USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 602 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 32 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= 0.00108 USER MOD Set 2.2: A 24 THR OG1 : rot -107:sc=0.000583 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 100:sc= 0.753 USER MOD Single : A 8 LYS NZ :NH3+ -135:sc= 0.633 (180deg=0.0121) USER MOD Single : A 9 THR OG1 : rot 47:sc= 0.353 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -1.03 K(o=-1,f=-0.34) USER MOD Single : A 16 LYS NZ :NH3+ 177:sc= -0.0371 (180deg=-0.0487) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 26 SER OG : rot -99:sc= 0.407 USER MOD Single : A 33 SER OG : rot -160:sc= -1.74 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -161:sc= -0.945 (180deg=-1.8!) USER MOD Single : A 47 SER OG : rot 104:sc= 0.537 USER MOD Single : A 48 HIS : no HD1:sc= -0.316 X(o=-0.32,f=-0.01) USER MOD Single : A 49 LYS NZ :NH3+ -141:sc= 0.0962 (180deg=-0.484) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= 0.773 (180deg=0.659) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.395 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.13) USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= -0.0419 (180deg=-0.253) USER MOD Single : A 69 TYR OH : rot -154:sc= 0.897 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.277 16.143 7.723 1.00 0.00 N ATOM 2 CA SER A 1 -0.506 14.674 7.656 1.00 0.00 C ATOM 3 C SER A 1 0.548 13.998 6.781 1.00 0.00 C ATOM 4 O SER A 1 0.606 14.233 5.571 1.00 0.00 O ATOM 5 CB SER A 1 -1.907 14.381 7.109 1.00 0.00 C ATOM 6 OG SER A 1 -2.159 12.986 7.058 1.00 0.00 O ATOM 0 H1 SER A 1 -1.005 16.581 8.323 1.00 0.00 H new ATOM 0 H2 SER A 1 0.663 16.330 8.127 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.329 16.546 6.766 1.00 0.00 H new ATOM 0 HA SER A 1 -0.426 14.271 8.666 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.654 14.865 7.738 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.007 14.807 6.111 1.00 0.00 H new ATOM 0 HG SER A 1 -3.060 12.829 6.707 1.00 0.00 H new ATOM 14 N ASP A 2 1.381 13.161 7.400 1.00 0.00 N ATOM 15 CA ASP A 2 2.435 12.452 6.678 1.00 0.00 C ATOM 16 C ASP A 2 2.081 10.975 6.506 1.00 0.00 C ATOM 17 O ASP A 2 1.324 10.411 7.298 1.00 0.00 O ATOM 18 CB ASP A 2 3.769 12.591 7.418 1.00 0.00 C ATOM 19 CG ASP A 2 4.962 12.229 6.552 1.00 0.00 C ATOM 20 OD1 ASP A 2 5.347 11.040 6.535 1.00 0.00 O ATOM 21 OD2 ASP A 2 5.511 13.136 5.891 1.00 0.00 O ATOM 0 H ASP A 2 1.346 12.958 8.399 1.00 0.00 H new ATOM 0 HA ASP A 2 2.529 12.899 5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.879 13.617 7.770 1.00 0.00 H new ATOM 0 HB3 ASP A 2 3.758 11.951 8.300 1.00 0.00 H new ATOM 26 N VAL A 3 2.638 10.360 5.462 1.00 0.00 N ATOM 27 CA VAL A 3 2.393 8.947 5.167 1.00 0.00 C ATOM 28 C VAL A 3 2.862 8.043 6.312 1.00 0.00 C ATOM 29 O VAL A 3 2.215 7.041 6.619 1.00 0.00 O ATOM 30 CB VAL A 3 3.092 8.520 3.855 1.00 0.00 C ATOM 31 CG1 VAL A 3 4.607 8.554 4.002 1.00 0.00 C ATOM 32 CG2 VAL A 3 2.620 7.138 3.416 1.00 0.00 C ATOM 0 H VAL A 3 3.265 10.821 4.803 1.00 0.00 H new ATOM 0 HA VAL A 3 1.315 8.832 5.050 1.00 0.00 H new ATOM 0 HB VAL A 3 2.817 9.236 3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.071 8.249 3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.926 9.566 4.252 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.911 7.871 4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.125 6.858 2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.855 6.410 4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.543 7.157 3.250 1.00 0.00 H new ATOM 42 N TRP A 4 3.982 8.406 6.942 1.00 0.00 N ATOM 43 CA TRP A 4 4.528 7.620 8.047 1.00 0.00 C ATOM 44 C TRP A 4 3.783 7.923 9.348 1.00 0.00 C ATOM 45 O TRP A 4 3.509 7.014 10.133 1.00 0.00 O ATOM 46 CB TRP A 4 6.024 7.904 8.218 1.00 0.00 C ATOM 47 CG TRP A 4 6.877 6.671 8.201 1.00 0.00 C ATOM 48 CD1 TRP A 4 6.699 5.538 8.943 1.00 0.00 C ATOM 49 CD2 TRP A 4 8.052 6.454 7.411 1.00 0.00 C ATOM 50 NE1 TRP A 4 7.689 4.628 8.657 1.00 0.00 N ATOM 51 CE2 TRP A 4 8.531 5.167 7.721 1.00 0.00 C ATOM 52 CE3 TRP A 4 8.742 7.221 6.470 1.00 0.00 C ATOM 53 CZ2 TRP A 4 9.670 4.634 7.122 1.00 0.00 C ATOM 54 CZ3 TRP A 4 9.873 6.691 5.877 1.00 0.00 C ATOM 55 CH2 TRP A 4 10.327 5.407 6.206 1.00 0.00 C ATOM 0 H TRP A 4 4.525 9.236 6.706 1.00 0.00 H new ATOM 0 HA TRP A 4 4.395 6.564 7.811 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.351 8.573 7.422 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.180 8.430 9.160 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.898 5.380 9.650 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.781 3.702 9.074 1.00 0.00 H new ATOM 0 HE3 TRP A 4 8.398 8.211 6.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 10.022 3.644 7.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 10.415 7.276 5.149 1.00 0.00 H new ATOM 0 HH2 TRP A 4 11.214 5.020 5.726 1.00 0.00 H new ATOM 66 N SER A 5 3.463 9.201 9.576 1.00 0.00 N ATOM 67 CA SER A 5 2.725 9.606 10.774 1.00 0.00 C ATOM 68 C SER A 5 1.362 8.917 10.810 1.00 0.00 C ATOM 69 O SER A 5 1.021 8.251 11.790 1.00 0.00 O ATOM 70 CB SER A 5 2.547 11.127 10.805 1.00 0.00 C ATOM 71 OG SER A 5 3.793 11.787 10.962 1.00 0.00 O ATOM 0 H SER A 5 3.703 9.969 8.949 1.00 0.00 H new ATOM 0 HA SER A 5 3.297 9.305 11.652 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.071 11.459 9.882 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.882 11.401 11.624 1.00 0.00 H new ATOM 0 HG SER A 5 3.650 12.756 10.977 1.00 0.00 H new ATOM 77 N LEU A 6 0.589 9.080 9.735 1.00 0.00 N ATOM 78 CA LEU A 6 -0.733 8.469 9.635 1.00 0.00 C ATOM 79 C LEU A 6 -0.627 7.106 8.957 1.00 0.00 C ATOM 80 O LEU A 6 -0.766 6.995 7.737 1.00 0.00 O ATOM 81 CB LEU A 6 -1.694 9.377 8.851 1.00 0.00 C ATOM 82 CG LEU A 6 -2.193 10.622 9.597 1.00 0.00 C ATOM 83 CD1 LEU A 6 -2.938 10.229 10.865 1.00 0.00 C ATOM 84 CD2 LEU A 6 -1.037 11.558 9.922 1.00 0.00 C ATOM 0 H LEU A 6 0.859 9.632 8.921 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.130 8.337 10.641 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.195 9.700 7.937 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.559 8.786 8.550 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.886 11.152 8.944 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.283 11.127 11.378 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.795 9.608 10.606 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.270 9.670 11.521 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.415 12.433 10.451 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.314 11.039 10.551 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.553 11.873 8.998 1.00 0.00 H new ATOM 96 N SER A 7 -0.364 6.073 9.757 1.00 0.00 N ATOM 97 CA SER A 7 -0.222 4.715 9.237 1.00 0.00 C ATOM 98 C SER A 7 -1.242 3.740 9.841 1.00 0.00 C ATOM 99 O SER A 7 -1.164 2.534 9.606 1.00 0.00 O ATOM 100 CB SER A 7 1.203 4.208 9.482 1.00 0.00 C ATOM 101 OG SER A 7 2.138 4.910 8.683 1.00 0.00 O ATOM 0 H SER A 7 -0.245 6.151 10.767 1.00 0.00 H new ATOM 0 HA SER A 7 -0.420 4.758 8.166 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.458 4.326 10.535 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.257 3.142 9.259 1.00 0.00 H new ATOM 0 HG SER A 7 2.581 5.597 9.224 1.00 0.00 H new ATOM 107 N LYS A 8 -2.201 4.264 10.612 1.00 0.00 N ATOM 108 CA LYS A 8 -3.227 3.431 11.235 1.00 0.00 C ATOM 109 C LYS A 8 -4.562 3.541 10.489 1.00 0.00 C ATOM 110 O LYS A 8 -5.631 3.507 11.104 1.00 0.00 O ATOM 111 CB LYS A 8 -3.404 3.838 12.701 1.00 0.00 C ATOM 112 CG LYS A 8 -2.148 3.662 13.543 1.00 0.00 C ATOM 113 CD LYS A 8 -1.807 2.194 13.744 1.00 0.00 C ATOM 114 CE LYS A 8 -0.529 2.025 14.549 1.00 0.00 C ATOM 115 NZ LYS A 8 -0.282 0.604 14.917 1.00 0.00 N ATOM 0 H LYS A 8 -2.285 5.260 10.817 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.902 2.392 11.184 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.716 4.882 12.744 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.209 3.247 13.138 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.312 4.167 13.059 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.290 4.139 14.513 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.630 1.695 14.256 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.694 1.709 12.774 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.315 2.401 13.971 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.589 2.628 15.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.000 0.548 15.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.151 0.052 14.