 C ATOM 405 O ILE A 29 2.258 -3.364 -3.827 1.00 0.00 O ATOM 406 CB ILE A 29 0.284 -3.638 -1.137 1.00 0.00 C ATOM 407 CG1 ILE A 29 -1.158 -3.655 -0.627 1.00 0.00 C ATOM 408 CG2 ILE A 29 0.876 -2.241 -1.019 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.268 -3.877 0.866 1.00 0.00 C ATOM 0 H ILE A 29 -0.432 -5.938 -1.892 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.196 -3.412 -3.228 1.00 0.00 H new ATOM 0 HB ILE A 29 0.876 -4.316 -0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.636 -2.709 -0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.709 -4.440 -1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.829 -1.913 0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.915 -2.257 -1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.308 -1.551 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.318 -3.877 1.157 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.819 -4.836 1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.746 -3.078 1.392 1.00 0.00 H new ATOM 421 N ILE A 30 2.516 -5.189 -2.536 1.00 0.00 N ATOM 422 CA ILE A 30 3.920 -5.370 -2.883 1.00 0.00 C ATOM 423 C ILE A 30 4.069 -6.046 -4.242 1.00 0.00 C ATOM 424 O ILE A 30 5.037 -5.808 -4.963 1.00 0.00 O ATOM 425 CB ILE A 30 4.659 -6.208 -1.823 1.00 0.00 C ATOM 426 CG1 ILE A 30 4.717 -5.453 -0.493 1.00 0.00 C ATOM 427 CG2 ILE A 30 6.061 -6.554 -2.303 1.00 0.00 C ATOM 428 CD1 ILE A 30 5.687 -6.052 0.501 1.00 0.00 C ATOM 0 H ILE A 30 2.149 -5.883 -1.885 1.00 0.00 H new ATOM 0 HA ILE A 30 4.364 -4.376 -2.924 1.00 0.00 H new ATOM 0 HB ILE A 30 4.109 -7.137 -1.669 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.999 -4.418 -0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.721 -5.436 -0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.570 -7.146 -1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.998 -7.128 -3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.621 -5.636 -2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.675 -5.465 1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.394 -7.078 0.722 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.692 -6.045 0.079 1.00 0.00 H new ATOM 440 N GLY A 31 3.099 -6.888 -4.587 1.00 0.00 N ATOM 441 CA GLY A 31 3.139 -7.584 -5.859 1.00 0.00 C ATOM 442 C GLY A 31 3.677 -8.995 -5.732 1.00 0.00 C ATOM 443 O GLY A 31 3.767 -9.535 -4.628 1.00 0.00 O ATOM 0 H GLY A 31 2.287 -7.100 -4.008 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.135 -7.618 -6.282 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.761 -7.023 -6.557 1.00 0.00 H new ATOM 447 N ARG A 32 4.034 -9.596 -6.862 1.00 0.00 N ATOM 448 CA ARG A 32 4.561 -10.956 -6.872 1.00 0.00 C ATOM 449 C ARG A 32 5.899 -11.024 -6.141 1.00 0.00 C ATOM 450 O ARG A 32 6.199 -12.007 -5.464 1.00 0.00 O ATOM 451 CB ARG A 32 4.728 -11.450 -8.310 1.00 0.00 C ATOM 452 CG ARG A 32 5.065 -10.346 -9.299 1.00 0.00 C ATOM 453 CD ARG A 32 5.955 -10.856 -10.422 1.00 0.00 C ATOM 454 NE ARG A 32 7.125 -10.006 -10.623 1.00 0.00 N ATOM 455 CZ ARG A 32 7.917 -10.085 -11.686 1.00 0.00 C ATOM 456 NH1 ARG A 32 7.666 -10.971 -12.640 1.00 0.00 N ATOM 457 NH2 ARG A 32 8.964 -9.276 -11.797 1.00 0.00 N ATOM 0 H ARG A 32 3.968 -9.163 -7.783 1.00 0.00 H new ATOM 0 HA ARG A 32 3.850 -11.600 -6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.516 -12.203 -8.337 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.807 -11.940 -8.626 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.145 -9.939 -9.719 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.566 -9.530 -8.778 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.280 -11.871 -10.194 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.380 -10.905 -11.346 1.00 0.00 H new ATOM 0 HE ARG A 32 7.346 -9.313 -9.908 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.863 -11.594 -12.559 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.276 -11.029 -13.455 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.161 -8.593 -11.065 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.572 -9.338 -12.614 1.00 0.00 H new ATOM 471 N GLY A 33 6.701 -9.972 -6.284 1.00 0.00 N ATOM 472 CA GLY A 33 7.997 -9.934 -5.632 1.00 0.00 C ATOM 473 C GLY A 33 8.522 -8.521 -5.469 1.00 0.00 C ATOM 474 O GLY A 33 9.728 -8.310 -5.352 1.00 0.00 O ATOM 0 H GLY A 33 6.476 -9.147 -6.839 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.922 -10.406 -4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.710 -10.519 -6.213 1.00 0.00 H new ATOM 478 N GLY A 34 7.613 -7.551 -5.461 1.00 0.00 N ATOM 479 CA GLY A 34 8.010 -6.163 -5.312 1.00 0.00 C ATOM 480 C GLY A 34 7.732 -5.344 -6.557 1.00 0.00 C ATOM 481 O GLY A 34 7.668 -4.116 -6.497 1.00 0.00 O ATOM 0 H GLY A 34 6.609 -7.702 -5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.479 -5.725 -4.467 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.074 -6.115 -5.080 1.00 0.00 H new ATOM 485 N GLU A 35 7.567 -6.024 -7.688 1.00 0.00 N ATOM 486 CA GLU A 35 7.297 -5.349 -8.952 1.00 0.00 C ATOM 487 C GLU A 35 6.222 -4.280 -8.778 1.00 0.00 C ATOM 488 O GLU A 35 6.188 -3.291 -9.513 1.00 0.00 O ATOM 489 CB GLU A 35 6.858 -6.362 -10.012 1.00 0.00 C ATOM 490 CG GLU A 35 5.449 -6.889 -9.804 1.00 0.00 C ATOM 491 CD GLU A 35 4.434 -6.210 -10.702 1.00 0.00 C ATOM 492 OE1 GLU A 35 4.689 -5.064 -11.127 1.00 0.00 O ATOM 493 OE2 GLU A 35 3.383 -6.825 -10.980 1.00 0.00 O ATOM 0 H GLU A 35 7.616 -7.041 -7.754 1.00 0.00 H new ATOM 0 HA GLU A 35 8.217 -4.865 -9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.921 -5.896 -10.995 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.554 -7.201 -10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.435 -7.962 -9.993 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.161 -6.745 -8.763 1.00 0.00 H new ATOM 500 N THR A 36 5.344 -4.483 -7.801 1.00 0.00 N ATOM 501 CA THR A 36 4.267 -3.540 -7.532 1.00 0.00 C ATOM 502 C THR A 36 4.713 -2.463 -6.549 1.00 0.00 C ATOM 503 O THR A 36 4.278 -1.314 -6.634 1.00 0.00 O ATOM 504 CB THR A 36 3.024 -4.252 -6.967 1.00 0.00 C ATOM 505 OG1 THR A 36 2.604 -5.288 -7.861 1.00 0.00 O ATOM 506 CG2 THR A 36 1.885 -3.266 -6.754 1.00 0.00 C ATOM 0 H THR A 36 5.358 -5.294 -7.182 1.00 0.00 H new ATOM 0 HA THR A 36 4.008 -3.076 -8.484 1.00 0.00 H new ATOM 0 HB THR A 36 3.289 -4.689 -6.004 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.814 -5.737 -7.494 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.018 -3.792 -6.354 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.198 -2.495 -6.050 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.622 -2.803 -7.705 1.00 0.00 H new ATOM 514 N ILE A 37 5.581 -2.841 -5.619 1.00 0.00 N ATOM 515 CA ILE A 37 6.087 -1.906 -4.621 1.00 0.00 C ATOM 516 C ILE A 37 7.150 -0.988 -5.215 1.00 0.00 C ATOM 517 O ILE A 37 7.505 0.031 -4.626 1.00 0.00 O ATOM 518 CB ILE A 37 6.683 -2.645 -3.408 1.00 0.00 C ATOM 519 CG1 ILE A 37 6.483 -1.823 -2.133 1.00 0.00 C ATOM 520 CG2 ILE A 37 8.161 -2.929 -3.635 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.038 -1.466 -1.866 1.00 0.00 C ATOM 0 H ILE A 37 5.949 -3.788 -5.535 1.00 0.00 H new ATOM 0 HA ILE A 37 5.238 -1.308 -4.291 1.00 0.00 H new ATOM 0 HB ILE A 37 6.164 -3.596 -3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.873 -2.384 -1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.068 -0.906 -2.206 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.568 -3.452 -2.769 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.280 -3.550 -4.523 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.695 -1.989 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.971 -0.884 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.649 -0.878 -2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.451 -2.379 -1.761 1.00 0.00 H new ATOM 533 N ARG A 38 7.653 -1.358 -6.389 1.00 0.00 N ATOM 534 CA ARG A 38 8.675 -0.567 -7.065 1.00 0.00 C ATOM 535 C ARG A 38 8.040 0.525 -7.920 1.00 0.00 C ATOM 536 O ARG A 38 8.575 1.628 -8.034 1.00 0.00 O ATOM 537 CB ARG A 38 9.552 -1.467 -7.938 1.00 0.00 C ATOM 538 CG ARG A 38 10.313 -2.522 -7.152 1.00 0.00 C ATOM 539 CD ARG A 38 11.655 -2.836 -7.796 1.00 0.00 C ATOM 540 NE ARG A 38 12.732 -2.900 -6.813 1.00 0.00 N ATOM 541 CZ ARG A 38 14.019 -2.793 -7.126 1.00 0.00 C ATOM 542 NH1 ARG A 38 14.386 -2.619 -8.388 1.00 0.00 N ATOM 543 NH2 ARG A 38 14.942 -2.862 -6.175 1.00 0.00 N ATOM 0 H ARG A 38 7.370 -2.199 -6.891 1.00 0.00 H new ATOM 0 HA ARG A 38 9.295 -0.094 -6.304 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.925 -1.961 -8.681 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.264 -0.848 -8.483 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.471 -2.174 -6.131 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.716 -3.432 -7.090 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.590 -3.787 -8.325 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.888 -2.073 -8.539 1.00 0.00 H new ATOM 0 HE ARG A 38 12.483 -3.034 -5.833 1.00 0.00 H new ATOM 0 HH11 ARG A 38 13.680 -2.567 -9.122 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.375 -2.537 -8.625 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.664 -2.997 -5.203 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.930 -2.780 -6.416 1.00 0.00 H new ATOM 557 N SER A 39 6.895 0.211 -8.520 1.00 0.00 N ATOM 558 CA SER A 39 6.190 1.163 -9.368 1.00 0.00 C ATOM 559 C SER A 39 5.507 2.237 -8.527 1.00 0.00 C ATOM 560 O SER A 39 5.319 3.368 -8.977 1.00 0.00 O ATOM 561 CB SER A 39 5.155 0.441 -10.232 1.00 0.00 C ATOM 562 OG SER A 39 4.906 1.151 -11.432 1.00 0.00 O ATOM 0 H SER A 39 6.437 -0.696 -8.434 1.00 0.00 H new ATOM 0 HA SER A 39 6.921 1.644 -10.017 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.510 -0.563 -10.467 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.226 0.328 -9.673 1.00 0.00 H new ATOM 0 HG SER A 39 4.242 0.667 -11.967 1.00 0.00 H new ATOM 568 N ILE A 40 5.138 1.875 -7.303 1.00 0.00 N ATOM 569 CA ILE A 40 4.476 2.807 -6.398 1.00 0.00 C ATOM 570 C ILE A 40 5.472 3.801 -5.809 1.00 0.00 C ATOM 571 O ILE A 40 5.207 5.003 -5.755 1.00 0.00 O ATOM 572 CB ILE A 40 3.766 2.068 -5.249 1.00 0.00 C ATOM 573 CG1 ILE A 40 2.711 1.109 -5.806 1.00 0.00 C ATOM 574 CG2 ILE A 40 3.131 3.064 -4.291 1.00 0.00 C ATOM 575 CD1 ILE A 40 2.229 0.090 -4.798 1.00 0.00 C ATOM 0 H ILE A 40 5.286 0.943 -6.915 1.00 0.00 H new ATOM 0 HA ILE A 40 3.733 3.345 -6.987 1.00 0.00 H new ATOM 0 HB ILE A 40 4.505 1.486 -4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.858 1.687 -6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.125 0.587 -6.669 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.633 2.526 -3.484 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.903 3.710 -3.874 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.401 3.670 -4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.483 -0.556 -5.262 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.071 -0.513 -4.459 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.785 0.604 -3.945 1.00 0.00 H new ATOM 587 N CYS A 41 6.618 3.292 -5.370 1.00 0.00 N ATOM 588 CA CYS A 41 7.655 4.136 -4.785 1.00 0.00 C ATOM 589 C CYS A 41 8.122 5.193 -5.781 1.00 0.00 C ATOM 590 O CYS A 41 8.516 6.294 -5.396 1.00 0.00 O ATOM 591 CB CYS A 41 8.842 3.282 -4.335 1.00 0.00 C ATOM 592 SG CYS A 41 10.281 4.240 -3.807 1.00 0.00 S ATOM 0 H CYS A 41 6.853 2.300 -5.408 1.00 0.00 H new ATOM 0 HA CYS A 41 7.231 4.642 -3.918 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.524 2.641 -3.513 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.136 2.627 -5.155 1.00 0.00 H new ATOM 0 HG CYS A 41 10.167 5.464 -4.230 1.00 0.00 H new ATOM 598 N LYS A 42 8.075 4.851 -7.064 1.00 0.00 N ATOM 599 CA LYS A 42 8.493 5.770 -8.116 1.00 0.00 C ATOM 600 C LYS A 42 7.336 6.665 -8.548 1.00 0.00 C ATOM 601 O LYS A 42 7.547 7.765 -9.058 1.00 0.00 O ATOM 602 CB LYS A 42 9.025 4.990 -9.321 1.00 0.00 C ATOM 603 CG LYS A 42 7.932 4.382 -10.183 1.00 0.00 C ATOM 604 CD LYS A 42 8.465 3.953 -11.540 1.00 0.00 C ATOM 605 CE LYS A 42 9.472 2.821 -11.409 1.00 0.00 C ATOM 606 NZ LYS A 42 10.066 2.451 -12.725 1.00 0.00 N ATOM 0 H LYS A 42 7.752 3.944 -7.400 1.00 0.00 H new ATOM 0 HA LYS A 42 9.288 6.400 -7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.632 5.656 -9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.682 4.195 -8.967 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.501 3.521 -9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.129 5.107 -10.319 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.637 3.634 -12.173 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.934 4.804 -12.034 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.265 3.118 -10.723 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.984 1.949 -10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.747 1.676 -12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.312 2.143 -13.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.554 3.275 -13.130 1.00 0.00 H new ATOM 620 N ALA A 43 6.114 6.187 -8.338 1.00 0.00 N ATOM 621 CA ALA A 43 4.924 6.946 -8.703 1.00 0.00 C ATOM 622 C ALA A 43 4.603 8.002 -7.651 1.00 0.00 C ATOM 623 O ALA A 43 4.041 9.052 -7.962 1.00 0.00 O ATOM 624 CB ALA A 43 3.739 6.011 -8.894 1.00 0.00 C ATOM 0 H ALA A 43 5.922 5.278 -7.917 1.00 0.00 H new ATOM 0 HA ALA A 43 5.124 7.457 -9.645 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.858 6.592 -9.166 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.963 5.297 -9.687 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.547 5.473 -7.966 1.00 0.00 H new ATOM 630 N SER A 44 4.963 7.716 -6.403 1.00 0.00 N ATOM 631 CA SER A 44 4.709 8.639 -5.303 1.00 0.00 C ATOM 632 C SER A 44 5.998 9.322 -4.858 1.00 0.00 C ATOM 633 O SER A 44 5.997 10.494 -4.484 1.00 0.00 O ATOM 634 CB SER A 44 4.076 7.899 -4.124 1.00 0.00 C ATOM 635 OG SER A 44 4.795 6.717 -3.819 1.00 0.00 O ATOM 0 H SER A 44 5.431 6.852 -6.129 1.00 0.00 H new ATOM 0 HA SER A 44 4.017 9.404 -5.656 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.054 8.551 -3.251 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.042 7.649 -4.361 1.00 0.00 H new ATOM 0 HG SER A 44 4.624 6.043 -4.509 1.00 0.00 H new ATOM 641 N GLY A 45 7.100 8.577 -4.901 1.00 0.00 N ATOM 642 CA GLY A 45 8.381 9.126 -4.498 1.00 0.00 C ATOM 643 C GLY A 45 8.714 8.822 -3.051 1.00 0.00 C ATOM 644 O GLY A 45 9.813 9.118 -2.585 1.00 0.00 O ATOM 0 H GLY A 45 7.127 7.605 -5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.164 8.722 -5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.373 10.206 -4.646 1.00 0.00 H new ATOM 648 N ALA A 46 7.761 8.230 -2.338 1.00 0.00 N ATOM 649 CA ALA A 46 7.959 7.886 -0.936 1.00 0.00 C ATOM 650 C ALA A 46 8.585 6.503 -0.792 1.00 0.00 C ATOM 651 O ALA A 46 8.189 5.557 -1.473 1.00 0.00 O ATOM 652 CB ALA A 46 6.636 7.948 -0.186 1.00 0.00 C ATOM 0 H ALA A 46 6.845 7.979 -2.709 1.00 0.00 H new ATOM 0 HA ALA A 46 8.646 8.614 -0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.798 7.689 0.860 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.228 8.957 -0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.933 7.243 -0.630 1.00 0.00 H new ATOM 658 N LYS A 47 9.566 6.392 0.095 1.00 0.00 N ATOM 659 CA LYS A 47 10.249 5.125 0.329 1.00 0.00 C ATOM 660 C LYS A 47 9.338 4.144 1.060 1.00 0.00 C ATOM 661 O LYS A 47 8.886 4.413 2.173 1.00 0.00 O ATOM 662 CB LYS A 47 11.527 5.352 1.140 1.00 0.00 C ATOM 663 CG LYS A 47 12.759 4.710 0.526 1.00 0.00 C ATOM 664 CD LYS A 47 12.676 3.193 0.565 1.00 0.00 C ATOM 665 CE LYS A 47 14.046 2.564 0.764 1.00 0.00 C ATOM 666 NZ LYS A 47 14.388 1.620 -0.335 1.00 0.00 N ATOM 0 H LYS A 47 9.907 7.166 0.665 1.00 0.00 H new ATOM 0 HA LYS A 47 10.512 4.698 -0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.698 6.424 1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.384 4.956 2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.868 5.043 -0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.648 5.040 1.063 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.012 2.885 1.373 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.238 2.828 -0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.801 3.348 0.817 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.068 2.035 1.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.329 1.213 -0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.682 0.857 -0.