USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 664 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 51 SER OG : rot 53:sc= 1.26 USER MOD Set 1.2: A 56 THR OG1 : rot 107:sc= 1.13 USER MOD Set 2.1: A 35 GLN :FLIP amide:sc= 0.515 F(o=0.44,f=1.1) USER MOD Set 2.2: A 50 SER OG : rot -28:sc= 0.595 USER MOD Set 3.1: A 36 SER OG : rot -144:sc= 0.222 USER MOD Set 3.2: A 40 LYS NZ :NH3+ -175:sc= 0.242 (180deg=-0.198) USER MOD Set 4.1: A 33 MET CE :methyl -160:sc= -0.128 (180deg=-0.738) USER MOD Set 4.2: A 37 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 21 THR OG1 : rot 180:sc= 0.00522 USER MOD Set 6.1: A 1 MET CE :methyl -162:sc= 0 (180deg=0) USER MOD Set 6.2: A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.704 (180deg=-2.05!) USER MOD Single : A 4 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.23) USER MOD Single : A 5 HIS : no HD1:sc=-0.00507 X(o=-0.0051,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.16) USER MOD Single : A 7 HIS : no HD1:sc= -0.875 X(o=-0.88,f=-0.61) USER MOD Single : A 8 HIS : no HD1:sc= -0.0757 X(o=-0.076,f=0) USER MOD Single : A 9 SER OG : rot 138:sc= 0.71 USER MOD Single : A 10 HIS : no HD1:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 11 MET CE :methyl 179:sc= 0 (180deg=-0.00229) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 19 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.004) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc=-3.17e-05 X(o=-3.2e-05,f=-0.19) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00203) USER MOD Single : A 34 ASN : amide:sc= -0.461 K(o=-0.46,f=-4.1!) USER MOD Single : A 42 CYS SG : rot -38:sc= -1.94! USER MOD Single : A 45 SER OG : rot 180:sc= -0.099 USER MOD Single : A 46 GLN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.359 K(o=-0.36,f=-3.3!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0159 K(o=-0.016,f=-1.4) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -137:sc= -2.53! (180deg=-6.47!) USER MOD Single : A 66 CYS SG : rot -27:sc= 0.0681 USER MOD Single : A 67 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -145:sc= 1.27 (180deg=1.14) USER MOD Single : A 75 HIS : no HD1:sc=-0.000569 X(o=-0.00057,f=-0.00057) USER MOD Single : A 77 LYS NZ :NH3+ -171:sc= 1.33 (180deg=1.21) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -170:sc= -0.0363 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.977 4.823 10.526 1.00 3.40 N ATOM 2 CA MET A 1 4.703 5.103 11.795 1.00 74.22 C ATOM 3 C MET A 1 6.213 4.867 11.628 1.00 14.12 C ATOM 4 O MET A 1 6.984 5.815 11.480 1.00 44.24 O ATOM 5 CB MET A 1 4.143 4.218 12.919 1.00 24.04 C ATOM 6 CG MET A 1 4.693 4.541 14.303 1.00 61.23 C ATOM 7 SD MET A 1 4.053 3.437 15.578 1.00 53.03 S ATOM 8 CE MET A 1 4.756 4.172 17.053 1.00 51.13 C ATOM 0 H1 MET A 1 3.470 5.678 10.220 1.00 3.40 H new