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.478 0.218 14.321 1.00 0.00 H new ATOM 129 N THR A 9 -4.495 3.660 9.160 1.00 0.00 N ATOM 130 CA THR A 9 -5.695 3.771 8.334 1.00 0.00 C ATOM 131 C THR A 9 -5.730 2.683 7.260 1.00 0.00 C ATOM 132 O THR A 9 -4.959 2.720 6.299 1.00 0.00 O ATOM 133 CB THR A 9 -5.793 5.155 7.657 1.00 0.00 C ATOM 134 OG1 THR A 9 -4.579 5.450 6.953 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.068 6.245 8.682 1.00 0.00 C ATOM 0 H THR A 9 -3.621 3.682 8.635 1.00 0.00 H new ATOM 0 HA THR A 9 -6.547 3.645 9.001 1.00 0.00 H new ATOM 0 HB THR A 9 -6.622 5.126 6.950 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.312 4.672 6.421 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.132 7.210 8.179 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.010 6.037 9.190 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.259 6.270 9.412 1.00 0.00 H new ATOM 143 N SER A 10 -6.626 1.714 7.438 1.00 0.00 N ATOM 144 CA SER A 10 -6.771 0.614 6.486 1.00 0.00 C ATOM 145 C SER A 10 -7.779 0.965 5.391 1.00 0.00 C ATOM 146 O SER A 10 -8.596 1.876 5.554 1.00 0.00 O ATOM 147 CB SER A 10 -7.211 -0.665 7.207 1.00 0.00 C ATOM 148 OG SER A 10 -8.414 -0.459 7.928 1.00 0.00 O ATOM 0 H SER A 10 -7.263 1.668 8.233 1.00 0.00 H new ATOM 0 HA SER A 10 -5.800 0.445 6.021 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.352 -1.465 6.480 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.426 -0.989 7.890 1.00 0.00 H new ATOM 0 HG SER A 10 -8.673 -1.291 8.377 1.00 0.00 H new ATOM 154 N MET A 11 -7.715 0.236 4.279 1.00 0.00 N ATOM 155 CA MET A 11 -8.619 0.459 3.155 1.00 0.00 C ATOM 156 C MET A 11 -9.190 -0.868 2.663 1.00 0.00 C ATOM 157 O MET A 11 -8.453 -1.840 2.488 1.00 0.00 O ATOM 158 CB MET A 11 -7.892 1.175 2.015 1.00 0.00 C ATOM 159 CG MET A 11 -8.781 1.493 0.821 1.00 0.00 C ATOM 160 SD MET A 11 -10.149 2.591 1.241 1.00 0.00 S ATOM 161 CE MET A 11 -11.037 2.635 -0.314 1.00 0.00 C ATOM 0 H MET A 11 -7.043 -0.517 4.133 1.00 0.00 H new ATOM 0 HA MET A 11 -9.440 1.091 3.494 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.465 2.103 2.395 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.060 0.555 1.681 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.179 1.954 0.038 1.00 0.00 H new ATOM 0 HG3 MET A 11 -9.179 0.564 0.412 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.913 3.276 -0.215 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.386 3.029 -1.094 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.354 1.627 -0.581 1.00 0.00 H new ATOM 171 N THR A 12 -10.501 -0.897 2.431 1.00 0.00 N ATOM 172 CA THR A 12 -11.169 -2.111 1.976 1.00 0.00 C ATOM 173 C THR A 12 -11.142 -2.231 0.453 1.00 0.00 C ATOM 174 O THR A 12 -11.674 -1.378 -0.259 1.00 0.00 O ATOM 175 CB THR A 12 -12.633 -2.167 2.459 1.00 0.00 C ATOM 176 OG1 THR A 12 -12.682 -2.063 3.888 1.00 0.00 O ATOM 177 CG2 THR A 12 -13.303 -3.463 2.020 1.00 0.00 C ATOM 0 H THR A 12 -11.119 -0.095 2.551 1.00 0.00 H new ATOM 0 HA THR A 12 -10.618 -2.946 2.409 1.00 0.00 H new ATOM 0 HB THR A 12 -13.169 -1.330 2.013 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.615 -2.098 4.187 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.334 -3.477 2.373 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.291 -3.528 0.932 1.00 0.00 H new ATOM 0 HG23 THR A 12 -12.764 -4.312 2.440 1.00 0.00 H new ATOM 185 N PHE A 13 -10.512 -3.299 -0.031 1.00 0.00 N ATOM 186 CA PHE A 13 -10.424 -3.570 -1.460 1.00 0.00 C ATOM 187 C PHE A 13 -11.533 -4.529 -1.873 1.00 0.00 C ATOM 188 O PHE A 13 -11.963 -5.374 -1.087 1.00 0.00 O ATOM 189 CB PHE A 13 -9.054 -4.158 -1.814 1.00 0.00 C ATOM 190 CG PHE A 13 -7.936 -3.153 -1.786 1.00 0.00 C ATOM 191 CD1 PHE A 13 -8.155 -1.834 -2.160 1.00 0.00 C ATOM 192 CD2 PHE A 13 -6.665 -3.528 -1.386 1.00 0.00 C ATOM 193 CE1 PHE A 13 -7.128 -0.913 -2.136 1.00 0.00 C ATOM 194 CE2 PHE A 13 -5.634 -2.610 -1.362 1.00 0.00 C ATOM 195 CZ PHE A 13 -5.865 -1.301 -1.736 1.00 0.00 C ATOM 0 H PHE A 13 -10.051 -3.996 0.554 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.544 -2.632 -2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.824 -4.963 -1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.106 -4.602 -2.808 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.141 -1.525 -2.474 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.478 -4.550 -1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.312 0.110 -2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.646 -2.916 -1.050 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.059 -0.582 -1.716 1.00 0.00 H new ATOM 205 N GLN A 14 -11.989 -4.390 -3.115 1.00 0.00 N ATOM 206 CA GLN A 14 -13.054 -5.234 -3.641 1.00 0.00 C ATOM 207 C GLN A 14 -12.625 -5.883 -4.955 1.00 0.00 C ATOM 208 O GLN A 14 -12.619 -5.235 -6.003 1.00 0.00 O ATOM 209 CB GLN A 14 -14.329 -4.410 -3.842 1.00 0.00 C ATOM 210 CG GLN A 14 -15.513 -5.208 -4.370 1.00 0.00 C ATOM 211 CD GLN A 14 -15.946 -6.317 -3.427 1.00 0.00 C ATOM 212 OE1 GLN A 14 -16.726 -6.091 -2.503 1.00 0.00 O ATOM 213 NE2 GLN A 14 -15.451 -7.529 -3.664 1.00 0.00 N ATOM 0 H GLN A 14 -11.635 -3.698 -3.776 1.00 0.00 H new ATOM 0 HA GLN A 14 -13.259 -6.025 -2.920 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.607 -3.955 -2.891 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -14.116 -3.596 -4.535 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -16.352 -4.534 -4.540 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -15.251 -5.641 -5.336 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -14.807 -7.674 -4.441 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -15.716 -8.314 -3.068 1.00 0.00 H new ATOM 222 N PRO A 15 -12.244 -7.174 -4.903 1.00 0.00 N ATOM 223 CA PRO A 15 -11.819 -7.928 -6.086 1.00 0.00 C ATOM 224 C PRO A 15 -12.787 -7.780 -7.257 1.00 0.00 C ATOM 225 O PRO A 15 -13.996 -7.634 -7.064 1.00 0.00 O ATOM 226 CB PRO A 15 -11.806 -9.373 -5.596 1.00 0.00 C ATOM 227 CG PRO A 15 -11.555 -9.280 -4.133 1.00 0.00 C ATOM 228 CD PRO A 15 -12.188 -7.996 -3.675 1.00 0.00 C ATOM 0 HA PRO A 15 -10.859 -7.576 -6.464 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -12.754 -9.869 -5.803 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.028 -9.952 -6.094 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -11.986 -10.134 -3.610 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.486 -9.283 -3.921 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -13.182 -8.165 -3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -11.597 -7.513 -2.897 1.00 0.00 H new ATOM 236 N LYS A 16 -12.243 -7.825 -8.473 1.00 0.00 N ATOM 237 CA LYS A 16 -13.051 -7.706 -9.684 1.00 0.00 C ATOM 238 C LYS A 16 -13.931 -8.944 -9.862 1.00 0.00 C ATOM 239 O LYS A 16 -15.071 -8.846 -10.323 1.00 0.00 O ATOM 240 CB LYS A 16 -12.150 -7.525 -10.911 1.00 0.00 C ATOM 241 CG LYS A 16 -11.206 -6.334 -10.810 1.00 0.00 C ATOM 242 CD LYS A 16 -11.959 -5.028 -10.614 1.00 0.00 C ATOM 243 CE LYS A 16 -11.005 -3.870 -10.369 1.00 0.00 C ATOM 244 NZ LYS A 16 -11.727 -2.582 -10.177 1.00 0.00 N ATOM 0 H LYS A 16 -11.244 -7.943 -8.644 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.692 -6.830 -9.585 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.562 -8.431 -11.055 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.776 -7.407 -11.796 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.519 -6.485 -9.977 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.602 -6.272 -11.715 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.567 -4.821 -11.495 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.643 -5.123 -9.770 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.399 -4.080 -9.488 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.321 -3.780 -11.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.043 -1.829 -9.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.245 -2.342 -11.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.398 -2.675 -9.388 1.00 0.00 H new ATOM 258 N LYS A 17 -13.388 -10.106 -9.490 1.00 0.00 N ATOM 259 CA LYS A 17 -14.107 -11.373 -9.598 1.00 0.00 C ATOM 260 C LYS A 17 -14.611 -11.830 -8.230 1.00 0.00 C ATOM 261 O LYS A 17 -14.189 -11.309 -7.195 1.00 0.00 O ATOM 262 CB LYS A 17 -13.194 -12.448 -10.197 1.00 0.00 C ATOM 263 CG LYS A 17 -12.505 -12.017 -11.482 1.00 0.00 C ATOM 264 CD LYS A 17 -11.264 -12.850 -11.758 1.00 0.00 C ATOM 265 CE LYS A 17 -10.508 -12.337 -12.974 1.00 0.00 C ATOM 266 NZ LYS A 17 -9.207 -13.037 -13.160 1.00 0.00 N ATOM 0 H LYS A 17 -12.446 -10.193 -9.109 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.965 -11.222 -10.253 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.436 -12.719 -9.462 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.783 -13.344 -10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.200 -12.110 -12.317 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -12.230 -10.965 -11.413 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.610 -12.830 -10.886 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.550 -13.889 -11.918 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.122 -12.470 -13.865 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.331 -11.267 -12.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.725 -12.657 -13.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.610 -12.889 -12.