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.392 2.130 -1.242 1.00 0.00 H new ATOM 680 N ILE A 48 9.075 3.005 0.427 1.00 0.00 N ATOM 681 CA ILE A 48 8.220 1.983 1.019 1.00 0.00 C ATOM 682 C ILE A 48 9.011 0.718 1.330 1.00 0.00 C ATOM 683 O ILE A 48 9.739 0.201 0.481 1.00 0.00 O ATOM 684 CB ILE A 48 7.045 1.624 0.090 1.00 0.00 C ATOM 685 CG1 ILE A 48 6.181 2.859 -0.176 1.00 0.00 C ATOM 686 CG2 ILE A 48 6.210 0.509 0.700 1.00 0.00 C ATOM 687 CD1 ILE A 48 5.923 3.111 -1.644 1.00 0.00 C ATOM 0 H ILE A 48 9.441 2.767 -0.495 1.00 0.00 H new ATOM 0 HA ILE A 48 7.826 2.400 1.946 1.00 0.00 H new ATOM 0 HB ILE A 48 7.447 1.273 -0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.227 2.742 0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.669 3.733 0.254 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.384 0.266 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.832 -0.375 0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.815 0.835 1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.305 4.001 -1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.872 3.260 -2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.407 2.253 -2.075 1.00 0.00 H new ATOM 699 N THR A 49 8.865 0.220 2.554 1.00 0.00 N ATOM 700 CA THR A 49 9.565 -0.986 2.979 1.00 0.00 C ATOM 701 C THR A 49 8.673 -1.860 3.853 1.00 0.00 C ATOM 702 O THR A 49 7.638 -1.411 4.347 1.00 0.00 O ATOM 703 CB THR A 49 10.851 -0.645 3.756 1.00 0.00 C ATOM 704 OG1 THR A 49 11.681 -1.806 3.861 1.00 0.00 O ATOM 705 CG2 THR A 49 10.520 -0.123 5.146 1.00 0.00 C ATOM 0 H THR A 49 8.267 0.634 3.269 1.00 0.00 H new ATOM 0 HA THR A 49 9.831 -1.533 2.074 1.00 0.00 H new ATOM 0 HB THR A 49 11.384 0.134 3.211 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.497 -1.581 4.355 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.443 0.111 5.676 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.912 0.778 5.061 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.967 -0.883 5.698 1.00 0.00 H new ATOM 713 N CYS A 50 9.081 -3.111 4.041 1.00 0.00 N ATOM 714 CA CYS A 50 8.317 -4.049 4.855 1.00 0.00 C ATOM 715 C CYS A 50 9.021 -4.313 6.183 1.00 0.00 C ATOM 716 O CYS A 50 10.250 -4.289 6.262 1.00 0.00 O ATOM 717 CB CYS A 50 8.114 -5.365 4.102 1.00 0.00 C ATOM 718 SG CYS A 50 9.578 -6.424 4.058 1.00 0.00 S ATOM 0 H CYS A 50 9.936 -3.498 3.641 1.00 0.00 H new ATOM 0 HA CYS A 50 7.344 -3.604 5.061 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.295 -5.914 4.567 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.809 -5.143 3.079 1.00 0.00 H new ATOM 0 HG CYS A 50 10.034 -6.585 5.265 1.00 0.00 H new ATOM 724 N ASP A 51 8.235 -4.565 7.224 1.00 0.00 N ATOM 725 CA ASP A 51 8.783 -4.833 8.548 1.00 0.00 C ATOM 726 C ASP A 51 10.047 -5.682 8.452 1.00 0.00 C ATOM 727 O ASP A 51 10.265 -6.382 7.463 1.00 0.00 O ATOM 728 CB ASP A 51 7.743 -5.542 9.419 1.00 0.00 C ATOM 729 CG ASP A 51 7.806 -5.102 10.869 1.00 0.00 C ATOM 730 OD1 ASP A 51 8.085 -3.909 11.115 1.00 0.00 O ATOM 731 OD2 ASP A 51 7.574 -5.948 11.756 1.00 0.00 O ATOM 0 H ASP A 51 7.216 -4.589 7.176 1.00 0.00 H new ATOM 0 HA ASP A 51 9.042 -3.879 9.007 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.746 -5.343 9.025 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.899 -6.619 9.362 1.00 0.00 H new ATOM 736 N LYS A 52 10.879 -5.613 9.485 1.00 0.00 N ATOM 737 CA LYS A 52 12.123 -6.374 9.519 1.00 0.00 C ATOM 738 C LYS A 52 12.336 -7.007 10.890 1.00 0.00 C ATOM 739 O LYS A 52 12.595 -8.205 10.997 1.00 0.00 O ATOM 740 CB LYS A 52 13.307 -5.470 9.172 1.00 0.00 C ATOM 741 CG LYS A 52 13.212 -4.082 9.781 1.00 0.00 C ATOM 742 CD LYS A 52 14.216 -3.895 10.907 1.00 0.00 C ATOM 743 CE LYS A 52 14.605 -2.435 11.072 1.00 0.00 C ATOM 744 NZ LYS A 52 15.589 -2.243 12.173 1.00 0.00 N ATOM 0 H LYS A 52 10.715 -5.037 10.311 1.00 0.00 H new ATOM 0 HA LYS A 52 12.053 -7.171 8.778 1.00 0.00 H new ATOM 0 HB2 LYS A 52 14.227 -5.945 9.512 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.378 -5.378 8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.387 -3.333 9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.204 -3.919 10.161 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.791 -4.267 11.840 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.107 -4.489 10.703 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.028 -2.064 10.138 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.713 -1.842 11.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.828 -1.234 12.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.176 -2.573 13.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.451 -2.788 11.967 1.00 0.00 H new ATOM 758 N GLU A 53 12.225 -6.193 11.936 1.00 0.00 N ATOM 759 CA GLU A 53 12.405 -6.675 13.300 1.00 0.00 C ATOM 760 C GLU A 53 11.689 -8.007 13.506 1.00 0.00 C ATOM 761 O GLU A 53 12.146 -8.859 14.269 1.00 0.00 O ATOM 762 CB GLU A 53 11.885 -5.643 14.303 1.00 0.00 C ATOM 763 CG GLU A 53 12.970 -4.744 14.870 1.00 0.00 C ATOM 764 CD GLU A 53 12.457 -3.830 15.965 1.00 0.00 C ATOM 765 OE1 GLU A 53 11.651 -2.928 15.657 1.00 0.00 O ATOM 766 OE2 GLU A 53 12.860 -4.017 17.133 1.00 0.00 O ATOM 0 H GLU A 53 12.012 -5.198 11.864 1.00 0.00 H new ATOM 0 HA GLU A 53 13.472 -6.826 13.466 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.130 -5.025 13.817 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.391 -6.163 15.123 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.778 -5.360 15.265 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.393 -4.141 14.067 1.00 0.00 H new ATOM 773 N SER A 54 10.564 -8.180 12.821 1.00 0.00 N ATOM 774 CA SER A 54 9.782 -9.405 12.931 1.00 0.00 C ATOM 775 C SER A 54 10.200 -10.414 11.866 1.00 0.00 C ATOM 776 O SER A 54 10.728 -10.044 10.818 1.00 0.00 O ATOM 777 CB SER A 54 8.288 -9.096 12.798 1.00 0.00 C ATOM 778 OG SER A 54 7.922 -8.928 11.439 1.00 0.00 O ATOM 0 H SER A 54 10.173 -7.486 12.183 1.00 0.00 H new ATOM 0 HA SER A 54 9.970 -9.840 13.913 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.705 -9.905 13.238 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.049 -8.191 13.357 1.00 0.00 H new ATOM 0 HG SER A 54 7.725 -7.983 11.268 1.00 0.00 H new ATOM 784 N GLU A 55 9.960 -11.692 12.145 1.00 0.00 N ATOM 785 CA GLU A 55 10.313 -12.756 11.211 1.00 0.00 C ATOM 786 C GLU A 55 9.857 -12.411 9.796 1.00 0.00 C ATOM 787 O GLU A 55 10.577 -12.645 8.826 1.00 0.00 O ATOM 788 CB GLU A 55 9.687 -14.080 11.653 1.00 0.00 C ATOM 789 CG GLU A 55 8.184 -14.003 11.863 1.00 0.00 C ATOM 790 CD GLU A 55 7.686 -15.003 12.888 1.00 0.00 C ATOM 791 OE1 GLU A 55 8.164 -16.157 12.871 1.00 0.00 O ATOM 792 OE2 GLU A 55 6.818 -14.632 13.706 1.00 0.00 O ATOM 0 H GLU A 55 9.524 -12.015 13.008 1.00 0.00 H new ATOM 0 HA GLU A 55 11.398 -12.859 11.209 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.902 -14.842 10.904 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.159 -14.403 12.581 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.917 -12.996 12.184 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.679 -14.180 10.913 1.00 0.00 H new ATOM 799 N GLY A 56 8.655 -11.854 9.687 1.00 0.00 N ATOM 800 CA GLY A 56 8.123 -11.488 8.387 1.00 0.00 C ATOM 801 C GLY A 56 7.859 -12.693 7.507 1.00 0.00 C ATOM 802 O GLY A 56 8.030 -12.632 6.290 1.00 0.00 O ATOM 0 H GLY A 56 8.040 -11.650 10.475 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.196 -10.930 8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.825 -10.823 7.885 1.00 0.00 H new ATOM 806 N THR A 57 7.443 -13.795 8.125 1.00 0.00 N ATOM 807 CA THR A 57 7.159 -15.021 7.391 1.00 0.00 C ATOM 808 C THR A 57 5.708 -15.059 6.924 1.00 0.00 C ATOM 809 O THR A 57 5.428 -14.986 5.726 1.00 0.00 O ATOM 810 CB THR A 57 7.442 -16.268 8.249 1.00 0.00 C ATOM 811 OG1 THR A 57 8.824 -16.303 8.621 1.00 0.00 O ATOM 812 CG2 THR A 57 7.083 -17.539 7.492 1.00 0.00 C ATOM 0 H THR A 57 7.296 -13.863 9.132 1.00 0.00 H new ATOM 0 HA THR A 57 7.818 -15.029 6.523 1.00 0.00 H new ATOM 0 HB THR A 57 6.826 -16.212 9.146 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.996 -17.098 9.168 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.291 -18.407 8.118 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.024 -17.523 7.235 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.676 -17.599 6.580 1.00 0.00 H new ATOM 820 N LEU A 58 4.788 -15.170 7.875 1.00 0.00 N ATOM 821 CA LEU A 58 3.364 -15.217 7.562 1.00 0.00 C ATOM 822 C LEU A 58 2.526 -15.243 8.836 1.00 0.00 C ATOM 823 O LEU A 58 1.422 -15.790 8.855 1.00 0.00 O ATOM 824 CB LEU A 58 3.049 -16.445 6.705 1.00 0.00 C ATOM 825 CG LEU A 58 2.558 -16.165 5.285 1.00 0.00 C ATOM 826 CD1 LEU A 58 2.998 -17.271 4.340 1.00 0.00 C ATOM 827 CD2 LEU A 58 1.043 -16.015 5.265 1.00 0.00 C ATOM 0 H LEU A 58 5.003 -15.229 8.870 1.00 0.00 H new ATOM 0 HA LEU A 58 3.111 -14.317 7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.947 -17.060 6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.292 -17.038 7.219 1.00 0.00 H new ATOM 0 HG LEU A 58 3.001 -15.229 4.946 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.639 -17.054 3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.086 -17.331 4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.585 -18.222 4.675 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.710 -15.816 4.246 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.582 -16.935 5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.751 -15.187 5.910 1.00 0.00 H new ATOM 839 N LEU A 59 3.055 -14.647 9.898 1.00 0.00 N ATOM 840 CA LEU A 59 2.356 -14.599 11.177 1.00 0.00 C ATOM 841 C LEU A 59 0.853 -14.439 10.970 1.00 0.00 C ATOM 842 O LEU A 59 0.116 -15.424 10.902 1.00 0.00 O ATOM 843 CB LEU A 59 2.890 -13.447 12.031 1.00 0.00 C ATOM 844 