ATOM 0 H2 MET A 1 4.658 4.542 9.791 1.00 3.40 H new ATOM 0 H3 MET A 1 3.295 4.053 10.679 1.00 3.40 H new ATOM 0 HA MET A 1 4.555 6.151 12.057 1.00 74.22 H new ATOM 0 HB2 MET A 1 3.058 4.319 12.939 1.00 24.04 H new ATOM 0 HB3 MET A 1 4.362 3.175 12.688 1.00 24.04 H new ATOM 0 HG2 MET A 1 5.781 4.474 14.282 1.00 61.23 H new ATOM 0 HG3 MET A 1 4.441 5.570 14.559 1.00 61.23 H new ATOM 0 HE1 MET A 1 4.728 3.449 17.869 1.00 51.13 H new ATOM 0 HE2 MET A 1 5.789 4.460 16.859 1.00 51.13 H new ATOM 0 HE3 MET A 1 4.179 5.055 17.330 1.00 51.13 H new ATOM 20 N GLY A 2 6.625 3.599 11.642 1.00 24.43 N ATOM 21 CA GLY A 2 8.028 3.251 11.437 1.00 10.41 C ATOM 22 C GLY A 2 8.959 3.647 12.584 1.00 53.52 C ATOM 23 O GLY A 2 8.667 4.557 13.366 1.00 42.14 O ATOM 0 H GLY A 2 6.009 2.800 11.793 1.00 24.43 H new ATOM 0 HA2 GLY A 2 8.102 2.175 11.282 1.00 10.41 H new ATOM 0 HA3 GLY A 2 8.377 3.730 10.522 1.00 10.41 H new ATOM 27 N HIS A 3 10.085 2.942 12.684 1.00 42.44 N ATOM 28 CA HIS A 3 11.153 3.270 13.641 1.00 10.12 C ATOM 29 C HIS A 3 12.525 3.085 12.978 1.00 41.24 C ATOM 30 O HIS A 3 13.301 4.033 12.833 1.00 4.53 O ATOM 31 CB HIS A 3 11.046 2.394 14.899 1.00 64.35 C ATOM 32 CG HIS A 3 9.840 2.699 15.737 1.00 21.54 C ATOM 33 ND1 HIS A 3 8.702 1.923 15.739 1.00 2.55 N ATOM 34 CD2 HIS A 3 9.600 3.710 16.605 1.00 64.31 C ATOM 35 CE1 HIS A 3 7.817 2.441 16.564 1.00 13.35 C ATOM 36 NE2 HIS A 3 8.335 3.524 17.102 1.00 51.31 N ATOM 0 H HIS A 3 10.287 2.126 12.106 1.00 42.44 H new ATOM 0 HA HIS A 3 11.041 4.312 13.942 1.00 10.12 H new ATOM 0 HB2 HIS A 3 11.017 1.346 14.601 1.00 64.35 H new ATOM 0 HB3 HIS A 3 11.943 2.529 15.504 1.00 64.35 H new ATOM 0 HD2 HIS A 3 10.277 4.512 16.858 1.00 64.31 H new ATOM 0 HE1 HIS A 3 6.833 2.044 16.765 1.00 13.35 H new ATOM 0 HE2 HIS A 3 7.871 4.128 17.780 1.00 51.31 H new ATOM 45 N HIS A 4 12.804 1.855 12.561 1.00 33.31 N ATOM 46 CA HIS A 4 14.007 1.542 11.788 1.00 14.54 C ATOM 47 C HIS A 4 13.635 1.275 10.320 1.00 13.20 C ATOM 48 O HIS A 4 13.103 0.217 9.985 1.00 44.32 O ATOM 49 CB HIS A 4 14.750 0.342 12.405 1.00 64.25 C ATOM 50 CG HIS A 4 13.845 -0.755 12.887 1.00 14.45 C ATOM 51 ND1 HIS A 4 13.351 -0.806 14.176 1.00 73.32 N ATOM 52 CD2 HIS A 4 13.343 -1.846 12.256 1.00 53.02 C ATOM 53 CE1 HIS A 4 12.586 -1.871 14.313 1.00 52.33 C ATOM 54 NE2 HIS A 4 12.566 -2.515 13.166 1.00 60.34 N ATOM 0 H HIS A 4 12.208 1.048 12.746 1.00 33.31 H new ATOM 0 HA HIS A 4 14.681 2.398 11.818 1.00 14.54 H new ATOM 0 HB2 HIS A 4 15.437 -0.067 11.664 1.00 64.25 H new ATOM 0 HB3 HIS A 4 15.355 0.693 13.241 1.00 64.25 H new ATOM 0 HD2 HIS A 4 13.522 -2.133 11.230 1.00 53.02 H new ATOM 0 HE1 HIS A 4 12.065 -2.164 15.212 1.00 52.33 H new ATOM 0 HE2 HIS A 4 12.053 -3.377 12.982 1.00 60.34 H new ATOM 63 N HIS A 5 13.898 2.255 9.456 1.00 63.34 N ATOM 64 CA HIS A 5 