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.376 -14.055 -13.289 1.00 0.00 H new ATOM 280 N ALA A 18 -15.511 -12.812 -8.234 1.00 0.00 N ATOM 281 CA ALA A 18 -16.074 -13.346 -6.995 1.00 0.00 C ATOM 282 C ALA A 18 -15.113 -14.322 -6.315 1.00 0.00 C ATOM 283 O ALA A 18 -15.094 -14.423 -5.086 1.00 0.00 O ATOM 284 CB ALA A 18 -17.407 -14.022 -7.274 1.00 0.00 C ATOM 0 H ALA A 18 -15.866 -13.254 -9.082 1.00 0.00 H new ATOM 0 HA ALA A 18 -16.233 -12.511 -6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -17.817 -14.416 -6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -18.101 -13.296 -7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -17.260 -14.839 -7.980 1.00 0.00 H new ATOM 290 N SER A 19 -14.319 -15.041 -7.116 1.00 0.00 N ATOM 291 CA SER A 19 -13.353 -16.006 -6.587 1.00 0.00 C ATOM 292 C SER A 19 -12.381 -15.339 -5.611 1.00 0.00 C ATOM 293 O SER A 19 -12.059 -15.902 -4.564 1.00 0.00 O ATOM 294 CB SER A 19 -12.574 -16.662 -7.732 1.00 0.00 C ATOM 295 OG SER A 19 -11.685 -17.654 -7.246 1.00 0.00 O ATOM 0 H SER A 19 -14.328 -14.972 -8.134 1.00 0.00 H new ATOM 0 HA SER A 19 -13.909 -16.772 -6.046 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.271 -17.110 -8.440 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.013 -15.902 -8.276 1.00 0.00 H new ATOM 0 HG SER A 19 -11.202 -18.057 -7.998 1.00 0.00 H new ATOM 301 N LEU A 20 -11.919 -14.137 -5.964 1.00 0.00 N ATOM 302 CA LEU A 20 -10.989 -13.388 -5.122 1.00 0.00 C ATOM 303 C LEU A 20 -11.659 -12.947 -3.818 1.00 0.00 C ATOM 304 O LEU A 20 -12.887 -12.925 -3.715 1.00 0.00 O ATOM 305 CB LEU A 20 -10.467 -12.167 -5.878 1.00 0.00 C ATOM 306 CG LEU A 20 -9.545 -12.471 -7.063 1.00 0.00 C ATOM 307 CD1 LEU A 20 -9.369 -11.233 -7.930 1.00 0.00 C ATOM 308 CD2 LEU A 20 -8.195 -12.975 -6.575 1.00 0.00 C ATOM 0 H LEU A 20 -12.176 -13.663 -6.830 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.154 -14.043 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.320 -11.594 -6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.930 -11.529 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.006 -13.253 -7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.711 -11.466 -8.767 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.340 -10.913 -8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.930 -10.432 -7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.554 -13.185 -7.431 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.727 -12.215 -5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.335 -13.887 -5.994 1.00 0.00 H new ATOM 320 N GLN A 21 -10.840 -12.589 -2.829 1.00 0.00 N ATOM 321 CA GLN A 21 -11.342 -12.158 -1.526 1.00 0.00 C ATOM 322 C GLN A 21 -10.892 -10.730 -1.207 1.00 0.00 C ATOM 323 O GLN A 21 -9.735 -10.377 -1.433 1.00 0.00 O ATOM 324 CB GLN A 21 -10.861 -13.115 -0.431 1.00 0.00 C ATOM 325 CG GLN A 21 -9.345 -13.239 -0.342 1.00 0.00 C ATOM 326 CD GLN A 21 -8.896 -14.209 0.736 1.00 0.00 C ATOM 327 OE1 GLN A 21 -9.561 -14.373 1.759 1.00 0.00 O ATOM 328 NE2 GLN A 21 -7.757 -14.858 0.514 1.00 0.00 N ATOM 0 H GLN A 21 -9.823 -12.589 -2.907 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.431 -12.173 -1.562 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.245 -12.774 0.530 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.287 -14.102 -0.612 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.955 -13.568 -1.305 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.916 -12.257 -0.142 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.236 -14.693 -0.347 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.404 -15.520 1.205 1.00 0.00 H new ATOM 337 N PRO A 22 -11.806 -9.892 -0.672 1.00 0.00 N ATOM 338 CA PRO A 22 -11.501 -8.494 -0.316 1.00 0.00 C ATOM 339 C PRO A 22 -10.268 -8.365 0.581 1.00 0.00 C ATOM 340 O PRO A 22 -9.954 -9.274 1.354 1.00 0.00 O ATOM 341 CB PRO A 22 -12.761 -8.040 0.426 1.00 0.00 C ATOM 342 CG PRO A 22 -13.843 -8.896 -0.129 1.00 0.00 C ATOM 343 CD PRO A 22 -13.210 -10.234 -0.382 1.00 0.00 C ATOM 0 HA PRO A 22 -11.264 -7.893 -1.194 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.659 -8.176 1.503 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -12.964 -6.983 0.256 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.673 -8.982 0.572 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.245 -8.472 -1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.294 -10.890 0.485 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -13.680 -10.750 -1.219 1.00 0.00 H new ATOM 351 N LEU A 23 -9.578 -7.228 0.475 1.00 0.00 N ATOM 352 CA LEU A 23 -8.371 -6.982 1.265 1.00 0.00 C ATOM 353 C LEU A 23 -8.472 -5.671 2.043 1.00 0.00 C ATOM 354 O LEU A 23 -8.682 -4.608 1.459 1.00 0.00 O ATOM 355 CB LEU A 23 -7.146 -6.948 0.347 1.00 0.00 C ATOM 356 CG LEU A 23 -5.799 -7.231 1.024 1.00 0.00 C ATOM 357 CD1 LEU A 23 -4.701 -7.370 -0.019 1.00 0.00 C ATOM 358 CD2 LEU A 23 -5.449 -6.134 2.020 1.00 0.00 C ATOM 0 H LEU A 23 -9.834 -6.464 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.267 -7.795 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.292 -7.678 -0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.096 -5.967 -0.125 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.884 -8.170 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.751 -7.571 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.940 -8.194 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.623 -6.445 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.490 -6.358 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.385 -5.178 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.221 -6.079 2.787 1.00 0.00 H new ATOM 370 N THR A 24 -8.309 -5.756 3.362 1.00 0.00 N ATOM 371 CA THR A 24 -8.375 -4.577 4.224 1.00 0.00 C ATOM 372 C THR A 24 -7.114 -4.451 5.081 1.00 0.00 C ATOM 373 O THR A 24 -7.064 -4.950 6.208 1.00 0.00 O ATOM 374 CB THR A 24 -9.620 -4.608 5.137 1.00 0.00 C ATOM 375 OG1 THR A 24 -10.802 -4.804 4.350 1.00 0.00 O ATOM 376 CG2 THR A 24 -9.748 -3.311 5.928 1.00 0.00 C ATOM 0 H THR A 24 -8.130 -6.629 3.857 1.00 0.00 H new ATOM 0 HA THR A 24 -8.449 -3.709 3.569 1.00 0.00 H new ATOM 0 HB THR A 24 -9.505 -5.435 5.837 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.311 -3.967 4.310 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.633 -3.358 6.563 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.862 -3.174 6.549 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.841 -2.472 5.238 1.00 0.00 H new ATOM 384 N ILE A 25 -6.093 -3.794 4.530 1.00 0.00 N ATOM 385 CA ILE A 25 -4.818 -3.630 5.228 1.00 0.00 C ATOM 386 C ILE A 25 -4.426 -2.155 5.367 1.00 0.00 C ATOM 387 O ILE A 25 -4.843 -1.312 4.570 1.00 0.00 O ATOM 388 CB ILE A 25 -3.692 -4.395 4.491 1.00 0.00 C ATOM 389 CG1 ILE A 25 -2.436 -4.485 5.361 1.00 0.00 C ATOM 390 CG2 ILE A 25 -3.373 -3.734 3.156 1.00 0.00 C ATOM 391 CD1 ILE A 25 -2.626 -5.301 6.619 1.00 0.00 C ATOM 0 H ILE A 25 -6.124 -3.367 3.604 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.947 -4.043 6.228 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.045 -5.408 4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.628 -4.922 4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.122 -3.478 5.636 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.579 -4.289 2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.265 -3.732 2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.047 -2.708 3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.694 -5.320 7.184 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.411 -4.853 7.228 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.910 -6.319 6.353 1.00 0.00 H new ATOM 403 N SER A 26 -3.618 -1.859 6.389 1.00 0.00 N ATOM 404 CA SER A 26 -3.156 -0.497 6.646 1.00 0.00 C ATOM 405 C SER A 26 -1.633 -0.389 6.495 1.00 0.00 C ATOM 406 O SER A 26 -0.940 -1.395 6.333 1.00 0.00 O ATOM 407 CB SER A 26 -3.574 -0.062 8.055 1.00 0.00 C ATOM 408 OG SER A 26 -3.241 1.294 8.295 1.00 0.00 O ATOM 0 H SER A 26 -3.270 -2.550 7.054 1.00 0.00 H new ATOM 0 HA SER A 26 -3.617 0.162 5.910 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.648 -0.202 8.178 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.083 -0.695 8.794 1.00 0.00 H new ATOM 0 HG SER A 26 -2.409 1.340 8.811 1.00 0.00 H new ATOM 414 N LEU A 27 -1.129 0.845 6.555 1.00 0.00 N ATOM 415 CA LEU A 27 0.305 1.121 6.433 1.00 0.00 C ATOM 416 C LEU A 27 1.111 0.440 7.541 1.00 0.00 C ATOM 417 O LEU A 27 1.905 -0.463 7.276 1.00 0.00 O ATOM 418 CB LEU A 27 0.555 2.634 6.475 1.00 0.00 C ATOM 419 CG LEU A 27 -0.179 3.450 5.407 1.00 0.00 C ATOM 420 CD1 LEU A 27 0.284 4.899 5.430 1.00 0.00 C ATOM 421 CD2 LEU A 27 0.029 2.843 4.026 1.00 0.00 C ATOM 0 H LEU A 27 -1.701 1.679 6.689 1.00 0.00 H new ATOM 0 HA LEU A 27 0.636 0.717 5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.263 3.006 7.457 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.626 2.811 6.372 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.245 3.426 5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.248 5.463 4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.077 5.331 