CG LEU A 59 3.807 -12.453 11.318 1.00 0.00 C ATOM 845 CD1 LEU A 59 3.096 -11.831 10.127 1.00 0.00 C ATOM 846 CD2 LEU A 59 4.277 -11.375 12.284 1.00 0.00 C ATOM 0 H LEU A 59 3.967 -14.190 9.899 1.00 0.00 H new ATOM 0 HA LEU A 59 2.535 -15.541 11.696 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.040 -12.899 12.439 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.433 -13.869 12.877 1.00 0.00 H new ATOM 0 HG LEU A 59 4.681 -12.991 10.952 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.764 -11.126 9.632 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.809 -12.614 9.425 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.204 -11.306 10.469 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.929 -10.676 11.760 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.414 -10.840 12.680 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.825 -11.836 13.105 1.00 0.00 H new ATOM 858 N LEU A 60 0.404 -13.193 10.868 1.00 0.00 N ATOM 859 CA LEU A 60 -1.011 -12.903 10.665 1.00 0.00 C ATOM 860 C LEU A 60 -1.195 -11.659 9.803 1.00 0.00 C ATOM 861 O LEU A 60 -1.959 -11.668 8.838 1.00 0.00 O ATOM 862 CB LEU A 60 -1.710 -12.711 12.013 1.00 0.00 C ATOM 863 CG LEU A 60 -2.540 -13.892 12.514 1.00 0.00 C ATOM 864 CD1 LEU A 60 -2.613 -13.888 14.033 1.00 0.00 C ATOM 865 CD2 LEU A 60 -3.936 -13.858 11.911 1.00 0.00 C ATOM 0 H LEU A 60 1.000 -12.367 10.923 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.459 -13.750 10.146 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.953 -12.481 12.763 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.361 -11.840 11.941 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.052 -14.814 12.197 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.208 -14.736 14.371 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.607 -13.963 14.446 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.076 -12.962 14.373 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.512 -14.707 12.279 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.433 -12.931 12.196 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.865 -13.912 10.825 1.00 0.00 H new ATOM 877 N SER A 61 -0.485 -10.592 10.153 1.00 0.00 N ATOM 878 CA SER A 61 -0.571 -9.339 9.411 1.00 0.00 C ATOM 879 C SER A 61 0.814 -8.730 9.212 1.00 0.00 C ATOM 880 O SER A 61 1.698 -8.881 10.056 1.00 0.00 O ATOM 881 CB SER A 61 -1.475 -8.348 10.147 1.00 0.00 C ATOM 882 OG SER A 61 -1.204 -8.343 11.537 1.00 0.00 O ATOM 0 H SER A 61 0.156 -10.569 10.946 1.00 0.00 H new ATOM 0 HA SER A 61 -0.999 -9.553 8.432 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.328 -7.347 9.741 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.520 -8.610 9.978 1.00 0.00 H new ATOM 0 HG SER A 61 -1.794 -7.700 11.983 1.00 0.00 H new ATOM 888 N ARG A 62 0.995 -8.043 8.090 1.00 0.00 N ATOM 889 CA ARG A 62 2.271 -7.412 7.777 1.00 0.00 C ATOM 890 C ARG A 62 2.213 -5.909 8.038 1.00 0.00 C ATOM 891 O ARG A 62 1.140 -5.348 8.261 1.00 0.00 O ATOM 892 CB ARG A 62 2.649 -7.672 6.317 1.00 0.00 C ATOM 893 CG ARG A 62 3.640 -8.810 6.140 1.00 0.00 C ATOM 894 CD ARG A 62 5.041 -8.402 6.567 1.00 0.00 C ATOM 895 NE ARG A 62 5.959 -8.330 5.434 1.00 0.00 N ATOM 896 CZ ARG A 62 6.524 -9.395 4.876 1.00 0.00 C ATOM 897 NH1 ARG A 62 6.264 -10.608 5.344 1.00 0.00 N ATOM 898 NH2 ARG A 62 7.349 -9.249 3.848 1.00 0.00 N ATOM 0 H ARG A 62 0.273 -7.909 7.382 1.00 0.00 H new ATOM 0 HA ARG A 62 3.031 -7.847 8.425 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.745 -7.897 5.751 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.073 -6.762 5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.316 -9.670 6.726 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.654 -9.123 5.096 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.001 -7.432 7.063 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.421 -9.118 7.296 1.00 0.00 H new ATOM 0 HE ARG A 62 6.179 -7.411 5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.629 -10.725 6.134 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.699 -11.424 4.914 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.551 -8.318 3.484 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.782 -10.068 3.421 1.00 0.00 H new ATOM 912 N LEU A 63 3.374 -5.264 8.009 1.00 0.00 N ATOM 913 CA LEU A 63 3.456 -3.827 8.243 1.00 0.00 C ATOM 914 C LEU A 63 4.411 -3.167 7.254 1.00 0.00 C ATOM 915 O LEU A 63 5.507 -3.671 7.004 1.00 0.00 O ATOM 916 CB LEU A 63 3.916 -3.548 9.675 1.00 0.00 C ATOM 917 CG LEU A 63 3.988 -2.076 10.083 1.00 0.00 C ATOM 918 CD1 LEU A 63 2.627 -1.414 9.937 1.00 0.00 C ATOM 919 CD2 LEU A 63 4.497 -1.943 11.512 1.00 0.00 C ATOM 0 H LEU A 63 4.271 -5.713 7.826 1.00 0.00 H new ATOM 0 HA LEU A 63 2.462 -3.404 8.098 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.240 -4.061 10.359 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.903 -3.990 9.811 1.00 0.00 H new ATOM 0 HG LEU A 63 4.689 -1.569 9.420 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.698 -0.367 10.232 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.301 -1.477 8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.905 -1.923 10.576 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.542 -0.889 11.786 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.821 -2.465 12.189 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.493 -2.380 11.586 1.00 0.00 H new ATOM 931 N ILE A 64 3.990 -2.038 6.694 1.00 0.00 N ATOM 932 CA ILE A 64 4.809 -1.309 5.735 1.00 0.00 C ATOM 933 C ILE A 64 5.276 0.024 6.312 1.00 0.00 C ATOM 934 O ILE A 64 4.635 0.588 7.199 1.00 0.00 O ATOM 935 CB ILE A 64 4.044 -1.049 4.424 1.00 0.00 C ATOM 936 CG1 ILE A 64 3.856 -2.355 3.650 1.00 0.00 C ATOM 937 CG2 ILE A 64 4.781 -0.024 3.575 1.00 0.00 C ATOM 938 CD1 ILE A 64 5.136 -2.891 3.050 1.00 0.00 C ATOM 0 H ILE A 64 3.086 -1.608 6.888 1.00 0.00 H new ATOM 0 HA ILE A 64 5.676 -1.934 5.522 1.00 0.00 H new ATOM 0 HB ILE A 64 3.060 -0.649 4.668 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.435 -3.106 4.318 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.130 -2.194 2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.228 0.149 2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.867 0.912 4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.777 -0.397 3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.927 -3.818 2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 64 5.548 -2.158 2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.857 -3.084 3.844 1.00 0.00 H new ATOM 950 N LYS A 65 6.396 0.523 5.801 1.00 0.00 N ATOM 951 CA LYS A 65 6.949 1.792 6.260 1.00 0.00 C ATOM 952 C LYS A 65 7.095 2.774 5.103 1.00 0.00 C ATOM 953 O LYS A 65 7.803 2.503 4.133 1.00 0.00 O ATOM 954 CB LYS A 65 8.308 1.567 6.928 1.00 0.00 C ATOM 955 CG LYS A 65 8.295 1.797 8.428 1.00 0.00 C ATOM 956 CD LYS A 65 9.691 1.697 9.021 1.00 0.00 C ATOM 957 CE LYS A 65 9.856 0.432 9.848 1.00 0.00 C ATOM 958 NZ LYS A 65 9.593 0.675 11.294 1.00 0.00 N ATOM 0 H LYS A 65 6.939 0.067 5.068 1.00 0.00 H new ATOM 0 HA LYS A 65 6.259 2.218 6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.637 0.547 6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.041 2.233 6.473 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.878 2.781 8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.644 1.064 8.904 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.430 1.708 8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.886 2.569 9.645 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.174 -0.334 9.479 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.868 0.046 9.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.582 -0.232 11.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.341 1.282 11.