13.501 2.177 8.040 1.00 45.25 C ATOM 65 C HIS A 5 14.714 2.322 7.108 1.00 35.40 C ATOM 66 O HIS A 5 15.707 2.959 7.462 1.00 40.15 O ATOM 67 CB HIS A 5 12.460 3.266 7.724 1.00 12.40 C ATOM 68 CG HIS A 5 12.964 4.669 7.923 1.00 25.23 C ATOM 69 ND1 HIS A 5 12.793 5.369 9.097 1.00 22.32 N ATOM 70 CD2 HIS A 5 13.641 5.504 7.091 1.00 44.45 C ATOM 71 CE1 HIS A 5 13.336 6.562 8.982 1.00 0.34 C ATOM 72 NE2 HIS A 5 13.856 6.670 7.779 1.00 72.20 N ATOM 0 H HIS A 5 14.385 3.116 9.707 1.00 63.34 H new ATOM 0 HA HIS A 5 13.061 1.195 7.868 1.00 45.25 H new ATOM 0 HB2 HIS A 5 12.132 3.152 6.691 1.00 12.40 H new ATOM 0 HB3 HIS A 5 11.585 3.112 8.355 1.00 12.40 H new ATOM 0 HD2 HIS A 5 13.951 5.289 6.079 1.00 44.45 H new ATOM 0 HE1 HIS A 5 13.352 7.324 9.747 1.00 0.34 H new ATOM 0 HE2 HIS A 5 14.342 7.490 7.416 1.00 72.20 H new ATOM 81 N HIS A 6 14.633 1.726 5.921 1.00 1.21 N ATOM 82 CA HIS A 6 15.713 1.819 4.925 1.00 25.21 C ATOM 83 C HIS A 6 15.159 1.841 3.492 1.00 1.21 C ATOM 84 O HIS A 6 14.099 1.276 3.214 1.00 15.05 O ATOM 85 CB HIS A 6 16.683 0.635 5.064 1.00 62.41 C ATOM 86 CG HIS A 6 17.362 0.541 6.397 1.00 52.33 C ATOM 87 ND1 HIS A 6 17.082 -0.449 7.315 1.00 13.54 N ATOM 88 CD2 HIS A 6 18.322 1.309 6.964 1.00 12.11 C ATOM 89 CE1 HIS A 6 17.833 -0.286 8.383 1.00 52.12 C ATOM 90 NE2 HIS A 6 18.595 0.772 8.197 1.00 2.20 N ATOM 0 H HIS A 6 13.832 1.171 5.619 1.00 1.21 H new ATOM 0 HA HIS A 6 16.241 2.754 5.114 1.00 25.21 H new ATOM 0 HB2 HIS A 6 16.135 -0.290 4.883 1.00 62.41 H new ATOM 0 HB3 HIS A 6 17.444 0.712 4.287 1.00 62.41 H new ATOM 0 HD2 HIS A 6 18.786 2.181 6.528 1.00 12.11 H new ATOM 0 HE1 HIS A 6 17.826 -0.913 9.262 1.00 52.12 H new ATOM 0 HE2 HIS A 6 19.278 1.134 8.862 1.00 2.20 H new ATOM 99 N HIS A 7 15.876 2.495 2.578 1.00 32.33 N ATOM 100 CA HIS A 7 15.541 2.411 1.154 1.00 24.34 C ATOM 101 C HIS A 7 16.323 1.254 0.505 1.00 10.24 C ATOM 102 O HIS A 7 17.490 1.393 0.145 1.00 74.12 O ATOM 103 CB HIS A 7 15.799 3.750 0.425 1.00 11.42 C ATOM 104 CG HIS A 7 17.232 4.208 0.399 1.00 63.51 C ATOM 105 ND1 HIS A 7 17.813 4.927 1.420 1.00 21.34 N ATOM 106 CD2 HIS A 7 18.197 4.064 -0.545 1.00 21.43 C ATOM 107 CE1 HIS A 7 19.062 5.201 1.110 1.00 24.14 C ATOM 108 NE2 HIS A 7 19.322 4.690 -0.073 1.00 2.32 N ATOM 0 H HIS A 7 16.682 3.082 2.792 1.00 32.33 H new ATOM 0 HA HIS A 7 14.474 2.208 1.061 1.00 24.34 H new ATOM 0 HB2 HIS A 7 15.447 3.658 -0.602 1.00 11.42 H new ATOM 0 HB3 HIS A 7 15.197 4.524 0.900 1.00 11.42 H new ATOM 0 HD2 HIS A 7 18.097 3.552 -1.491 1.00 21.43 H new ATOM 0 HE1 HIS A 7 19.757 5.753 1.725 1.00 24.14 H new ATOM 0 HE2 HIS A 7 20.216 4.750 -0.561 1.00 2.32 H new ATOM 117 N HIS A 8 15.686 0.091 0.406 1.00 13.41 N ATOM 118 CA HIS A 8 16.355 -1.104 -0.121 1.00 31.44 C ATOM 119 C HIS A 8 16.414 -1.085 -1.658 1.00 1.43 C ATOM 120 O HIS A 8 17.392 -1.533 -2.259 1.00 2.24 O ATOM 121 CB HIS A 8 15.641 -2.372 0.366 1.00 70.34 C ATOM 122 CG HIS A 8 16.462 -3.619 0.211 1.00 70.44 C ATOM 123 ND1 HIS A 8 16.944 -4.338 1.284 1.00 22.00 N ATOM 124 CD2 HIS A 8 16.891 -4.275 -0.894 1.00 44.00 C ATOM 125 CE1 HIS A 8 17.634 -5.371 0.849 1.00 21.14 C ATOM 126 NE2 HIS A 8 17.616 -5.358 -0.467 1.00 43.33 N ATOM 0 H HIS A 8 14.714 -0.054 0.680 1.00 13.41 H new ATOM 0 HA HIS A 8 17.379 -1.104 0.253 1.00 31.44 H new ATOM 0 HB2 HIS A 8 15.376 -2.249 1.416 1.00 70.34 H new ATOM 0 HB3 HIS A 8 14.709 -2.489 -0.187 1.00 70.34 H new ATOM 0 HD2 HIS A 8 16.698 -3.997 -1.920 1.00 44.00 H new ATOM 0 HE1 HIS A 8 18.131 -6.105 1.467 1.00 21.14 H new ATOM 0 HE2 HIS A 8 18.069 -6.043 -1.072 1.00 43.33 H new ATOM 135 N SER A 9 15.359 -0.574 -2.287 1.00 74.31 N ATOM 136 CA SER A 9 15.283 -0.503 -3.754 1.00 13.04 C ATOM 137 C SER A 9 14.397 0.666 -4.201 1.00 71.04 C ATOM 138 O SER A 9 13.885 1.422 -3.370 1.00 15.03 O ATOM 139 CB SER A 9 14.746 -1.824 -4.330 1.00 21.43 C ATOM 140 OG SER A 9 13.444 -2.120 -3.843 1.00 13.11 O ATOM 0 H SER A 9 14.540 -0.201 -1.807 1.00 74.31 H new ATOM 0 HA SER A 9 16.290 -0.336 -4.135 1.00 13.04 H new ATOM 0 HB2 SER A 9 14.722 -1.763 -5.418 1.00 21.43 H new ATOM 0 HB3 SER A 9 15.425 -2.636 -4.071 1.00 21.43 H new ATOM 0 HG SER A 9 12.890 -2.460 -4.576 1.00 13.11 H new ATOM 146 N HIS A 10 14.210 0.813 -5.511 1.00 71.30 N ATOM 147 CA HIS A 10 13.423 1.928 -6.056 1.00 31.32 C ATOM 148 C HIS A 10 11.914 1.667 -5.899 1.00 14.44 C ATOM 149 O HIS A 10 11.232 1.277 -6.846 1.00 33.52 O ATOM 150 CB HIS A 10 13.788 2.170 -7.530 1.00 1.12 C ATOM 151 CG HIS A 10 15.235 2.519 -7.740 1.00 73.03 C ATOM 152 ND1 HIS A 10 15.660 3.728 -8.251 1.00 51.33 N ATOM 153 CD2 HIS A 10 16.363 1.804 -7.506 1.00 22.10 C ATOM 154 CE1 HIS A 10 16.975 3.738 -8.322 1.00 4.04 C ATOM 155 NE2 HIS A 10 17.426 2.584 -7.876 1.00 14.22 N ATOM 0 H HIS A 10 14.589 0.180 -6.215 1.00 71.30 H new ATOM 0 HA HIS A 10 13.665 2.827 -5.489 1.00 31.32 H new ATOM 0 HB2 HIS A 10 13.551 1.276 -8.106 1.00 1.12 H new ATOM 0 HB3 HIS A 10 13.168 2.976 -7.922 1.00 1.12 H new ATOM 0 HD2 HIS A 10 16.414 0.804 -7.102 1.00 22.10 H new ATOM 0 HE1 HIS A 10 17.581 4.555 -8.685 1.00 4.04 H new ATOM 0 HE2 HIS A 10 18.408 2.315 -7.816 1.00 14.22 H new ATOM 164 N MET A 11 11.409 1.880 -4.685 1.00 22.14 N ATOM 165 CA MET A 11 10.004 1.602 -4.351 1.00 24.30 C ATOM 166 C MET A 11 9.053 2.729 -4.808 1.00 13.41 C ATOM 167 O MET A 11 7.851 2.511 -4.966 1.00 11.33 O ATOM 168 CB MET A 11 9.884 1.386 -2.833 1.00 12.11 C ATOM 169 CG MET A 11 8.512 0.917 -2.366 1.00 23.30 C ATOM 170 SD MET A 11 8.439 0.672 -0.577 1.00 11.41 S ATOM 171 CE MET A 11 6.747 0.116 -0.384 1.00 54.24 C ATOM 0 H MET A 11 11.955 2.248 -3.906 1.00 22.14 H new ATOM 0 HA MET A 11 9.702 0.702 -4.887 1.00 24.30 