6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.355 4.942 5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.501 3.439 3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.093 2.832 3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.356 1.823 4.015 1.00 0.00 H new ATOM 433 N ASP A 28 0.887 0.869 8.784 1.00 0.00 N ATOM 434 CA ASP A 28 1.601 0.322 9.939 1.00 0.00 C ATOM 435 C ASP A 28 1.319 -1.170 10.114 1.00 0.00 C ATOM 436 O ASP A 28 2.183 -1.922 10.568 1.00 0.00 O ATOM 437 CB ASP A 28 1.202 1.076 11.212 1.00 0.00 C ATOM 438 CG ASP A 28 2.130 0.783 12.377 1.00 0.00 C ATOM 439 OD1 ASP A 28 1.915 -0.234 13.069 1.00 0.00 O ATOM 440 OD2 ASP A 28 3.072 1.573 12.596 1.00 0.00 O ATOM 0 H ASP A 28 0.213 1.598 9.017 1.00 0.00 H new ATOM 0 HA ASP A 28 2.669 0.448 9.760 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.203 2.147 11.011 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.183 0.805 11.487 1.00 0.00 H new ATOM 445 N GLU A 29 0.108 -1.587 9.746 1.00 0.00 N ATOM 446 CA GLU A 29 -0.299 -2.982 9.870 1.00 0.00 C ATOM 447 C GLU A 29 0.272 -3.859 8.745 1.00 0.00 C ATOM 448 O GLU A 29 0.026 -5.067 8.724 1.00 0.00 O ATOM 449 CB GLU A 29 -1.831 -3.069 9.877 1.00 0.00 C ATOM 450 CG GLU A 29 -2.375 -4.443 10.229 1.00 0.00 C ATOM 451 CD GLU A 29 -3.890 -4.463 10.323 1.00 0.00 C ATOM 452 OE1 GLU A 29 -4.548 -4.609 9.271 1.00 0.00 O ATOM 453 OE2 GLU A 29 -4.417 -4.330 11.447 1.00 0.00 O ATOM 0 H GLU A 29 -0.609 -0.974 9.358 1.00 0.00 H new ATOM 0 HA GLU A 29 0.103 -3.362 10.809 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.222 -2.342 10.589 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.204 -2.784 8.894 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.052 -5.162 9.476 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.951 -4.765 11.180 1.00 0.00 H new ATOM 460 N LEU A 30 1.042 -3.272 7.817 1.00 0.00 N ATOM 461 CA LEU A 30 1.601 -4.054 6.715 1.00 0.00 C ATOM 462 C LEU A 30 3.099 -3.801 6.482 1.00 0.00 C ATOM 463 O LEU A 30 3.644 -4.232 5.467 1.00 0.00 O ATOM 464 CB LEU A 30 0.814 -3.781 5.430 1.00 0.00 C ATOM 465 CG LEU A 30 1.081 -4.744 4.266 1.00 0.00 C ATOM 466 CD1 LEU A 30 0.761 -6.177 4.668 1.00 0.00 C ATOM 467 CD2 LEU A 30 0.271 -4.337 3.046 1.00 0.00 C ATOM 0 H LEU A 30 1.285 -2.281 7.809 1.00 0.00 H new ATOM 0 HA LEU A 30 1.507 -5.102 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.250 -3.811 5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.039 -2.768 5.097 1.00 0.00 H new ATOM 0 HG LEU A 30 2.140 -4.691 4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.957 -6.843 3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.385 -6.466 5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.289 -6.250 4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.471 -5.030 2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.791 -4.361 3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.551 -3.328 2.743 1.00 0.00 H new ATOM 479 N PHE A 31 3.773 -3.124 7.422 1.00 0.00 N ATOM 480 CA PHE A 31 5.211 -2.875 7.258 1.00 0.00 C ATOM 481 C PHE A 31 5.980 -3.194 8.538 1.00 0.00 C ATOM 482 O PHE A 31 5.520 -2.894 9.642 1.00 0.00 O ATOM 483 CB PHE A 31 5.495 -1.435 6.807 1.00 0.00 C ATOM 484 CG PHE A 31 4.762 -1.017 5.558 1.00 0.00 C ATOM 485 CD1 PHE A 31 4.833 -1.779 4.403 1.00 0.00 C ATOM 486 CD2 PHE A 31 4.002 0.142 5.543 1.00 0.00 C ATOM 487 CE1 PHE A 31 4.159 -1.395 3.260 1.00 0.00 C ATOM 488 CE2 PHE A 31 3.327 0.531 4.402 1.00 0.00 C ATOM 489 CZ PHE A 31 3.405 -0.238 3.261 1.00 0.00 C ATOM 0 H PHE A 31 3.362 -2.750 8.277 1.00 0.00 H new ATOM 0 HA PHE A 31 5.559 -3.545 6.472 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.227 -0.755 7.615 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.566 -1.325 6.639 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.422 -2.684 4.396 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.937 0.748 6.434 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.222 -1.999 2.367 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.739 1.437 4.404 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.877 0.064 2.369 1.00 0.00 H new ATOM 499 N SER A 32 7.156 -3.804 8.380 1.00 0.00 N ATOM 500 CA SER A 32 7.993 -4.178 9.520 1.00 0.00 C ATOM 501 C SER A 32 9.453 -3.758 9.309 1.00 0.00 C ATOM 502 O SER A 32 10.374 -4.446 9.756 1.00 0.00 O ATOM 503 CB SER A 32 7.925 -5.697 9.716 1.00 0.00 C ATOM 504 OG SER A 32 8.430 -6.387 8.584 1.00 0.00 O ATOM 0 H SER A 32 7.550 -4.050 7.472 1.00 0.00 H new ATOM 0 HA SER A 32 7.618 -3.662 10.403 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.497 -5.977 10.600 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.893 -5.997 9.896 1.00 0.00 H new ATOM 0 HG SER A 32 8.375 -7.353 8.739 1.00 0.00 H new ATOM 510 N SER A 33 9.660 -2.616 8.648 1.00 0.00 N ATOM 511 CA SER A 33 11.009 -2.109 8.392 1.00 0.00 C ATOM 512 C SER A 33 10.970 -0.701 7.796 1.00 0.00 C ATOM 513 O SER A 33 10.145 -0.412 6.927 1.00 0.00 O ATOM 514 CB SER A 33 11.778 -3.058 7.469 1.00 0.00 C ATOM 515 OG SER A 33 10.992 -3.448 6.357 1.00 0.00 O ATOM 0 H SER A 33 8.912 -2.027 8.282 1.00 0.00 H new ATOM 0 HA SER A 33 11.529 -2.056 9.348 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.688 -2.570 7.120 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.085 -3.942 8.028 1.00 0.00 H new ATOM 0 HG SER A 33 11.360 -4.269 5.968 1.00 0.00 H new ATOM 521 N ARG A 34 11.868 0.169 8.265 1.00 0.00 N ATOM 522 CA ARG A 34 11.932 1.549 7.776 1.00 0.00 C ATOM 523 C ARG A 34 12.304 1.604 6.293 1.00 0.00 C ATOM 524 O ARG A 34 11.758 2.417 5.544 1.00 0.00 O ATOM 525 CB ARG A 34 12.925 2.375 8.610 1.00 0.00 C ATOM 526 CG ARG A 34 14.367 1.887 8.538 1.00 0.00 C ATOM 527 CD ARG A 34 15.131 2.558 7.406 1.00 0.00 C ATOM 528 NE ARG A 34 16.432 1.929 7.172 1.00 0.00 N ATOM 529 CZ ARG A 34 17.084 1.966 6.006 1.00 0.00 C ATOM 530 NH1 ARG A 34 16.567 2.608 4.960 1.00 0.00 N ATOM 531 NH2 ARG A 34 18.260 1.359 5.887 1.00 0.00 N ATOM 0 H ARG A 34 12.559 -0.057 8.981 1.00 0.00 H new ATOM 0 HA ARG A 34 10.938 1.982 7.886 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.888 3.412 8.275 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.603 2.365 9.651 1.00 0.00 H new ATOM 0 HG2 ARG A 34 14.867 2.089 9.485 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.379 0.806 8.395 1.00 0.00 H new ATOM 0 HD2 ARG A 34 14.538 2.514 6.493 1.00 0.00 H new ATOM 0 HD3 ARG A 34 15.276 3.612 7.642 1.00 0.00 H new ATOM 0 HE ARG A 34 16.868 1.431 7.948 1.00 0.00 H new ATOM 0 HH11 ARG A 34 15.665 3.077 5.044 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.073 2.630 4.074 1.00 0.00 H new ATOM 0 HH21 ARG A 34 18.663 0.867 6.684 1.00 0.00 H new ATOM 0 HH22 ARG A 34 18.760 1.385 4.998 1.00 0.00 H new ATOM 545 N GLY A 35 13.232 0.738 5.871 1.00 0.00 N ATOM 546 CA GLY A 35 13.652 0.711 4.480 1.00 0.00 C ATOM 547 C GLY A 35 12.562 0.210 3.552 1.00 0.00 C ATOM 548 O GLY A 35 12.408 0.726 2.443 1.00 0.00 O ATOM 0 H GLY A 35 13.698 0.057 6.471 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.951 1.714 4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.530 0.072 4.382 1.00 0.00 H new ATOM 552 N GLU A 36 11.805 -0.797 3.998 1.00 0.00 N ATOM 553 CA GLU A 36 10.707 -1.335 3.197 1.00 0.00 C ATOM 554 C GLU A 36 9.715 -0.222 2.872 1.00 0.00 C ATOM 555 O GLU A 36 9.241 -0.115 1.740 1.00 0.00 O ATOM 556 CB GLU A 36 10.002 -2.474 3.939 1.00 0.00 C ATOM 557 CG GLU A 36 8.785 -3.030 3.212 1.00 0.00 C ATOM 558 CD GLU A 36 9.133 -3.694 1.891 1.00 0.00 C ATOM 559 OE1 GLU A 36 9.321 -2.970 0.890 1.00 0.00 O ATOM 560 OE2 GLU A 36 9.209 -4.940 1.856 1.00 0.00 O ATOM 0 H GLU A 36 11.932 -1.251 4.902 1.00 0.00 H new ATOM 0 HA GLU A 36 11.114 -1.736 2.269 1.00 0.00 H new ATOM 0 HB2 GLU A 36 10.715 -3.282 4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.693 -2.117 4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.284 -3.754 3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.077 -2.222 3.030 1.00 0.00 H new ATOM 567 N PHE A 37 9.414 0.607 3.878 1.00 0.00 N ATOM 568 CA PHE A 37 8.499 1.732 3.708 1.00 0.00 C ATOM 569 C PHE A 37 8.966 2.617 2.551 1.00 0.00 C ATOM 570 O PHE A 37 8.166 3.027 1.710 1.00 0.00 O ATOM 571 CB PHE A 37 8.422 2.548 5.003 1.00 0.00 C ATOM 572 CG PHE A 37 7.178 3.383 5.122 1.00 0.00 C ATOM 573 CD1 PHE A 37 7.116 4.644 4.552 1.00 0.00 C ATOM 574 CD2 PHE A 37 6.074 2.909 5.813 1.00 0.00 C ATOM 575 CE1 PHE A 37 5.977 5.416 4.665 1.00 0.00 C ATOM 576 CE2 PHE A 37 4.930 3.677 5.930 1.00 0.00 C ATOM 577 CZ PHE A 37 4.882 4.932 5.355 1.00 0.00 C ATOM 0 H PHE A 37 9.794 0.516 4.820 1.00 0.00 H new ATOM 0 HA PHE A 37 7.505 1.348 3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.474 1.868 5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 37 9.293 3.200 5.062 1.00 0.00 H new ATOM 0 HD1 PHE A 37 7.969 5.028 4.013 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.108 1.929 6.265 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.942 6.397 4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.076 3.296 6.470 