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.672 1.145 11.405 1.00 0.00 H new ATOM 972 N ILE A 66 6.422 3.914 5.213 1.00 0.00 N ATOM 973 CA ILE A 66 6.479 4.937 4.176 1.00 0.00 C ATOM 974 C ILE A 66 7.248 6.163 4.655 1.00 0.00 C ATOM 975 O ILE A 66 6.987 6.688 5.738 1.00 0.00 O ATOM 976 CB ILE A 66 5.069 5.369 3.733 1.00 0.00 C ATOM 977 CG1 ILE A 66 4.266 4.158 3.257 1.00 0.00 C ATOM 978 CG2 ILE A 66 5.157 6.418 2.634 1.00 0.00 C ATOM 979 CD1 ILE A 66 2.846 4.130 3.779 1.00 0.00 C ATOM 0 H ILE A 66 5.831 4.153 6.009 1.00 0.00 H new ATOM 0 HA ILE A 66 6.998 4.495 3.325 1.00 0.00 H new ATOM 0 HB ILE A 66 4.555 5.808 4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.244 4.153 2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.777 3.248 3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.152 6.713 2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.695 7.290 3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.687 6.003 1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.337 3.244 3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.859 4.104 4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.318 5.023 3.444 1.00 0.00 H new ATOM 991 N SER A 67 8.195 6.618 3.841 1.00 0.00 N ATOM 992 CA SER A 67 9.004 7.782 4.182 1.00 0.00 C ATOM 993 C SER A 67 9.132 8.723 2.989 1.00 0.00 C ATOM 994 O SER A 67 8.872 8.339 1.850 1.00 0.00 O ATOM 995 CB SER A 67 10.392 7.344 4.654 1.00 0.00 C ATOM 996 OG SER A 67 11.011 6.501 3.699 1.00 0.00 O ATOM 0 H SER A 67 8.421 6.198 2.940 1.00 0.00 H new ATOM 0 HA SER A 67 8.506 8.316 4.991 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.015 8.222 4.827 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.308 6.820 5.606 1.00 0.00 H new ATOM 0 HG SER A 67 11.897 6.236 4.023 1.00 0.00 H new ATOM 1002 N GLY A 68 9.536 9.961 3.260 1.00 0.00 N ATOM 1003 CA GLY A 68 9.692 10.939 2.200 1.00 0.00 C ATOM 1004 C GLY A 68 9.115 12.292 2.569 1.00 0.00 C ATOM 1005 O GLY A 68 8.879 12.575 3.745 1.00 0.00 O ATOM 0 H GLY A 68 9.758 10.303 4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.751 11.051 1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.203 10.573 1.297 1.00 0.00 H new ATOM 1009 N THR A 69 8.889 13.132 1.564 1.00 0.00 N ATOM 1010 CA THR A 69 8.339 14.463 1.789 1.00 0.00 C ATOM 1011 C THR A 69 6.821 14.417 1.907 1.00 0.00 C ATOM 1012 O THR A 69 6.166 13.582 1.285 1.00 0.00 O ATOM 1013 CB THR A 69 8.726 15.429 0.653 1.00 0.00 C ATOM 1014 OG1 THR A 69 8.154 14.987 -0.583 1.00 0.00 O ATOM 1015 CG2 THR A 69 10.238 15.524 0.513 1.00 0.00 C ATOM 0 H THR A 69 9.078 12.914 0.586 1.00 0.00 H new ATOM 0 HA THR A 69 8.762 14.827 2.725 1.00 0.00 H new ATOM 0 HB THR A 69 8.338 16.417 0.900 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.403 15.608 -1.299 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.486 16.212 -0.295 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.667 15.890 1.446 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.645 14.538 0.288 1.00 0.00 H new ATOM 1023 N GLN A 70 6.267 15.320 2.710 1.00 0.00 N ATOM 1024 CA GLN A 70 4.824 15.383 2.909 1.00 0.00 C ATOM 1025 C GLN A 70 4.083 15.149 1.598 1.00 0.00 C ATOM 1026 O GLN A 70 2.935 14.705 1.591 1.00 0.00 O ATOM 1027 CB GLN A 70 4.427 16.737 3.500 1.00 0.00 C ATOM 1028 CG GLN A 70 3.022 16.759 4.079 1.00 0.00 C ATOM 1029 CD GLN A 70 2.921 16.011 5.394 1.00 0.00 C ATOM 1030 OE1 GLN A 70 3.188 16.568 6.460 1.00 0.00 O ATOM 1031 NE2 GLN A 70 2.534 14.743 5.327 1.00 0.00 N ATOM 0 H GLN A 70 6.796 16.018 3.233 1.00 0.00 H new ATOM 0 HA GLN A 70 4.545 14.595 3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.138 17.005 4.282 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.504 17.499 2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.711 17.793 4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.330 16.319 3.361 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.323 14.321 4.423 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.448 14.190 6.180 1.00 0.00 H new ATOM 1040 N LYS A 71 4.747 15.452 0.486 1.00 0.00 N ATOM 1041 CA LYS A 71 4.152 15.275 -0.832 1.00 0.00 C ATOM 1042 C LYS A 71 4.028 13.795 -1.179 1.00 0.00 C ATOM 1043 O LYS A 71 2.988 13.346 -1.660 1.00 0.00 O ATOM 1044 CB LYS A 71 4.992 15.990 -1.893 1.00 0.00 C ATOM 1045 CG LYS A 71 4.770 17.491 -1.936 1.00 0.00 C ATOM 1046 CD LYS A 71 3.297 17.833 -2.089 1.00 0.00 C ATOM 1047 CE LYS A 71 3.102 19.283 -2.504 1.00 0.00 C ATOM 1048 NZ LYS A 71 1.659 19.642 -2.603 1.00 0.00 N ATOM 0 H LYS A 71 5.698 15.821 0.473 1.00 0.00 H new ATOM 0 HA LYS A 71 3.153 15.710 -0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.047 15.793 -1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.761 15.569 -2.871 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.156 17.943 -1.023 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.332 17.919 -2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.845 17.177 -2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.780 17.650 -1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.590 19.937 -1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.586 19.454 -3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.568 20.638 -2.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.198 19.036 -3.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.203 19.503 -1.679 1.00 0.00 H new ATOM 1062 N GLU A 72 5.094 13.042 -0.930 1.00 0.00 N ATOM 1063 CA GLU A 72 5.103 11.612 -1.215 1.00 0.00 C ATOM 1064 C GLU A 72 4.414 10.830 -0.101 1.00 0.00 C ATOM 1065 O GLU A 72 3.353 10.240 -0.306 1.00 0.00 O ATOM 1066 CB GLU A 72 6.539 11.113 -1.391 1.00 0.00 C ATOM 1067 CG GLU A 72 7.421 12.061 -2.187 1.00 0.00 C ATOM 1068 CD GLU A 72 8.883 11.964 -1.796 1.00 0.00 C ATOM 1069 OE1 GLU A 72 9.164 11.574 -0.644 1.00 0.00 O ATOM 1070 OE2 GLU A 72 9.745 12.279 -2.643 1.00 0.00 O ATOM 0 H GLU A 72 5.963 13.398 -0.531 1.00 0.00 H new ATOM 0 HA GLU A 72 4.553 11.450 -2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.983 10.957 -0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.519 10.144 -1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.318 11.842 -3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.076 13.084 -2.038 1.00 0.00 H new ATOM 1077 N VAL A 73 5.025 10.831 1.079 1.00 0.00 N ATOM 1078 CA VAL A 73 4.471 10.123 2.227 1.00 0.00 C ATOM 1079 C VAL A 73 2.948 10.193 2.233 1.00 0.00 C ATOM 1080 O VAL A 73 2.277 9.280 2.714 1.00 0.00 O ATOM 1081 CB VAL A 73 5.006 10.699 3.553 1.00 0.00 C ATOM 1082 CG1 VAL A 73 4.439 9.928 4.735 1.00 0.00 C ATOM 1083 CG2 VAL A 73 6.527 10.674 3.569 1.00 0.00 C ATOM 0 H VAL A 73 5.904 11.314 1.265 1.00 0.00 H new ATOM 0 HA VAL A 73 4.784 9.083 2.139 1.00 0.00 H new ATOM 0 HB VAL A 73 4.682 11.736 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.827 10.348 5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.352 10.002 4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.732 8.881 4.660 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.888 11.084 4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.875 9.647 3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.909 11.273 2.743 1.00 0.00 H new ATOM 1093 N ALA A 74 2.410 11.282 1.696 1.00 0.00 N ATOM 1094 CA ALA A 74 0.965 11.470 1.637 1.00 0.00 C ATOM 1095 C ALA A 74 0.375 10.808 0.396 1.00 0.00 C ATOM 1096 O ALA A 74 -0.667 10.158 0.463 1.00 0.00 O ATOM 1097 CB ALA A 74 0.625 12.953 1.658 1.00 0.00 C ATOM 0 H ALA A 74 2.952 12.048 1.296 1.00 0.00 H new ATOM 0 HA ALA A 74 0.526 10.995 2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.457 13.079 1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.005 13.400 2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.083 13.443 0.799 1.00 0.00 H new ATOM 1103 N ALA A 75 1.049 10.979 -0.737 1.00 0.00 N ATOM 1104 CA ALA A 75 0.592 10.397 -1.993 1.00 0.00 C ATOM 1105 C ALA A 75 0.753 8.881 -1.986 1.00 0.00 C ATOM 1106 O ALA A 75 -0.195 8.145 -2.261 1.00 0.00 O ATOM 1107 CB ALA A 75 1.352 11.005 -3.163 1.00 0.00 C ATOM 0 H ALA A 75 1.913 11.516 -0.811 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.468 10.623 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.001 10.562 -4.095 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.183 12.081 -3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.418 10.808 -3.046 1.00 0.00 H new ATOM 1113 N ALA A 76 1.959 8.420 -1.671 1.00 0.00 N ATOM 1114 CA ALA A 76 2.243 6.990 -1.627 1.00 0.00 C ATOM 1115 C ALA A 76 1.228 6.255 -0.759 1.00 0.00 C ATOM 1116 O ALA A 76 0.733 5.190 -1.130 1.00 0.00 O ATOM 1117 CB ALA A 76 3.654 6.748 -1.112 1.00 0.00 C ATOM 0 H ALA A 76 2.755 9.015 -1.443 1.00 0.00 H new ATOM 0 HA ALA A 76 2.166 6.598 -2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.852 5.677 -1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.371 7.233 -1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.751 7.161 -0.108 1.00 0.00 H new ATOM 1123 N LYS A 77 0.921 6.830 0.399 1.00 0.00 N ATOM 1124 CA LYS A 77 -0.036 6.230 1.322 1.00 0.00 C ATOM 1125 C LYS A 77 -1.340 5.889 0.607 1.00 0.00 C ATOM 1126 O LYS A 77 -1.985 4.887 0.917 1.00 0.00 O ATOM 1127 CB LYS A 77 -0.315 7.181 2.488 1.00 0.00 C ATOM 1128 CG LYS A 77 -0.567 6.468 3.806 1.00 0.00 C ATOM 1129 CD LYS A 77 -0.068 7.285 4.986 1.00 0.00 C ATOM 1130 CE LYS A 77 -1.071 8.356 5.386 1.00 0.00 C ATOM 1131 NZ LYS A 77 -1.134 9.459 4.387 1.00 0.00 N ATOM 0 H LYS A 77 1.321 7.711 0.721 1.00 0.00 H new ATOM 0 HA LYS A 77 0.398 5.308 1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.532 7.857 2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.182 7.796 2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.634 6.278 3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.069 5.498 3.797 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.119 6.625 5.833 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.883 7.753 4.730 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.058 7.907 5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.798 8.763 6.