H new ATOM 0 HB2 MET A 11 10.629 0.653 -2.524 1.00 12.11 H new ATOM 0 HB3 MET A 11 10.126 2.320 -2.326 1.00 12.11 H new ATOM 0 HG2 MET A 11 7.761 1.650 -2.660 1.00 23.30 H new ATOM 0 HG3 MET A 11 8.260 -0.017 -2.868 1.00 23.30 H new ATOM 0 HE1 MET A 11 6.551 -0.095 0.667 1.00 54.24 H new ATOM 0 HE2 MET A 11 6.067 0.894 -0.731 1.00 54.24 H new ATOM 0 HE3 MET A 11 6.592 -0.789 -0.971 1.00 54.24 H new ATOM 181 N LEU A 12 9.595 3.933 -5.016 1.00 35.02 N ATOM 182 CA LEU A 12 8.782 5.082 -5.453 1.00 42.12 C ATOM 183 C LEU A 12 8.073 4.816 -6.803 1.00 15.30 C ATOM 184 O LEU A 12 6.871 5.069 -6.934 1.00 54.31 O ATOM 185 CB LEU A 12 9.640 6.360 -5.535 1.00 31.43 C ATOM 186 CG LEU A 12 10.282 6.813 -4.213 1.00 31.11 C ATOM 187 CD1 LEU A 12 11.135 8.064 -4.427 1.00 14.41 C ATOM 188 CD2 LEU A 12 9.213 7.062 -3.147 1.00 44.21 C ATOM 0 H LEU A 12 10.586 4.141 -4.891 1.00 35.02 H new ATOM 0 HA LEU A 12 8.006 5.228 -4.702 1.00 42.12 H new ATOM 0 HB2 LEU A 12 10.432 6.199 -6.267 1.00 31.43 H new ATOM 0 HB3 LEU A 12 9.017 7.171 -5.913 1.00 31.43 H new ATOM 0 HG LEU A 12 10.933 6.013 -3.860 1.00 31.11 H new ATOM 0 HD11 LEU A 12 11.580 8.368 -3.479 1.00 14.41 H new ATOM 0 HD12 LEU A 12 11.925 7.847 -5.146 1.00 14.41 H new ATOM 0 HD13 LEU A 12 10.509 8.870 -4.809 1.00 14.41 H new ATOM 0 HD21 LEU A 12 9.690 7.381 -2.221 1.00 44.21 H new ATOM 0 HD22 LEU A 12 8.531 7.840 -3.491 1.00 44.21 H new ATOM 0 HD23 LEU A 12 8.655 6.143 -2.969 1.00 44.21 H new ATOM 200 N PRO A 13 8.795 4.328 -7.841 1.00 62.42 N ATOM 201 CA PRO A 13 8.167 3.884 -9.091 1.00 70.25 C ATOM 202 C PRO A 13 7.493 2.505 -8.933 1.00 63.42 C ATOM 203 O PRO A 13 7.756 1.788 -7.965 1.00 23.51 O ATOM 204 CB PRO A 13 9.344 3.806 -10.089 1.00 41.35 C ATOM 205 CG PRO A 13 10.527 4.381 -9.374 1.00 12.44 C ATOM 206 CD PRO A 13 10.258 4.191 -7.911 1.00 22.05 C ATOM 0 HA PRO A 13 7.375 4.559 -9.415 1.00 70.25 H new ATOM 0 HB2 PRO A 13 9.533 2.776 -10.391 1.00 41.35 H new ATOM 0 HB3 PRO A 13 9.125 4.369 -10.996 1.00 41.35 H new ATOM 0 HG2 PRO A 13 11.446 3.875 -9.671 1.00 12.44 H new ATOM 0 HG3 PRO A 13 10.653 5.437 -9.614 1.00 12.44 H new ATOM 0 HD2 PRO A 13 10.592 3.215 -7.559 1.00 22.05 H new ATOM 0 HD3 PRO A 13 10.766 4.940 -7.303 1.00 22.05 H new ATOM 214 N PRO A 14 6.601 2.113 -9.867 1.00 60.04 N ATOM 215 CA PRO A 14 5.953 0.788 -9.834 1.00 31.43 C ATOM 216 C PRO A 14 6.947 -0.356 -10.115 1.00 43.41 C ATOM 217 O PRO A 14 6.887 -1.005 -11.164 1.00 53.11 O ATOM 218 CB PRO A 14 4.887 0.874 -10.945 1.00 1.15 C ATOM 219 CG PRO A 14 4.785 2.325 -11.288 1.00 51.33 C ATOM 220 CD PRO A 14 6.140 2.911 -11.012 1.00 1.44 C ATOM 0 HA PRO A 14 5.536 0.563 -8.852 1.00 31.43 H new ATOM 0 HB2 PRO A 14 5.178 0.285 -11.815 1.00 1.15 H new ATOM 0 HB3 PRO A 14 3.929 0.484 -10.601 1.00 1.15 H new ATOM 0 HG2 PRO A 14 4.507 2.460 -12.333 