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.990 5.534 5.445 1.00 0.00 H new ATOM 587 N ILE A 38 10.266 2.926 2.533 1.00 0.00 N ATOM 588 CA ILE A 38 10.855 3.732 1.467 1.00 0.00 C ATOM 589 C ILE A 38 10.574 3.124 0.092 1.00 0.00 C ATOM 590 O ILE A 38 10.091 3.815 -0.806 1.00 0.00 O ATOM 591 CB ILE A 38 12.385 3.878 1.653 1.00 0.00 C ATOM 592 CG1 ILE A 38 12.701 4.559 2.989 1.00 0.00 C ATOM 593 CG2 ILE A 38 12.997 4.661 0.496 1.00 0.00 C ATOM 594 CD1 ILE A 38 12.005 5.891 3.179 1.00 0.00 C ATOM 0 H ILE A 38 10.930 2.628 3.248 1.00 0.00 H new ATOM 0 HA ILE A 38 10.393 4.717 1.523 1.00 0.00 H new ATOM 0 HB ILE A 38 12.825 2.881 1.661 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.415 3.892 3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.778 4.709 3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.073 4.752 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 38 12.805 4.137 -0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.551 5.655 0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 38 12.279 6.310 4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 38 12.309 6.577 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.925 5.746 3.139 1.00 0.00 H new ATOM 606 N SER A 39 10.879 1.830 -0.068 1.00 0.00 N ATOM 607 CA SER A 39 10.663 1.148 -1.346 1.00 0.00 C ATOM 608 C SER A 39 9.186 1.190 -1.731 1.00 0.00 C ATOM 609 O SER A 39 8.827 1.814 -2.729 1.00 0.00 O ATOM 610 CB SER A 39 11.165 -0.297 -1.280 1.00 0.00 C ATOM 611 OG SER A 39 11.028 -0.946 -2.534 1.00 0.00 O ATOM 0 H SER A 39 11.272 1.240 0.666 1.00 0.00 H new ATOM 0 HA SER A 39 11.233 1.670 -2.115 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.211 -0.308 -0.975 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.606 -0.845 -0.521 1.00 0.00 H new ATOM 0 HG SER A 39 11.358 -1.866 -2.464 1.00 0.00 H new ATOM 617 N VAL A 40 8.342 0.500 -0.950 1.00 0.00 N ATOM 618 CA VAL A 40 6.899 0.418 -1.216 1.00 0.00 C ATOM 619 C VAL A 40 6.303 1.683 -1.834 1.00 0.00 C ATOM 620 O VAL A 40 5.425 1.585 -2.694 1.00 0.00 O ATOM 621 CB VAL A 40 6.087 0.034 0.043 1.00 0.00 C ATOM 622 CG1 VAL A 40 6.439 -1.373 0.501 1.00 0.00 C ATOM 623 CG2 VAL A 40 6.305 1.034 1.167 1.00 0.00 C ATOM 0 H VAL A 40 8.639 -0.014 -0.121 1.00 0.00 H new ATOM 0 HA VAL A 40 6.815 -0.378 -1.956 1.00 0.00 H new ATOM 0 HB VAL A 40 5.030 0.056 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.857 -1.623 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.211 -2.082 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.502 -1.423 0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.721 0.736 2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.362 1.060 1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.989 2.024 0.839 1.00 0.00 H new ATOM 633 N GLY A 41 6.759 2.866 -1.412 1.00 0.00 N ATOM 634 CA GLY A 41 6.228 4.102 -1.966 1.00 0.00 C ATOM 635 C GLY A 41 5.843 5.099 -0.885 1.00 0.00 C ATOM 636 O GLY A 41 4.832 5.791 -1.010 1.00 0.00 O ATOM 0 H GLY A 41 7.481 2.988 -0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.972 4.552 -2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.355 3.878 -2.578 1.00 0.00 H new ATOM 640 N GLY A 42 6.660 5.186 0.172 1.00 0.00 N ATOM 641 CA GLY A 42 6.371 6.093 1.267 1.00 0.00 C ATOM 642 C GLY A 42 7.499 7.064 1.545 1.00 0.00 C ATOM 643 O GLY A 42 8.350 6.809 2.399 1.00 0.00 O ATOM 0 H GLY A 42 7.515 4.642 0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.465 6.654 1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.168 5.513 2.167 1.00 0.00 H new ATOM 647 N ASP A 43 7.505 8.179 0.820 1.00 0.00 N ATOM 648 CA ASP A 43 8.494 9.228 1.042 1.00 0.00 C ATOM 649 C ASP A 43 8.036 10.053 2.243 1.00 0.00 C ATOM 650 O ASP A 43 8.606 9.937 3.330 1.00 0.00 O ATOM 651 CB ASP A 43 8.647 10.104 -0.205 1.00 0.00 C ATOM 652 CG ASP A 43 9.259 9.350 -1.371 1.00 0.00 C ATOM 653 OD1 ASP A 43 8.504 8.682 -2.109 1.00 0.00 O ATOM 654 OD2 ASP A 43 10.493 9.425 -1.544 1.00 0.00 O ATOM 0 H ASP A 43 6.837 8.379 0.075 1.00 0.00 H new ATOM 0 HA ASP A 43 9.472 8.790 1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.670 10.489 -0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 43 9.270 10.966 0.034 1.00 0.00 H new ATOM 659 N GLY A 44 7.010 10.882 2.050 1.00 0.00 N ATOM 660 CA GLY A 44 6.511 11.704 3.138 1.00 0.00 C ATOM 661 C GLY A 44 5.061 12.099 2.965 1.00 0.00 C ATOM 662 O GLY A 44 4.185 11.574 3.649 1.00 0.00 O ATOM 0 H GLY A 44 6.519 10.997 1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.624 11.162 4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.120 12.605 3.214 1.00 0.00 H new ATOM 666 N ARG A 45 4.804 13.024 2.047 1.00 0.00 N ATOM 667 CA ARG A 45 3.447 13.496 1.802 1.00 0.00 C ATOM 668 C ARG A 45 2.714 12.597 0.807 1.00 0.00 C ATOM 669 O ARG A 45 2.945 12.673 -0.402 1.00 0.00 O ATOM 670 CB ARG A 45 3.468 14.942 1.300 1.00 0.00 C ATOM 671 CG ARG A 45 3.838 15.956 2.374 1.00 0.00 C ATOM 672 CD ARG A 45 5.306 15.858 2.774 1.00 0.00 C ATOM 673 NE ARG A 45 6.207 16.074 1.641 1.00 0.00 N ATOM 674 CZ ARG A 45 7.492 15.709 1.627 1.00 0.00 C ATOM 675 NH1 ARG A 45 8.035 15.100 2.681 1.00 0.00 N ATOM 676 NH2 ARG A 45 8.239 15.953 0.556 1.00 0.00 N ATOM 0 H ARG A 45 5.516 13.461 1.462 1.00 0.00 H new ATOM 0 HA ARG A 45 2.905 13.458 2.747 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.178 15.022 0.477 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.486 15.193 0.899 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.628 16.962 2.010 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.212 15.798 3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.519 16.594 3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.498 14.876 3.205 1.00 0.00 H new ATOM 0 HE ARG A 45 5.830 16.532 0.811 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.468 14.909 3.507 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.017 14.825 2.661 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.831 16.419 -0.255 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.220 15.675 0.544 1.00 0.00 H new ATOM 690 N MET A 46 1.834 11.742 1.332 1.00 0.00 N ATOM 691 CA MET A 46 1.048 10.831 0.502 1.00 0.00 C ATOM 692 C MET A 46 -0.352 11.404 0.286 1.00 0.00 C ATOM 693 O MET A 46 -0.796 12.273 1.041 1.00 0.00 O ATOM 694 CB MET A 46 0.959 9.452 1.166 1.00 0.00 C ATOM 695 CG MET A 46 0.577 8.326 0.215 1.00 0.00 C ATOM 696 SD MET A 46 2.010 7.447 -0.439 1.00 0.00 S ATOM 697 CE MET A 46 2.735 8.703 -1.490 1.00 0.00 C ATOM 0 H MET A 46 1.648 11.663 2.332 1.00 0.00 H new ATOM 0 HA MET A 46 1.539 10.720 -0.465 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.921 9.217 1.621 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.227 9.496 1.972 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.070 7.620 0.736 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.001 8.736 -0.613 1.00 0.00 H new ATOM 0 HE1 MET A 46 3.407 8.233 -2.208 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.945 9.231 -2.024 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.295 9.411 -0.878 1.00 0.00 H new ATOM 707 N SER A 47 -1.048 10.920 -0.741 1.00 0.00 N ATOM 708 CA SER A 47 -2.389 11.406 -1.044 1.00 0.00 C ATOM 709 C SER A 47 -3.467 10.653 -0.264 1.00 0.00 C ATOM 710 O SER A 47 -4.076 11.200 0.656 1.00 0.00 O ATOM 711 CB SER A 47 -2.662 11.304 -2.548 1.00 0.00 C ATOM 712 OG SER A 47 -1.894 12.251 -3.270 1.00 0.00 O ATOM 0 H SER A 47 -0.707 10.196 -1.373 1.00 0.00 H new ATOM 0 HA SER A 47 -2.432 12.450 -0.735 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.427 10.298 -2.896 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.722 11.468 -2.740 1.00 0.00 H new ATOM 0 HG SER A 47 -1.146 11.797 -3.712 1.00 0.00 H new ATOM 718 N HIS A 48 -3.687 9.391 -0.640 1.00 0.00 N ATOM 719 CA HIS A 48 -4.719 8.549 -0.036 1.00 0.00 C ATOM 720 C HIS A 48 -4.703 7.160 -0.673 1.00 0.00 C ATOM 721 O HIS A 48 -4.307 6.190 -0.022 1.00 0.00 O ATOM 722 CB HIS A 48 -6.097 9.198 -0.232 1.00 0.00 C ATOM 723 CG HIS A 48 -7.236 8.363 0.270 1.00 0.00 C ATOM 724 ND1 HIS A 48 -7.848 8.578 1.487 1.00 0.00 N ATOM 725 CD2 HIS A 48 -7.877 7.307 -0.290 1.00 0.00 C ATOM 726 CE1 HIS A 48 -8.813 7.692 1.656 1.00 0.00 C ATOM 727 NE2 HIS A 48 -8.851 6.911 0.593 1.00 0.00 N ATOM 0 H HIS A 48 -3.153 8.925 -1.373 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.517 8.449 1.031 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -6.111 10.160 0.280 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -6.246 9.399 -1.293 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.662 6.861 -1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.461 7.619 2.517 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.500 6.137 0.450 1.00 0.00 H new ATOM 736 N LYS A 49 -5.126 7.053 -1.932 1.00 0.00 N ATOM 737 CA LYS A 49 -5.105 5.769 -2.631 1.00 0.00 C ATOM 738 C LYS A 49 -3.668 5.249 -2.734 1.00 0.00 C ATOM 739 O LYS A 49 -3.436 4.039 -2.758 1.00 0.00 O ATOM 740 CB LYS A 49 -5.717 5.910 -4.026 1.00 0.00 C ATOM 741 CG LYS A 49 -5.865 4.592 -4.771 1.00 0.00 C ATOM 742 CD LYS A 49 -6.906 3.683 -4.127 1.00 0.00 C ATOM 743 CE LYS A 49 -6.298 2.776 -3.063 1.00 0.00 C ATOM 744 NZ LYS A 49 -5.320 1.809 -3.635 1.00 0.00 N ATOM 0 H LYS A 49 -5.484 7.832 -2.484 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.699 5.053 -2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.698 6.377 -3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.096 6.583 -4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.147 4.790 -5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -4.903 4.080 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.690 4.292 -3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.378 3.072 -4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.802 3.387 -2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.094 2.228 -2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.424 0.889 -3.