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.285 10.364 4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.241 9.498 3.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.921 9.287 3.729 1.00 0.00 H new ATOM 1145 N HIS A 78 -1.721 6.727 -0.351 1.00 0.00 N ATOM 1146 CA HIS A 78 -2.948 6.512 -1.112 1.00 0.00 C ATOM 1147 C HIS A 78 -2.802 5.318 -2.050 1.00 0.00 C ATOM 1148 O HIS A 78 -3.671 4.445 -2.099 1.00 0.00 O ATOM 1149 CB HIS A 78 -3.301 7.765 -1.914 1.00 0.00 C ATOM 1150 CG HIS A 78 -4.677 7.729 -2.504 1.00 0.00 C ATOM 1151 ND1 HIS A 78 -5.735 8.450 -1.992 1.00 0.00 N ATOM 1152 CD2 HIS A 78 -5.165 7.056 -3.572 1.00 0.00 C ATOM 1153 CE1 HIS A 78 -6.814 8.219 -2.717 1.00 0.00 C ATOM 1154 NE2 HIS A 78 -6.495 7.377 -3.683 1.00 0.00 N ATOM 0 H HIS A 78 -1.199 7.561 -0.619 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.752 6.302 -0.407 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.215 8.637 -1.266 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.574 7.890 -2.716 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.611 6.390 -4.217 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -7.792 8.646 -2.549 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.133 7.023 -4.396 1.00 0.00 H new ATOM 1162 N LEU A 79 -1.702 5.285 -2.793 1.00 0.00 N ATOM 1163 CA LEU A 79 -1.443 4.198 -3.730 1.00 0.00 C ATOM 1164 C LEU A 79 -1.470 2.849 -3.020 1.00 0.00 C ATOM 1165 O LEU A 79 -2.199 1.940 -3.420 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.091 4.399 -4.416 1.00 0.00 C ATOM 1167 CG LEU A 79 0.157 5.783 -5.017 1.00 0.00 C ATOM 1168 CD1 LEU A 79 1.591 5.903 -5.507 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -0.820 6.055 -6.151 1.00 0.00 C ATOM 0 H LEU A 79 -0.974 5.999 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.230 4.207 -4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.696 4.193 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.005 3.658 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.003 6.529 -4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.749 6.895 -5.931 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.275 5.753 -4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.779 5.148 -6.270 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.629 7.044 -6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.692 5.303 -6.930 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.840 6.013 -5.770 1.00 0.00 H new ATOM 1181 N ILE A 80 -0.674 2.726 -1.964 1.00 0.00 N ATOM 1182 CA ILE A 80 -0.610 1.489 -1.195 1.00 0.00 C ATOM 1183 C ILE A 80 -2.006 0.951 -0.902 1.00 0.00 C ATOM 1184 O ILE A 80 -2.251 -0.253 -0.989 1.00 0.00 O ATOM 1185 CB ILE A 80 0.141 1.691 0.134 1.00 0.00 C ATOM 1186 CG1 ILE A 80 1.636 1.887 -0.124 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -0.091 0.505 1.058 1.00 0.00 C ATOM 1188 CD1 ILE A 80 2.244 3.018 0.676 1.00 0.00 C ATOM 0 H ILE A 80 -0.064 3.468 -1.621 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.066 0.767 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.245 2.587 0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.162 0.962 0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.791 2.079 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.446 0.662 1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.157 0.407 1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.271 -0.405 0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.306 3.099 0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.744 3.953 0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.121 2.818 1.740 1.00 0.00 H new ATOM 1200 N LEU A 81 -2.920 1.850 -0.554 1.00 0.00 N ATOM 1201 CA LEU A 81 -4.294 1.467 -0.250 1.00 0.00 C ATOM 1202 C LEU A 81 -5.009 0.965 -1.499 1.00 0.00 C ATOM 1203 O LEU A 81 -5.725 -0.035 -1.457 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.055 2.652 0.347 1.00 0.00 C ATOM 1205 CG LEU A 81 -4.955 2.819 1.863 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.034 4.289 2.245 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -6.051 2.025 2.561 1.00 0.00 C ATOM 0 H LEU A 81 -2.734 2.850 -0.475 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.266 0.657 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.692 3.566 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.107 2.553 0.081 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.990 2.432 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.961 4.388 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.214 4.832 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.984 4.702 1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.964 2.156 3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.026 2.382 2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.948 0.968 2.314 1.00 0.00 H new ATOM 1219 N GLU A 82 -4.808 1.666 -2.612 1.00 0.00 N ATOM 1220 CA GLU A 82 -5.434 1.290 -3.874 1.00 0.00 C ATOM 1221 C GLU A 82 -5.273 -0.204 -4.138 1.00 0.00 C ATOM 1222 O GLU A 82 -6.072 -0.810 -4.852 1.00 0.00 O ATOM 1223 CB GLU A 82 -4.828 2.092 -5.028 1.00 0.00 C ATOM 1224 CG GLU A 82 -5.081 3.587 -4.930 1.00 0.00 C ATOM 1225 CD GLU A 82 -5.077 4.269 -6.285 1.00 0.00 C ATOM 1226 OE1 GLU A 82 -6.142 4.300 -6.936 1.00 0.00 O ATOM 1227 OE2 GLU A 82 -4.010 4.770 -6.693 1.00 0.00 O ATOM 0 H GLU A 82 -4.217 2.496 -2.664 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.498 1.516 -3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.753 1.915 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.237 1.724 -5.969 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.042 3.758 -4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.318 4.040 -4.297 1.00 0.00 H new ATOM 1234 N LYS A 83 -4.232 -0.792 -3.557 1.00 0.00 N ATOM 1235 CA LYS A 83 -3.965 -2.215 -3.727 1.00 0.00 C ATOM 1236 C LYS A 83 -4.663 -3.034 -2.646 1.00 0.00 C ATOM 1237 O LYS A 83 -5.189 -4.114 -2.914 1.00 0.00 O ATOM 1238 CB LYS A 83 -2.457 -2.480 -3.687 1.00 0.00 C ATOM 1239 CG LYS A 83 -1.760 -2.226 -5.012 1.00 0.00 C ATOM 1240 CD LYS A 83 -1.638 -0.739 -5.301 1.00 0.00 C ATOM 1241 CE LYS A 83 -1.098 -0.485 -6.700 1.00 0.00 C ATOM 1242 NZ LYS A 83 -2.177 -0.517 -7.726 1.00 0.00 N ATOM 0 H LYS A 83 -3.560 -0.305 -2.964 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.357 -2.518 -4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.006 -1.849 -2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.286 -3.514 -3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.768 -2.677 -4.995 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.316 -2.709 -5.815 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.614 -0.266 -5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.979 -0.277 -4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.600 0.484 -6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.346 -1.236 -6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.768 -0.340 -8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.635 -1.450 -7.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.882 0.217 -7.511 1.00 0.00 H new ATOM 1256 N VAL A 84 -4.667 -2.511 -1.424 1.00 0.00 N ATOM 1257 CA VAL A 84 -5.305 -3.192 -0.303 1.00 0.00 C ATOM 1258 C VAL A 84 -6.784 -3.438 -0.579 1.00 0.00 C ATOM 1259 O VAL A 84 -7.320 -4.496 -0.249 1.00 0.00 O ATOM 1260 CB VAL A 84 -5.165 -2.382 1.000 1.00 0.00 C ATOM 1261 CG1 VAL A 84 -5.936 -3.048 2.128 1.00 0.00 C ATOM 1262 CG2 VAL A 84 -3.698 -2.218 1.368 1.00 0.00 C ATOM 0 H VAL A 84 -4.236 -1.618 -1.185 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.796 -4.149 -0.184 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.589 -1.391 0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.825 -2.462 3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.991 -3.109 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.545 -4.052 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.616 -1.644 2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.247 -3.200 1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.178 -1.693 0.567 1.00 0.00 H new ATOM 1272 N SER A 85 -7.438 -2.455 -1.187 1.00 0.00 N ATOM 1273 CA SER A 85 -8.858 -2.563 -1.505 1.00 0.00 C ATOM 1274 C SER A 85 -9.085 -3.547 -2.649 1.00 0.00 C ATOM 1275 O SER A 85 -10.079 -4.271 -2.669 1.00 0.00 O ATOM 1276 CB SER A 85 -9.425 -1.191 -1.875 1.00 0.00 C