1.00 51.33 H new ATOM 0 HG3 PRO A 14 4.018 2.815 -10.688 1.00 51.33 H new ATOM 0 HD2 PRO A 14 6.807 2.815 -11.869 1.00 1.44 H new ATOM 0 HD3 PRO A 14 6.082 3.972 -10.771 1.00 1.44 H new ATOM 228 N GLU A 15 7.862 -0.589 -9.171 1.00 44.03 N ATOM 229 CA GLU A 15 8.906 -1.612 -9.317 1.00 61.45 C ATOM 230 C GLU A 15 8.314 -3.032 -9.361 1.00 62.24 C ATOM 231 O GLU A 15 8.284 -3.667 -10.414 1.00 14.44 O ATOM 232 CB GLU A 15 9.922 -1.494 -8.167 1.00 64.22 C ATOM 233 CG GLU A 15 11.076 -2.487 -8.253 1.00 43.53 C ATOM 234 CD GLU A 15 12.036 -2.379 -7.076 1.00 71.34 C ATOM 235 OE1 GLU A 15 13.003 -1.599 -7.160 1.00 51.51 O ATOM 236 OE2 GLU A 15 11.831 -3.086 -6.068 1.00 73.02 O ATOM 0 H GLU A 15 7.902 -0.079 -8.289 1.00 44.03 H new ATOM 0 HA GLU A 15 9.411 -1.438 -10.267 1.00 61.45 H new ATOM 0 HB2 GLU A 15 10.327 -0.482 -8.157 1.00 64.22 H new ATOM 0 HB3 GLU A 15 9.402 -1.639 -7.220 1.00 64.22 H new ATOM 0 HG2 GLU A 15 10.675 -3.500 -8.298 1.00 43.53 H new ATOM 0 HG3 GLU A 15 11.625 -2.320 -9.180 1.00 43.53 H new ATOM 243 N GLN A 16 7.844 -3.527 -8.214 1.00 42.04 N ATOM 244 CA GLN A 16 7.241 -4.866 -8.132 1.00 15.34 C ATOM 245 C GLN A 16 5.809 -4.801 -7.583 1.00 65.23 C ATOM 246 O GLN A 16 4.839 -4.930 -8.336 1.00 62.32 O ATOM 247 CB GLN A 16 8.097 -5.792 -7.251 1.00 42.24 C ATOM 248 CG GLN A 16 9.479 -6.094 -7.822 1.00 31.53 C ATOM 249 CD GLN A 16 10.278 -7.054 -6.953 1.00 74.33 C ATOM 250 OE1 GLN A 16 9.719 -7.895 -6.257 1.00 22.35 O ATOM 251 NE2 GLN A 16 11.590 -6.944 -6.989 1.00 24.41 N ATOM 0 H GLN A 16 7.868 -3.023 -7.327 1.00 42.04 H new ATOM 0 HA GLN A 16 7.202 -5.271 -9.143 1.00 15.34 H new ATOM 0 HB2 GLN A 16 8.214 -5.335 -6.268 1.00 42.24 H new ATOM 0 HB3 GLN A 16 7.563 -6.731 -7.104 1.00 42.24 H new ATOM 0 HG2 GLN A 16 9.370 -6.519 -8.820 1.00 31.53 H new ATOM 0 HG3 GLN A 16 10.034 -5.162 -7.931 1.00 31.53 H new ATOM 0 HE21 GLN A 16 12.026 -6.235 -7.578 1.00 24.41 H new ATOM 0 HE22 GLN A 16 12.170 -7.568 -6.428 1.00 24.41 H new ATOM 260 N TRP A 17 5.690 -4.605 -6.266 1.00 23.44 N ATOM 261 CA TRP A 17 4.385 -4.522 -5.590 1.00 61.41 C ATOM 262 C TRP A 17 3.550 -5.801 -5.804 1.00 31.42 C ATOM 263 O TRP A 17 2.791 -5.906 -6.766 1.00 12.24 O ATOM 264 CB TRP A 17 3.602 -3.284 -6.065 1.00 64.12 C ATOM 265 CG TRP A 17 4.279 -1.980 -5.738 1.00 53.15 C ATOM 266 CD1 TRP A 17 5.279 -1.368 -6.443 1.00 34.45 C ATOM 267 CD2 TRP A 17 3.998 -1.123 -4.624 1.00 15.44 C ATOM 268 NE1 TRP A 17 5.635 -0.189 -5.834 1.00 50.12 N ATOM 269 CE2 TRP A 17 4.865 -0.017 -4.717 1.00 62.21 C ATOM 270 CE3 TRP A 17 3.099 -1.186 -3.555 1.00 63.30 C ATOM 271 CZ2 TRP A 17 4.856 1.017 -3.786 1.00 11.25 C ATOM 272 CZ3 TRP A 17 3.092 -0.158 -2.629 1.00 75.32 C ATOM 273 CH2 TRP A 17 3.964 0.930 -2.751 1.00 13.42 C ATOM 0 H TRP A 17 6.488 -4.500 -5.639 1.00 23.44 H new ATOM 0 HA TRP A 17 