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.499 1.696 -4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.354 2.166 -3.490 1.00 0.00 H new ATOM 758 N GLU A 50 -2.708 6.179 -2.791 1.00 0.00 N ATOM 759 CA GLU A 50 -1.292 5.837 -2.891 1.00 0.00 C ATOM 760 C GLU A 50 -0.808 5.070 -1.661 1.00 0.00 C ATOM 761 O GLU A 50 -0.205 4.005 -1.792 1.00 0.00 O ATOM 762 CB GLU A 50 -0.459 7.112 -3.053 1.00 0.00 C ATOM 763 CG GLU A 50 -0.667 7.817 -4.384 1.00 0.00 C ATOM 764 CD GLU A 50 0.236 9.022 -4.549 1.00 0.00 C ATOM 765 OE1 GLU A 50 -0.129 10.110 -4.056 1.00 0.00 O ATOM 766 OE2 GLU A 50 1.311 8.879 -5.170 1.00 0.00 O ATOM 0 H GLU A 50 -2.893 7.182 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.168 5.195 -3.763 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.706 7.801 -2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.596 6.861 -2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.482 7.114 -5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.707 8.132 -4.466 1.00 0.00 H new ATOM 773 N ALA A 51 -1.085 5.616 -0.469 1.00 0.00 N ATOM 774 CA ALA A 51 -0.657 4.997 0.788 1.00 0.00 C ATOM 775 C ALA A 51 -1.013 3.515 0.841 1.00 0.00 C ATOM 776 O ALA A 51 -0.127 2.685 1.043 1.00 0.00 O ATOM 777 CB ALA A 51 -1.253 5.732 1.981 1.00 0.00 C ATOM 0 H ALA A 51 -1.604 6.486 -0.351 1.00 0.00 H new ATOM 0 HA ALA A 51 0.429 5.076 0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.922 5.256 2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.923 6.771 1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.341 5.696 1.924 1.00 0.00 H new ATOM 783 N ILE A 52 -2.288 3.170 0.666 1.00 0.00 N ATOM 784 CA ILE A 52 -2.681 1.763 0.742 1.00 0.00 C ATOM 785 C ILE A 52 -1.929 0.947 -0.309 1.00 0.00 C ATOM 786 O ILE A 52 -1.412 -0.129 -0.008 1.00 0.00 O ATOM 787 CB ILE A 52 -4.203 1.566 0.599 1.00 0.00 C ATOM 788 CG1 ILE A 52 -4.946 2.413 1.639 1.00 0.00 C ATOM 789 CG2 ILE A 52 -4.568 0.094 0.741 1.00 0.00 C ATOM 790 CD1 ILE A 52 -4.704 1.982 3.071 1.00 0.00 C ATOM 0 H ILE A 52 -3.048 3.824 0.476 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.410 1.405 1.735 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.506 1.895 -0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.644 3.454 1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.015 2.368 1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.646 -0.025 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.063 -0.482 -0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.256 -0.265 1.722 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.264 2.630 3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.033 0.951 3.201 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.640 2.054 3.298 1.00 0.00 H new ATOM 802 N LEU A 53 -1.881 1.461 -1.542 1.00 0.00 N ATOM 803 CA LEU A 53 -1.252 0.740 -2.653 1.00 0.00 C ATOM 804 C LEU A 53 0.162 0.248 -2.319 1.00 0.00 C ATOM 805 O LEU A 53 0.607 -0.766 -2.859 1.00 0.00 O ATOM 806 CB LEU A 53 -1.261 1.591 -3.924 1.00 0.00 C ATOM 807 CG LEU A 53 -0.751 0.904 -5.193 1.00 0.00 C ATOM 808 CD1 LEU A 53 -1.712 -0.187 -5.639 1.00 0.00 C ATOM 809 CD2 LEU A 53 -0.550 1.927 -6.301 1.00 0.00 C ATOM 0 H LEU A 53 -2.268 2.370 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.850 -0.154 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.281 1.931 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.655 2.480 -3.747 1.00 0.00 H new ATOM 0 HG LEU A 53 0.209 0.438 -4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.330 -0.662 -6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.807 -0.933 -4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.689 0.250 -5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.187 1.425 -7.198 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.498 2.419 -6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.179 2.671 -5.981 1.00 0.00 H new ATOM 821 N LEU A 54 0.868 0.973 -1.441 1.00 0.00 N ATOM 822 CA LEU A 54 2.220 0.592 -1.018 1.00 0.00 C ATOM 823 C LEU A 54 2.317 -0.899 -0.671 1.00 0.00 C ATOM 824 O LEU A 54 3.337 -1.539 -0.935 1.00 0.00 O ATOM 825 CB LEU A 54 2.634 1.417 0.206 1.00 0.00 C ATOM 826 CG LEU A 54 3.363 2.730 -0.091 1.00 0.00 C ATOM 827 CD1 LEU A 54 2.490 3.665 -0.914 1.00 0.00 C ATOM 828 CD2 LEU A 54 3.787 3.404 1.207 1.00 0.00 C ATOM 0 H LEU A 54 0.522 1.830 -1.009 1.00 0.00 H new ATOM 0 HA LEU A 54 2.889 0.790 -1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.740 1.643 0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.276 0.801 0.835 1.00 0.00 H new ATOM 0 HG LEU A 54 4.254 2.499 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.032 4.590 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.234 3.186 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.577 3.890 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.304 4.336 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.905 3.616 1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.455 2.743 1.759 1.00 0.00 H new ATOM 840 N GLY A 55 1.247 -1.436 -0.070 1.00 0.00 N ATOM 841 CA GLY A 55 1.211 -2.840 0.326 1.00 0.00 C ATOM 842 C GLY A 55 1.645 -3.798 -0.771 1.00 0.00 C ATOM 843 O GLY A 55 2.361 -4.760 -0.500 1.00 0.00 O ATOM 0 H GLY A 55 0.398 -0.915 0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.856 -2.980 1.194 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.198 -3.094 0.638 1.00 0.00 H new ATOM 847 N LEU A 56 1.195 -3.555 -2.005 1.00 0.00 N ATOM 848 CA LEU A 56 1.554 -4.416 -3.136 1.00 0.00 C ATOM 849 C LEU A 56 3.069 -4.582 -3.248 1.00 0.00 C ATOM 850 O LEU A 56 3.553 -5.675 -3.533 1.00 0.00 O ATOM 851 CB LEU A 56 0.987 -3.862 -4.445 1.00 0.00 C ATOM 852 CG LEU A 56 -0.540 -3.777 -4.504 1.00 0.00 C ATOM 853 CD1 LEU A 56 -1.000 -3.452 -5.916 1.00 0.00 C ATOM 854 CD2 LEU A 56 -1.166 -5.077 -4.016 1.00 0.00 C ATOM 0 H LEU A 56 0.585 -2.774 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 56 1.115 -5.397 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.398 -2.866 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.333 -4.488 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.868 -2.973 -3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.088 -3.395 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.580 -2.495 -6.224 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.662 -4.233 -6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.252 -4.999 -4.065 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.833 -5.901 -4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.862 -5.263 -2.986 1.00 0.00 H new ATOM 866 N ARG A 57 3.811 -3.499 -3.031 1.00 0.00 N ATOM 867 CA ARG A 57 5.270 -3.550 -3.093 1.00 0.00 C ATOM 868 C ARG A 57 5.847 -4.332 -1.908 1.00 0.00 C ATOM 869 O ARG A 57 6.945 -4.883 -1.997 1.00 0.00 O ATOM 870 CB ARG A 57 5.854 -2.136 -3.127 1.00 0.00 C ATOM 871 CG ARG A 57 5.666 -1.425 -4.461 1.00 0.00 C ATOM 872 CD ARG A 57 6.640 -1.935 -5.514 1.00 0.00 C ATOM 873 NE ARG A 57 6.337 -3.306 -5.934 1.00 0.00 N ATOM 874 CZ ARG A 57 7.115 -4.368 -5.683 1.00 0.00 C ATOM 875 NH1 ARG A 57 8.254 -4.238 -5.003 1.00 0.00 N ATOM 876 NH2 ARG A 57 6.745 -5.570 -6.112 1.00 0.00 N ATOM 0 H ARG A 57 3.429 -2.579 -2.812 1.00 0.00 H new ATOM 0 HA ARG A 57 5.548 -4.069 -4.010 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.389 -1.542 -2.341 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.919 -2.187 -2.900 1.00 0.00 H new ATOM 0 HG2 ARG A 57 4.644 -1.571 -4.810 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.806 -0.353 -4.325 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.611 -1.277 -6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.654 -1.895 -5.117 1.00 0.00 H new ATOM 0 HE ARG A 57 5.474 -3.463 -6.454 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.545 -3.320 -4.665 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.835 -5.056 -4.820 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.873 -5.681 -6.629 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.333 -6.382 -5.924 1.00 0.00 H new ATOM 890 N TYR A 58 5.100 -4.371 -0.801 1.00 0.00 N ATOM 891 CA TYR A 58 5.517 -5.098 0.398 1.00 0.00 C ATOM 892 C TYR A 58 5.346 -6.605 0.201 1.00 0.00 