ATOM 1277 OG SER A 85 -10.075 -0.592 -0.768 1.00 0.00 O ATOM 0 H SER A 85 -7.008 -1.574 -1.470 1.00 0.00 H new ATOM 0 HA SER A 85 -9.376 -2.935 -0.621 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.620 -0.543 -2.222 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.129 -1.296 -2.701 1.00 0.00 H new ATOM 0 HG SER A 85 -10.427 0.284 -1.030 1.00 0.00 H new ATOM 1283 N GLU A 86 -8.155 -3.564 -3.599 1.00 0.00 N ATOM 1284 CA GLU A 86 -8.254 -4.458 -4.747 1.00 0.00 C ATOM 1285 C GLU A 86 -8.337 -5.914 -4.298 1.00 0.00 C ATOM 1286 O GLU A 86 -9.286 -6.624 -4.626 1.00 0.00 O ATOM 1287 CB GLU A 86 -7.053 -4.265 -5.676 1.00 0.00 C ATOM 1288 CG GLU A 86 -7.331 -3.335 -6.844 1.00 0.00 C ATOM 1289 CD GLU A 86 -7.619 -4.084 -8.131 1.00 0.00 C ATOM 1290 OE1 GLU A 86 -8.772 -4.522 -8.318 1.00 0.00 O ATOM 1291 OE2 GLU A 86 -6.688 -4.232 -8.952 1.00 0.00 O ATOM 0 H GLU A 86 -7.326 -2.970 -3.596 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.167 -4.212 -5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.217 -3.870 -5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.743 -5.236 -6.062 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.181 -2.697 -6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.473 -2.680 -6.994 1.00 0.00 H new ATOM 1298 N ASP A 87 -7.332 -6.352 -3.546 1.00 0.00 N ATOM 1299 CA ASP A 87 -7.290 -7.723 -3.051 1.00 0.00 C ATOM 1300 C ASP A 87 -8.458 -7.997 -2.109 1.00 0.00 C ATOM 1301 O ASP A 87 -8.994 -9.105 -2.077 1.00 0.00 O ATOM 1302 CB ASP A 87 -5.966 -7.987 -2.331 1.00 0.00 C ATOM 1303 CG ASP A 87 -5.648 -9.466 -2.227 1.00 0.00 C ATOM 1304 OD1 ASP A 87 -6.353 -10.173 -1.476 1.00 0.00 O ATOM 1305 OD2 ASP A 87 -4.695 -9.917 -2.895 1.00 0.00 O ATOM 0 H ASP A 87 -6.537 -5.778 -3.266 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.371 -8.394 -3.906 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.160 -7.482 -2.863 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.008 -7.556 -1.331 1.00 0.00 H new ATOM 1310 N GLU A 88 -8.847 -6.982 -1.345 1.00 0.00 N ATOM 1311 CA GLU A 88 -9.951 -7.115 -0.402 1.00 0.00 C ATOM 1312 C GLU A 88 -11.204 -7.636 -1.099 1.00 0.00 C ATOM 1313 O GLU A 88 -11.913 -8.490 -0.568 1.00 0.00 O ATOM 1314 CB GLU A 88 -10.247 -5.770 0.265 1.00 0.00 C ATOM 1315 CG GLU A 88 -11.567 -5.740 1.016 1.00 0.00 C ATOM 1316 CD GLU A 88 -11.385 -5.574 2.512 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -10.815 -6.487 3.145 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -11.812 -4.530 3.048 1.00 0.00 O ATOM 0 H GLU A 88 -8.414 -6.058 -1.360 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.656 -7.834 0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.439 -5.532 0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.254 -4.990 -0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.178 -4.922 0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.113 -6.663 0.821 1.00 0.00 H new ATOM 1325 N GLU A 89 -11.469 -7.114 -2.293 1.00 0.00 N ATOM 1326 CA GLU A 89 -12.637 -7.525 -3.064 1.00 0.00 C ATOM 1327 C GLU A 89 -12.311 -8.730 -3.942 1.00 0.00 C ATOM 1328 O GLU A 89 -13.105 -9.666 -4.051 1.00 0.00 O ATOM 1329 CB GLU A 89 -13.137 -6.368 -3.930 1.00 0.00 C ATOM 1330 CG GLU A 89 -14.568 -5.956 -3.628 1.00 0.00 C ATOM 1331 CD GLU A 89 -15.266 -5.348 -4.828 1.00 0.00 C ATOM 1332 OE1 GLU A 89 -14.758 -5.513 -5.958 1.00 0.00 O ATOM 1333 OE2 GLU A 89 -16.320 -4.706 -4.638 1.00 0.00 O ATOM 0 H GLU A 89 -10.891 -6.406 -2.747 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.422 -7.809 -2.364 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.482 -5.508 -3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -13.064 -6.653 -4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -15.129 -6.827 -3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.570 -5.237 -2.809 1.00 0.00 H new ATOM 1340 N LEU A 90 -11.140 -8.698 -4.570 1.00 0.00 N ATOM 1341 CA LEU A 90 -10.709 -9.786 -5.442 1.00 0.00 C ATOM 1342 C LEU A 90 -10.867 -11.134 -4.746 1.00 0.00 C ATOM 1343 O LEU A 90 -11.219 -12.132 -5.377 1.00 0.00 O ATOM 1344 CB LEU A 90 -9.253 -9.582 -5.861 1.00 0.00 C ATOM 1345 CG LEU A 90 -8.265 -10.654 -5.397 1.00 0.00 C ATOM 1346 CD1 LEU A 90 -8.400 -11.908 -6.248 1.00 0.00 C ATOM 1347 CD2 LEU A 90 -6.840 -10.123 -5.449 1.00 0.00 C ATOM 0 H LEU A 90 -10.472 -7.931 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.340 -9.780 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.213 -9.526 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.918 -8.618 -5.480 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.498 -10.914 -4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.690 -12.660 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.413 -12.300 -6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.194 -11.664 -7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.150 -10.898 -5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.596 -9.836 -6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.751 -9.254 -4.797 1.00 0.00 H new ATOM 1359 N ARG A 91 -10.607 -11.157 -3.444 1.00 0.00 N ATOM 1360 CA ARG A 91 -10.721 -12.383 -2.663 1.00 0.00 C ATOM 1361 C ARG A 91 -12.180 -12.686 -2.335 1.00 0.00 C ATOM 1362 O ARG A 91 -12.537 -13.824 -2.033 1.00 0.00 O ATOM 1363 CB ARG A 91 -9.911 -12.267 -1.369 1.00 0.00 C ATOM 1364 CG ARG A 91 -8.507 -12.838 -1.478 1.00 0.00 C ATOM 1365 CD ARG A 91 -7.843 -12.948 -0.114 1.00 0.00 C ATOM 1366 NE ARG A 91 -6.419 -13.250 -0.221 1.00 0.00 N ATOM 1367 CZ ARG A 91 -5.937 -14.478 -0.377 1.00 0.00 C ATOM 1368 NH1 ARG A 91 -6.762 -15.513 -0.446 1.00 0.00 N ATOM 1369 NH2 ARG A 91 -4.627 -14.672 -0.466 1.00 0.00 N ATOM 0 H ARG A 91 -10.316 -10.340 -2.907 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.323 -13.202 -3.262 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.846 -11.217 -1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.443 -12.783 -0.569 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.549 -13.822 -1.944 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.904 -12.203 -2.127 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.975 -12.013 0.430 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.336 -13.727 0.467 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.757 -12.475 -0.173 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.769 -15.368 -0.379 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.390 -16.455 -0.566 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.989 -13.878 -0.415 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.258 -15.615 -0.586 1.00 0.00 H new ATOM 1383 N LYS A 92 -13.020 -11.658 -2.398 1.00 0.00 N ATOM 1384 CA LYS A 92 -14.442 -11.813 -2.109 1.00 0.00 C ATOM 1385 C LYS A 92 -15.210 -12.214 -3.363 1.00 0.00 C ATOM 1386 O LYS A 92 -16.211 -12.929 -3.287 1.00 0.00 O ATOM 1387 CB LYS A 92 -15.012 -10.510 -1.543 1.00 0.00 C ATOM 1388 CG LYS A 92 -14.584 -10.229 -0.113 1.00 0.00 C ATOM 1389 CD LYS A 92 -15.779 -9.946 0.782 1.00 0.00 C ATOM 1390 CE LYS A 92 -15.473 -8.851 1.791 1.00 0.00 C ATOM 1391 NZ LYS A 92 -16.577 -7.855 1.880 1.00 0.00 N ATOM 0 H LYS A 92 -12.741 -10.709 -2.646 1.00 0.00 H new ATOM 0 HA LYS A 92 -14.554 -12.604 -1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -14.698 -9.681 -2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -16.100 -10.550 -1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -14.031 -11.084 0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -13.906 -9.376 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -16.631 -9.650 0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -16.065 -10.857 1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -15.306 -9.297 2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -14.549 -8.345 1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -16.330 -7.125 2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -16.720 -7.411 0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -17.453 -8.333 2.173 1.00 0.00 H new ATOM 1405 N ARG A 93 -14.738 -11.752 -4.516 1.00 0.00 N ATOM 1406 CA ARG A 93 -15.381 -12.064 -5.786 1.00 0.00 C ATOM 1407 C ARG A 93 -15.215 -13.541 -6.131 1.00 0.00 C ATOM 1408 O ARG A 93 -16.008 -14.105 -6.886 1.00 0.00 O ATOM 1409 CB ARG A 93 -14.795 -11.200 -6.904 1.00 0.00 C ATOM 1410 CG ARG A 93 -15.010 -9.710 -6.697 1.00 0.00 C ATOM 1411 CD ARG A 93 -14.973 -8.954 -8.016 1.00 0.00 C ATOM 1412 NE ARG A 93 -16.224 -9.086 -8.758 1.00 0.00 N ATOM 1413 CZ ARG A 93 -16.529 -8.351 -9.822 1.00 0.00 C ATOM 1414 NH1 ARG A 93 -15.677 -7.438 -10.267 1.00 0.00 N ATOM 1415 NH2 ARG A 93 -17.687 -8.531 -10.444 1.00 0.00 N ATOM 0 H ARG A 93 -13.912 -11.160 -4.597 1.00 0.00 H new ATOM 0 HA ARG A 93 -16.445 -11.848 -5.688 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -13.726 -11.397 -6.982 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -15.243 -11.495 -7.853 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -15.970 -9.544 -6.208 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -14.241 -9.319 -6.031 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -14.775 -7.899 -7.824 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -14.149 -9.327 -8.625 1.00 0.00 H new ATOM 0 HE ARG A 93 -16.901 -9.781 -8.442 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -14.785 -7.299 -9.792 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -15.913 -6.875 -11.084 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -18.344 -9.234 -10.105 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -17.920 -7.966 -11.261 1.00 0.00 H new ATOM 1429 N ILE A 94 -14.181 -14.162 -5.573 1.00 0.00 N ATOM 1430 CA ILE A 94 -13.912 -15.573 -5.821 1.00 0.00 C ATOM 1431 C ILE A 94 -14.527 -16.449 -4.735 1.00 0.00 C ATOM 1432 O ILE A 94 -14.991 -17.557 -5.004 1.00 0.00 O ATOM 1433 CB ILE A 94 -12.400 -15.854 -5.897 1.00 0.00 C ATOM 1434 CG1 ILE A 94 -11.717 -14.840 -6.817 1.00 0.00 C ATOM 1435 CG2 ILE A 94 -12.149 -17.273 -6.382 1.00 0.00 C ATOM 1436 CD1 ILE A 94 -10.208 -14.853 -6.716 1.00 0.00 C ATOM 0 H ILE A 94 -13.516 -13.710 -4.946 1.00 0.00 H new ATOM 0 HA ILE A 94 -14.366 -15.816 -6.781 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.975 -15.753 -4.898 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.006 -15.045 -7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -12.081 -13.841 -6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -11.076 -17.456 -6.430 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -12.607 -17.980 -5.691 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.584 -17.401 -7.373 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.791 -14.110 -7.396 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.910 -14.618 -5.694 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.834 -15.841 -6.985 1.00 0.00 H new ATOM 1448 N ALA A 95 -14.528 -15.943 -3.505 1.00 0.00 N ATOM 1449 CA ALA A 95 -15.090 -16.677 -2.378 1.00 0.00 C ATOM 1450 C ALA A 95 -16.605 -16.524 -2.323 1.00 0.00 C ATOM 1451 O ALA A 95 -17.336 -17.509 -2.214 1.00 0.00 O ATOM 1452 CB ALA A 95 -14.461 -16.206 -1.075 1.00 0.00 C ATOM 0 H ALA A 95 -14.146 -15.028 -3.265 1.00 0.00 H new ATOM 0 HA ALA A 95 -14.864 -17.734 -2.516 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -14.890 -16.763 -0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -13.385 -16.375 -1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -14.657 -15.142 -0.940 1.00 0.00 H new ATOM 1458 N HIS A 96 -17.073 -15.282 -2.398 1.00 0.00 N ATOM 1459 CA HIS A 96 -18.503 -14.999 -2.355 1.00 0.00 C ATOM 1460 C HIS A 96 -19.186 -15.813 -1.260 1.00 0.00 C ATOM 1461 O HIS A 96 -19.622 -16.940 -1.490 1.00 0.00 O ATOM 1462 CB HIS A 96 -19.145 -15.306 -3.709 1.00 0.00 C ATOM 1463 CG HIS A 96 -19.146 -16.763 -4.055 1.00 0.00 C ATOM 1464 ND1 HIS A 96 -20.225 -17.590 -3.829 1.00 0.00 N ATOM 1465 CD2 HIS A 96 -18.190 -17.540 -4.616 1.00 0.00 C ATOM 1466 CE1 HIS A 96 -19.933 -18.813 -4.234 1.00 0.00 C ATOM 1467 NE2 HIS A 96 -18.704 -18.809 -4.717 1.00 0.00 N ATOM 0 H HIS A 96 -16.482 -14.455 -2.489 1.00 0.00 H new ATOM 0 HA HIS A 96 -18.632 -13.940 -2.130 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -20.172 -14.941 -3.706 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -18.614 -14.757 -4.486 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -17.206 -17.221 -4.926 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -20.588 -19.670 -4.179 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -18.216 -19.617 -5.102 1.00 0.00 H new ATOM 1475 N SER A 97 -19.273 -15.232 -0.067 1.00 0.00 N ATOM 1476 CA SER A 97 -19.898 -15.906 1.066 1.00 0.00 C ATOM 1477 C SER A 97 -21.318 -15.394 1.286 1.00 0.00 C ATOM 1478 O SER A 97 -21.560 -14.550 2.148 1.00 0.00 O ATOM 1479 CB SER A 97 -19.067 -15.696 2.333 1.00 0.00 C ATOM 1480 OG SER A 97 -18.015 -16.642 2.415 1.00 0.00 O ATOM 0 H SER A 97 -18.919 -14.298 0.140 1.00 0.00 H new ATOM 0 HA SER A 97 -19.944 -16.972 0.843 1.00 0.00 H new ATOM 0 HB2 SER A 97 -18.654 -14.687 2.338 1.00 0.00 H new ATOM 0 HB3 SER A 97 -19.708 -15.783 3.211 1.00 0.00 H new ATOM 0 HG SER A 97 -17.498 -16.486 3.232 1.00 0.00 H new ATOM 1486 N ALA A 98 -22.255 -15.912 0.498 1.00 0.00 N ATOM 1487 CA ALA A 98 -23.653 -15.509 0.607 1.00 0.00 C ATOM 1488 C ALA A 98 -23.787 -13.991 0.622 1.00 0.00 C ATOM 1489 O ALA A 98 -24.571 -13.436 1.392 1.00 0.00 O ATOM 1490 CB ALA A 98 -24.279 -16.109 1.857 1.00 0.00 C ATOM 0 H ALA A 98 -22.072 -16.611 -0.222 1.00 0.00 H new ATOM 0 HA ALA A 98 -24.183 -15.885 -0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -25.322 -15.800 1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -24.225 -17.196 1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -23.739 -15.761 2.737 1.00 0.00 H new ATOM 1496 N SER A 99 -23.017 -13.324 -0.231 1.00 0.00 N ATOM 1497 CA SER A 99 -23.047 -11.869 -0.312 1.00 0.00 C ATOM 1498 C SER A 99 -22.556 -11.390 -1.675 1.00 0.00 C ATOM 1499 O SER A 99 -22.035 -12.172 -2.469 1.00 0.00 O ATOM 1500 CB SER A 99 -22.186 -11.258 0.795 1.00 0.00 C ATOM 1501 OG SER A 99 -22.882 -10.224 1.471 1.00 0.00 O ATOM 0 H SER A 99 -22.364 -13.769 -0.876 1.00 0.00 H new ATOM 0 HA SER A 99 -24.079 -11.544 -0.182 1.00 0.00 H new ATOM 0 HB2 SER A 99 -21.899 -12.033 1.506 1.00 0.00 H new ATOM 0 HB3 SER A 99 -21.265 -10.861 0.367 1.00 0.00 H new ATOM 0 HG SER A 99 -22.311 -9.851 2.175 1.00 0.00 H new ATOM 1507 N GLY A 100 -22.729 -10.099 -1.940 1.00 0.00 N ATOM 1508 CA GLY A 100 -22.300 -9.536 -3.207 1.00 0.00 C ATOM 1509 C GLY A 100 -23.298 -8.543 -3.769 1.00 0.00 C ATOM 1510 O GLY A 100 -24.011 -8.826 -4.731 1.00 0.00 O ATOM 0 H GLY A 100 -23.159 -9.432 -1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -21.337 -9.043 -3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -22.149 -10.341 -3.926 1.00 0.00 H new ATOM 1514 N PRO A 101 -23.358 -7.350 -3.159 1.00 0.00 N ATOM 1515 CA PRO A 101 -24.274 -6.288 -3.587 1.00 0.00 C ATOM 1516 C PRO A 101 -23.879 -5.691 -4.933 1.00 0.00 C ATOM 1517 O PRO A 101 -23.140 -4.709 -4.993 1.00 0.00 O ATOM 1518 CB PRO A 101 -24.145 -5.241 -2.478 1.00 0.00 C ATOM 1519 CG PRO A 101 -22.791 -5.467 -1.898 1.00 0.00 C ATOM 1520 CD PRO A 101 -22.536 -6.946 -2.006 1.00 0.00 C ATOM 0 HA PRO A 101 -25.290 -6.657 -3.727 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -24.242 -4.230 -2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -24.924 -5.364 -1.725 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -22.034 -4.900 -2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -22.752 -5.139 -0.859 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -21.480 -7.161 -2.170 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -22.831 -7.472 -1.098 1.00 0.00 H new ATOM 1528 N SER A 102 -24.378 -6.288 -6.010 1.00 0.00 N ATOM 1529 CA SER A 102 -24.075 -5.816 -7.356 1.00 0.00 C ATOM 1530 C SER A 102 -25.356 -5.497 -8.121 1.00 0.00 C ATOM 1531 O SER A 102 -25.821 -6.294 -8.934 1.00 0.00 O ATOM 1532 CB SER A 102 -23.262 -6.866 -8.116 1.00 0.00 C ATOM 1533 OG SER A 102 -21.925 -6.912 -7.649 1.00 0.00 O ATOM 0 H SER A 102 -24.994 -7.100 -5.977 1.00 0.00 H new ATOM 0 HA SER A 102 -23.486 -4.903 -7.270 1.00 0.00 H new ATOM 0 HB2 SER A 102 -23.726 -7.845 -7.998 1.00 0.00 H new ATOM 0 HB3 SER A 102 -23.271 -6.636 -9.181 1.00 0.00 H new ATOM 0 HG SER A 102 -21.427 -7.592 -8.149 1.00 0.00 H new ATOM 1539 N SER A 103 -25.920 -4.324 -7.853 1.00 0.00 N ATOM 1540 CA SER A 103 -27.149 -3.898 -8.513 1.00 0.00 C ATOM 1541 C SER A 103 -26.945 -2.572 -9.240 1.00 0.00 C ATOM 1542 O SER A 103 -27.576 -2.309 -10.263 1.00 0.00 O ATOM 1543 CB SER A 103 -28.280 -3.764 -7.492 1.00 0.00 C ATOM 1544 OG SER A 103 -27.801 -3.236 -6.267 1.00 0.00 O ATOM 0 H SER A 103 -25.546 -3.651 -7.184 1.00 0.00 H new ATOM 0 HA SER A 103 -27.419 -4.657 -9.248 1.00 0.00 H new ATOM 0 HB2 SER A 103 -29.060 -3.115 -7.891 1.00 0.00 H new ATOM 0 HB3 SER A 103 -28.735 -4.739 -7.318 1.00 0.00 H new ATOM 0 HG SER A 103 -28.543 -3.158 -5.632 1.00 0.00 H new ATOM 1550 N GLY A 104 -26.057 -1.741 -8.703 1.00 0.00 N ATOM 1551 CA GLY A 104 -25.784 -0.453 -9.313 1.00 0.00 C ATOM 1552 C GLY A 104 -24.511 -0.459 -10.136 1.00 0.00 C ATOM 1553 O GLY A 104 -23.460 -0.888 -9.660 1.00 0.00 O ATOM 0 H GLY A 104 -25.522 -1.937 -7.857 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -26.623 -0.171 -9.949 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -25.706 0.305 -8.534 1.00 0.00 H new TER 1557 GLY A 104