4.578 -4.426 -4.521 1.00 61.41 H new ATOM 0 HB2 TRP A 17 3.457 -3.348 -7.143 1.00 64.12 H new ATOM 0 HB3 TRP A 17 2.612 -3.294 -5.609 1.00 64.12 H new ATOM 0 HD1 TRP A 17 5.724 -1.756 -7.347 1.00 34.45 H new ATOM 0 HE1 TRP A 17 6.356 0.453 -6.162 1.00 50.12 H new ATOM 0 HE3 TRP A 17 2.422 -2.022 -3.454 1.00 63.30 H new ATOM 0 HZ2 TRP A 17 5.528 1.858 -3.877 1.00 11.25 H new ATOM 0 HZ3 TRP A 17 2.403 -0.196 -1.799 1.00 75.32 H new ATOM 0 HH2 TRP A 17 3.933 1.718 -2.013 1.00 13.42 H new ATOM 284 N SER A 18 3.701 -6.772 -4.902 1.00 33.20 N ATOM 285 CA SER A 18 2.974 -8.050 -5.003 1.00 35.12 C ATOM 286 C SER A 18 2.541 -8.572 -3.614 1.00 34.10 C ATOM 287 O SER A 18 2.395 -7.793 -2.671 1.00 3.33 O ATOM 288 CB SER A 18 3.839 -9.097 -5.726 1.00 44.22 C ATOM 289 OG SER A 18 5.020 -9.383 -4.999 1.00 64.35 O ATOM 0 H SER A 18 4.318 -6.703 -4.093 1.00 33.20 H new ATOM 0 HA SER A 18 2.069 -7.874 -5.584 1.00 35.12 H new ATOM 0 HB2 SER A 18 3.264 -10.013 -5.864 1.00 44.22 H new ATOM 0 HB3 SER A 18 4.101 -8.732 -6.719 1.00 44.22 H new ATOM 0 HG SER A 18 5.548 -10.052 -5.482 1.00 64.35 H new ATOM 295 N HIS A 19 2.340 -9.895 -3.510 1.00 34.12 N ATOM 296 CA HIS A 19 1.791 -10.545 -2.301 1.00 13.44 C ATOM 297 C HIS A 19 2.416 -10.038 -0.982 1.00 54.41 C ATOM 298 O HIS A 19 1.696 -9.701 -0.040 1.00 5.30 O ATOM 299 CB HIS A 19 1.972 -12.066 -2.418 1.00 15.30 C ATOM 300 CG HIS A 19 1.395 -12.854 -1.273 1.00 24.43 C ATOM 301 ND1 HIS A 19 2.163 -13.600 -0.406 1.00 24.14 N ATOM 302 CD2 HIS A 19 0.113 -13.033 -0.872 1.00 32.32 C ATOM 303 CE1 HIS A 19 1.385 -14.202 0.469 1.00 4.24 C ATOM 304 NE2 HIS A 19 0.135 -13.878 0.213 1.00 24.20 N ATOM 0 H HIS A 19 2.553 -10.550 -4.263 1.00 34.12 H new ATOM 0 HA HIS A 19 0.734 -10.282 -2.253 1.00 13.44 H new ATOM 0 HB2 HIS A 19 1.508 -12.404 -3.345 1.00 15.30 H new ATOM 0 HB3 HIS A 19 3.036 -12.287 -2.495 1.00 15.30 H new ATOM 0 HD2 HIS A 19 -0.765 -12.593 -1.322 1.00 32.32 H new ATOM 0 HE1 HIS A 19 1.717 -14.853 1.264 1.00 4.24 H new ATOM 0 HE2 HIS A 19 -0.681 -14.200 0.733 1.00 24.20 H new ATOM 313 N THR A 20 3.743 -10.003 -0.908 1.00 31.44 N ATOM 314 CA THR A 20 4.440 -9.555 0.311 1.00 43.52 C ATOM 315 C THR A 20 4.670 -8.036 0.313 1.00 33.30 C ATOM 316 O THR A 20 4.332 -7.352 1.280 1.00 41.33 O ATOM 317 CB THR A 20 5.806 -10.266 0.486 1.00 64.40 C ATOM 318 OG1 THR A 20 5.616 -11.681 0.598 1.00 12.20 O ATOM 319 CG2 THR A 20 6.545 -9.762 1.723 1.00 13.13 C ATOM 0 H THR A 20 4.363 -10.277 -1.670 1.00 31.44 H new ATOM 0 HA THR A 20 3.788 -9.819 1.144 1.00 43.52 H new ATOM 0 HB THR A 20 6.408 -10.040 -0.394 1.00 64.40 H new ATOM 0 HG1 THR A 20 6.485 -12.120 0.706 1.00 12.20 H new ATOM 0 HG21 THR A 20 7.498 -10.282 1.814 1.00 13.13 H new ATOM 0 HG22 THR A 20 6.724 -8.691 1.629 1.00 13.13 H new ATOM 0 HG23 THR A 20 5.941 -9.953 2.610 1.00 