C ATOM 893 O TYR A 58 6.263 -7.387 0.457 1.00 0.00 O ATOM 894 CB TYR A 58 4.696 -4.635 1.605 1.00 0.00 C ATOM 895 CG TYR A 58 5.027 -5.360 2.892 1.00 0.00 C ATOM 896 CD1 TYR A 58 6.065 -4.927 3.705 1.00 0.00 C ATOM 897 CD2 TYR A 58 4.300 -6.473 3.293 1.00 0.00 C ATOM 898 CE1 TYR A 58 6.372 -5.583 4.881 1.00 0.00 C ATOM 899 CE2 TYR A 58 4.598 -7.135 4.468 1.00 0.00 C ATOM 900 CZ TYR A 58 5.635 -6.686 5.258 1.00 0.00 C ATOM 901 OH TYR A 58 5.934 -7.343 6.431 1.00 0.00 O ATOM 0 H TYR A 58 4.198 -3.904 -0.712 1.00 0.00 H new ATOM 0 HA TYR A 58 6.571 -4.888 0.579 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.855 -3.567 1.751 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.637 -4.772 1.385 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.643 -4.062 3.413 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.488 -6.827 2.676 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.184 -5.234 5.502 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.022 -7.999 4.766 1.00 0.00 H new ATOM 0 HH TYR A 58 5.320 -8.097 6.549 1.00 0.00 H new ATOM 911 N LYS A 59 4.153 -6.995 -0.255 1.00 0.00 N ATOM 912 CA LYS A 59 3.826 -8.397 -0.503 1.00 0.00 C ATOM 913 C LYS A 59 4.400 -8.887 -1.837 1.00 0.00 C ATOM 914 O LYS A 59 4.475 -10.094 -2.077 1.00 0.00 O ATOM 915 CB LYS A 59 2.307 -8.578 -0.493 1.00 0.00 C ATOM 916 CG LYS A 59 1.681 -8.383 0.879 1.00 0.00 C ATOM 917 CD LYS A 59 2.147 -9.449 1.861 1.00 0.00 C ATOM 918 CE LYS A 59 1.567 -9.227 3.249 1.00 0.00 C ATOM 919 NZ LYS A 59 1.974 -10.297 4.201 1.00 0.00 N ATOM 0 H LYS A 59 3.391 -6.349 -0.461 1.00 0.00 H new ATOM 0 HA LYS A 59 4.277 -8.993 0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.860 -7.870 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.066 -9.578 -0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.940 -7.396 1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.595 -8.416 0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.852 -10.433 1.497 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.236 -9.442 1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.896 -8.260 3.629 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.479 -9.192 3.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.557 -10.108 5.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.639 -11.218 3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.011 -10.314 4.281 1.00 0.00 H new ATOM 933 N LYS A 60 4.797 -7.945 -2.703 1.00 0.00 N ATOM 934 CA LYS A 60 5.368 -8.265 -4.011 1.00 0.00 C ATOM 935 C LYS A 60 4.305 -8.811 -4.966 1.00 0.00 C ATOM 936 O LYS A 60 4.259 -10.011 -5.247 1.00 0.00 O ATOM 937 CB LYS A 60 6.531 -9.262 -3.879 1.00 0.00 C ATOM 938 CG LYS A 60 7.617 -8.817 -2.912 1.00 0.00 C ATOM 939 CD LYS A 60 8.271 -7.519 -3.359 1.00 0.00 C ATOM 940 CE LYS A 60 9.394 -7.106 -2.420 1.00 0.00 C ATOM 941 NZ LYS A 60 8.896 -6.791 -1.051 1.00 0.00 N ATOM 0 H LYS A 60 4.730 -6.945 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 60 5.756 -7.337 -4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.137 -10.224 -3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.975 -9.419 -4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.188 -8.685 -1.919 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.374 -9.597 -2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.665 -7.638 -4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.521 -6.729 -3.401 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.130 -7.908 -2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.905 -6.234 -2.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.669 -6.386 -0.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.117 -6.105 -1.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.554 -7.662 -0.597 1.00 0.00 H new ATOM 955 N LEU A 61 3.444 -7.915 -5.449 1.00 0.00 N ATOM 956 CA LEU A 61 2.385 -8.297 -6.390 1.00 0.00 C ATOM 957 C LEU A 61 1.724 -7.073 -7.037 1.00 0.00 C ATOM 958 O LEU A 61 0.547 -7.114 -7.396 1.00 0.00 O ATOM 959 CB LEU A 61 1.334 -9.165 -5.687 1.00 0.00 C ATOM 960 CG LEU A 61 0.486 -8.443 -4.634 1.00 0.00 C ATOM 961 CD1 LEU A 61 -0.693 -9.306 -4.213 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.327 -8.075 -3.423 1.00 0.00 C ATOM 0 H LEU A 61 3.457 -6.924 -5.207 1.00 0.00 H new ATOM 0 HA LEU A 61 2.849 -8.876 -7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.668 -9.583 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.840 -10.004 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 61 0.104 -7.525 -5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.283 -8.776 -3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.316 -9.520 -5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.327 -10.241 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.704 -7.564 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.742 -8.980 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.140 -7.417 -3.731 1.00 0.00 H new ATOM 974 N TYR A 62 2.492 -5.995 -7.209 1.00 0.00 N ATOM 975 CA TYR A 62 1.981 -4.763 -7.816 1.00 0.00 C ATOM 976 C TYR A 62 1.471 -4.983 -9.253 1.00 0.00 C ATOM 977 O TYR A 62 0.731 -4.151 -9.782 1.00 0.00 O ATOM 978 CB TYR A 62 3.086 -3.704 -7.816 1.00 0.00 C ATOM 979 CG TYR A 62 2.607 -2.305 -8.135 1.00 0.00 C ATOM 980 CD1 TYR A 62 2.140 -1.469 -7.130 1.00 0.00 C ATOM 981 CD2 TYR A 62 2.629 -1.819 -9.437 1.00 0.00 C ATOM 982 CE1 TYR A 62 1.708 -0.190 -7.412 1.00 0.00 C ATOM 983 CE2 TYR A 62 2.196 -0.541 -9.727 1.00 0.00 C ATOM 984 CZ TYR A 62 1.736 0.271 -8.711 1.00 0.00 C ATOM 985 OH TYR A 62 1.308 1.548 -8.993 1.00 0.00 O ATOM 0 H TYR A 62 3.474 -5.950 -6.936 1.00 0.00 H new ATOM 0 HA TYR A 62 1.132 -4.428 -7.221 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.566 -3.697 -6.838 1.00 0.00 H new ATOM 0 HB3 TYR A 62 3.847 -3.990 -8.542 1.00 0.00 H new ATOM 0 HD1 TYR A 62 2.115 -1.826 -6.111 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.991 -2.451 -10.234 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.349 0.448 -6.618 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.217 -0.178 -10.744 1.00 0.00 H new ATOM 0 HH TYR A 62 1.394 1.717 -9.955 1.00 0.00 H new ATOM 995 N ASN A 63 1.857 -6.103 -9.874 1.00 0.00 N ATOM 996 CA ASN A 63 1.456 -6.403 -11.250 1.00 0.00 C ATOM 997 C ASN A 63 -0.026 -6.775 -11.378 1.00 0.00 C ATOM 998 O ASN A 63 -0.815 -5.997 -11.918 1.00 0.00 O ATOM 999 CB ASN A 63 2.325 -7.529 -11.822 1.00 0.00 C ATOM 1000 CG ASN A 63 3.778 -7.121 -11.980 1.00 0.00 C ATOM 1001 OD1 ASN A 63 4.173 -6.587 -13.017 1.00 0.00 O ATOM 1002 ND2 ASN A 63 4.584 -7.373 -10.954 1.00 0.00 N ATOM 0 H ASN A 63 2.447 -6.816 -9.444 1.00 0.00 H new ATOM 0 HA ASN A 63 1.605 -5.488 -11.823 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.265 -8.398 -11.167 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.929 -7.832 -12.791 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.571 -7.122 -11.007 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.215 -7.817 -10.113 1.00 0.00 H new ATOM 1009 N GLN A 64 -0.405 -7.959 -10.881 1.00 0.00 N ATOM 1010 CA GLN A 64 -1.792 -8.429 -10.995 1.00 0.00 C ATOM 1011 C GLN A 64 -2.676 -7.986 -9.825 1.00 0.00 C ATOM 1012 O GLN A 64 -3.891 -8.162 -9.893 1.00 0.00 O ATOM 1013 CB GLN A 64 -1.829 -9.954 -11.120 1.00 0.00 C ATOM 1014 CG GLN A 64 -1.642 -10.460 -12.543 1.00 0.00 C ATOM 1015 CD GLN A 64 -0.271 -10.139 -13.110 1.00 0.00 C ATOM 1016 OE1 GLN A 64 0.673 -10.911 -12.954 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -0.156 -8.993 -13.776 1.00 0.00 N ATOM 0 H GLN A 64 0.222 -8.604 -10.400 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.199 -7.970 -11.896 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -1.050 -10.380 -10.488 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -2.783 -10.317 -10.738 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.794 -11.539 -12.562 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.406 -10.019 -13.183 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.965 -8.381 -13.882 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.741 -8.726 -14.181 1.00 0.00 H new ATOM 1026 N ALA A 65 -2.109 -7.414 -8.767 1.00 0.00 N ATOM 1027 CA ALA A 65 -2.926 -6.995 -7.626 1.00 0.00 C ATOM 1028 C ALA A 65 -3.732 -5.736 -7.948 1.00 0.00 C ATOM 1029 O ALA A 65 -4.903 -5.630 -7.583 1.00 0.00 O ATOM 1030 CB ALA A 65 -2.058 -6.770 -6.402 1.00 0.00 C ATOM 0 H ALA A 65 -1.110 -7.232 -8.673 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.632 -7.798 -7.412 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.683 -6.459 -5.565 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.543 -7.696 -6.146 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.324 -5.993 -6.615 1.00 0.00 H new ATOM 1036 N ARG A 66 -3.093 -4.788 -8.636 1.00 0.00 N ATOM 1037 CA ARG A 66 -3.739 -3.530 -9.015 1.00 0.00 C ATOM 1038 C ARG A 66 -4.914 -3.761 -9.978 1.00 0.00 C ATOM 1039 O ARG A 66 -5.866 -2.980 -9.993 1.00 0.00 O ATOM 1040 CB ARG A 66 -2.713 -2.587 -9.651 1.00 0.00 C ATOM 1041 CG ARG A 66 -3.246 -1.189 -9.929 1.00 0.00 C ATOM 1042 CD ARG A 66 -2.153 -0.265 -10.450 1.00 0.00 C ATOM 1043 NE ARG A 66 -1.578 -0.734 -11.713 1.00 0.00 N ATOM 1044 CZ ARG A 66 -0.734 -0.021 -12.463 1.00 0.00 C ATOM 1045 NH1 ARG A 66 -0.380 1.209 -12.099 1.00 0.00 N ATOM 1046 NH2 ARG A 66 -0.248 -0.538 -13.586 1.00 0.00 N ATOM 0 H ARG A 66 -2.124 -4.869 -8.943 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.140 -3.074 -8.109 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.848 -2.511 -8.992 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.364 -3.024 -10.586 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.054 -1.246 -10.659 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.670 -0.773 -9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.563 0.735 -10.590 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.364 -0.184 -9.703 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.839 -1.664 -12.040 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.754 1.614 -11.241 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.265 1.746 -12.678 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.520 -1.478 -13.874 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.397 0.005 -14.160 1.00 0.00 H new ATOM 1060 N VAL A 67 -4.844 -4.834 -10.773 1.00 0.00 N ATOM 1061 CA VAL A 67 -5.904 -5.148 -11.736 1.00 0.00 C ATOM 1062 C VAL A 67 -6.946 -6.109 -11.150 1.00 0.00 C ATOM 1063 O VAL A 67 -8.140 -5.973 -11.423 1.00 0.00 O ATOM 1064 CB VAL A 67 -5.329 -5.744 -13.043 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -4.654 -7.086 -12.788 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -6.420 -5.882 -14.097 1.00 0.00 C ATOM 0 H VAL A 67 -4.068 -5.496 -10.769 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.396 -4.203 -11.966 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.572 -5.056 -13.419 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.260 -7.479 -13.725 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.837 -6.953 -12.078 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.381 -7.787 -12.378 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.995 -6.303 -15.008 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.204 -6.541 -13.725 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.843 -4.901 -14.314 1.00 0.00 H new ATOM 1076 N LYS A 68 -6.494 -7.075 -10.346 1.00 0.00 N ATOM 1077 CA LYS A 68 -7.397 -8.053 -9.731 1.00 0.00 C ATOM 1078 C LYS A 68 -8.281 -7.402 -8.670 1.00 0.00 C ATOM 1079 O LYS A 68 -9.432 -7.797 -8.486 1.00 0.00 O ATOM 1080 CB LYS A 68 -6.602 -9.201 -9.103 1.00 0.00 C ATOM 1081 CG LYS A 68 -6.076 -10.204 -10.118 1.00 0.00 C ATOM 1082 CD LYS A 68 -5.247 -11.291 -9.452 1.00 0.00 C ATOM 1083 CE LYS A 68 -4.756 -12.320 -10.461 1.00 0.00 C ATOM 1084 NZ LYS A 68 -5.881 -13.019 -11.144 1.00 0.00 N ATOM 0 H LYS A 68 -5.511 -7.201 -10.106 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.037 -8.448 -10.520 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.762 -8.787 -8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.236 -9.721 -8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.913 -10.658 -10.649 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.469 -9.687 -10.861 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.393 -10.840 -8.947 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.844 -11.787 -8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.131 -11.827 -11.206 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.129 -13.053 -9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.519 -13.860 -11.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.589 -13.308 -10.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.321 -12.377 -11.833 1.00 0.00 H new ATOM 1098 N TYR A 69 -7.730 -6.412 -7.969 1.00 0.00 N ATOM 1099 CA TYR A 69 -8.463 -5.705 -6.925 1.00 0.00 C ATOM 1100 C TYR A 69 -8.707 -4.251 -7.322 1.00 0.00 C ATOM 1101 O TYR A 69 -7.973 -3.691 -8.140 1.00 0.00 O ATOM 1102 CB TYR A 69 -7.684 -5.763 -5.608 1.00 0.00 C ATOM 1103 CG TYR A 69 -7.660 -7.133 -4.964 1.00 0.00 C ATOM 1104 CD1 TYR A 69 -7.128 -8.231 -5.631 1.00 0.00 C ATOM 1105 CD2 TYR A 69 -8.165 -7.323 -3.685 1.00 0.00 C ATOM 1106 CE1 TYR A 69 -7.103 -9.480 -5.040 1.00 0.00 C ATOM 1107 CE2 TYR A 69 -8.142 -8.567 -3.089 1.00 0.00 C ATOM 1108 CZ TYR A 69 -7.610 -9.643 -3.769 1.00 0.00 C ATOM 1109 OH TYR A 69 -7.589 -10.886 -3.176 1.00 0.00 O ATOM 0 H TYR A 69 -6.775 -6.082 -8.107 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.429 -6.192 -6.794 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.659 -5.441 -5.790 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.122 -5.052 -4.908 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.728 -8.106 -6.626 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.582 -6.484 -3.148 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -6.688 -10.324 -5.571 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.539 -8.698 -2.093 1.00 0.00 H new ATOM 0 HH TYR A 69 -8.303 -10.942 -2.507 1.00 0.00 H new ATOM 1119 N SER A 70 -9.744 -3.648 -6.741 1.00 0.00 N ATOM 1120 CA SER A 70 -10.084 -2.258 -7.034 1.00 0.00 C ATOM 1121 C SER A 70 -9.118 -1.300 -6.334 1.00 0.00 C ATOM 1122 O SER A 70 -9.370 -0.856 -5.211 1.00 0.00 O ATOM 1123 CB SER A 70 -11.526 -1.959 -6.612 1.00 0.00 C ATOM 1124 OG SER A 70 -11.904 -0.642 -6.977 1.00 0.00 O ATOM 0 H SER A 70 -10.361 -4.100 -6.066 1.00 0.00 H new ATOM 0 HA SER A 70 -9.995 -2.108 -8.110 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.201 -2.677 -7.079 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.625 -2.083 -5.534 1.00 0.00 H new ATOM 0 HG SER A 70 -12.829 -0.478 -6.698 1.00 0.00 H new ATOM 1130 N LEU A 71 -8.004 -0.999 -7.003 1.00 0.00 N ATOM 1131 CA LEU A 71 -6.996 -0.091 -6.462 1.00 0.00 C ATOM 1132 C LEU A 71 -6.824 1.123 -7.373 1.00 0.00 C ATOM 1133 O LEU A 71 -7.328 2.207 -7.073 1.00 0.00 O ATOM 1134 CB LEU A 71 -5.653 -0.813 -6.285 1.00 0.00 C ATOM 1135 CG LEU A 71 -5.563 -1.751 -5.077 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -6.450 -2.970 -5.270 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -4.123 -2.173 -4.835 1.00 0.00 C ATOM 0 H LEU A 71 -7.778 -1.374 -7.924 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.337 0.250 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.449 -1.390 -7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.866 -0.064 -6.201 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.917 -1.209 -4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.369 -3.621 -4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.485 -2.651 -5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.133 -3.514 -6.160 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.079 -2.839 -3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.743 -2.693 -5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.513 -1.291 -4.643 1.00 0.00 H new ATOM 1149 N LEU A 72 -6.116 0.933 -8.489 1.00 0.00 N ATOM 1150 CA LEU A 72 -5.879 2.008 -9.448 1.00 0.00 C ATOM 1151 C LEU A 72 -6.258 1.562 -10.858 1.00 0.00 C ATOM 1152 O LEU A 72 -5.526 0.804 -11.499 1.00 0.00 O ATOM 1153 CB LEU A 72 -4.409 2.453 -9.417 1.00 0.00 C ATOM 1154 CG LEU A 72 -3.989 3.306 -8.211 1.00 0.00 C ATOM 1155 CD1 LEU A 72 -4.912 4.506 -8.048 1.00 0.00 C ATOM 1156 CD2 LEU A 72 -3.961 2.471 -6.939 1.00 0.00 C ATOM 0 H LEU A 72 -5.697 0.040 -8.749 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.505 2.854 -9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.780 1.563 -9.444 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.202 3.018 -10.326 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.980 3.676 -8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.595 5.095 -7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.869 5.123 -8.946 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.934 4.160 -7.894 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.661 3.097 -6.099 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.954 2.062 -6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.249 1.654 -7.055 1.00 0.00 H new ATOM 1168 N GLU A 73 -7.415 2.027 -11.331 1.00 0.00 N ATOM 1169 CA GLU A 73 -7.899 1.681 -12.665 1.00 0.00 C ATOM 1170 C GLU A 73 -8.926 2.701 -13.161 1.00 0.00 C ATOM 1171 O GLU A 73 -9.934 2.926 -12.457 1.00 0.00 O ATOM 1172 CB GLU A 73 -8.494 0.264 -12.684 1.00 0.00 C ATOM 1173 CG GLU A 73 -9.558 0.005 -11.621 1.00 0.00 C ATOM 1174 CD GLU A 73 -8.976 -0.197 -10.234 1.00 0.00 C ATOM 1175 OE1 GLU A 73 -8.277 -1.212 -10.023 1.00 0.00 O ATOM 1176 OE2 GLU A 73 -9.220 0.659 -9.357 1.00 0.00 O ATOM 0 H GLU A 73 -8.035 2.646 -10.808 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.045 1.703 -13.342 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.929 0.080 -13.666 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.686 -0.456 -12.553 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.253 0.845 -11.598 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.134 -0.878 -11.899 1.00 0.00 H new TER 1183 GLU A 73