13.13 H new ATOM 327 N THR A 21 5.235 -7.519 -0.783 1.00 10.13 N ATOM 328 CA THR A 21 5.597 -6.092 -0.897 1.00 42.55 C ATOM 329 C THR A 21 4.480 -5.161 -0.399 1.00 41.34 C ATOM 330 O THR A 21 4.720 -4.249 0.392 1.00 73.12 O ATOM 331 CB THR A 21 5.923 -5.705 -2.362 1.00 43.52 C ATOM 332 OG1 THR A 21 6.796 -6.675 -2.961 1.00 1.24 O ATOM 333 CG2 THR A 21 6.570 -4.322 -2.440 1.00 50.20 C ATOM 0 H THR A 21 5.455 -8.069 -1.614 1.00 10.13 H new ATOM 0 HA THR A 21 6.478 -5.964 -0.268 1.00 42.55 H new ATOM 0 HB THR A 21 4.981 -5.681 -2.910 1.00 43.52 H new ATOM 0 HG1 THR A 21 6.989 -6.414 -3.886 1.00 1.24 H new ATOM 0 HG21 THR A 21 6.786 -4.080 -3.480 1.00 50.20 H new ATOM 0 HG22 THR A 21 5.888 -3.578 -2.028 1.00 50.20 H new ATOM 0 HG23 THR A 21 7.497 -4.321 -1.867 1.00 50.20 H new ATOM 341 N VAL A 22 3.256 -5.403 -0.864 1.00 61.54 N ATOM 342 CA VAL A 22 2.115 -4.548 -0.522 1.00 2.43 C ATOM 343 C VAL A 22 1.661 -4.754 0.933 1.00 1.23 C ATOM 344 O VAL A 22 1.286 -3.797 1.616 1.00 10.12 O ATOM 345 CB VAL A 22 0.923 -4.799 -1.480 1.00 30.53 C ATOM 346 CG1 VAL A 22 -0.257 -3.891 -1.138 1.00 3.04 C ATOM 347 CG2 VAL A 22 1.357 -4.598 -2.930 1.00 51.33 C ATOM 0 H VAL A 22 3.026 -6.184 -1.479 1.00 61.54 H new ATOM 0 HA VAL A 22 2.451 -3.517 -0.633 1.00 2.43 H new ATOM 0 HB VAL A 22 0.596 -5.831 -1.355 1.00 30.53 H new ATOM 0 HG11 VAL A 22 -1.079 -4.088 -1.826 1.00 3.04 H new ATOM 0 HG12 VAL A 22 -0.583 -4.087 -0.117 1.00 3.04 H new ATOM 0 HG13 VAL A 22 0.048 -2.848 -1.227 1.00 3.04 H new ATOM 0 HG21 VAL A 22 0.510 -4.778 -3.592 1.00 51.33 H new ATOM 0 HG22 VAL A 22 1.713 -3.577 -3.065 1.00 51.33 H new ATOM 0 HG23 VAL A 22 2.159 -5.296 -3.170 1.00 51.33 H new ATOM 357 N ARG A 23 1.718 -5.999 1.410 1.00 43.33 N ATOM 358 CA ARG A 23 1.264 -6.326 2.767 1.00 44.40 C ATOM 359 C ARG A 23 2.120 -5.615 3.827 1.00 22.12 C ATOM 360 O ARG A 23 1.595 -5.068 4.796 1.00 13.41 O ATOM 361 CB ARG A 23 1.285 -7.847 2.991 1.00 55.14 C ATOM 362 CG ARG A 23 0.559 -8.285 4.263 1.00 2.31 C ATOM 363 CD ARG A 23 0.449 -9.806 4.375 1.00 1.41 C ATOM 364 NE ARG A 23 1.714 -10.447 4.745 1.00 21.55 N ATOM 365 CZ ARG A 23 2.405 -11.234 3.962 1.00 65.31 C ATOM 366 NH1 ARG A 23 2.058 -11.413 2.726 1.00 1.14 N ATOM 367 NH2 ARG A 23 3.451 -11.843 4.417 1.00 33.43 N ATOM 0 H ARG A 23 2.072 -6.796 0.881 1.00 43.33 H new ATOM 0 HA ARG A 23 0.238 -5.972 2.871 1.00 44.40 H new ATOM 0 HB2 ARG A 23 0.827 -8.339 2.133 1.00 55.14 H new ATOM 0 HB3 ARG A 23 2.320 -8.185 3.038 1.00 55.14 H new ATOM 0 HG2 ARG A 23 1.089 -7.896 5.133 1.00 2.31 H new ATOM 0 HG3 ARG A 23 -0.440 -7.849 4.277 1.00 2.31 H new ATOM 0 HD2 ARG A 23 -0.309 -10.056 5.117 1.00 1.41 H new ATOM 0 HD3 ARG A 23 0.108 -10.211 3.422 1.00 1.41 H new ATOM 0 HE ARG A 23 2.081 -10.266 5.679 1.00 21.55 H new ATOM 0 HH11 ARG A 23 1.237 -10.937 2.353 1.00 1.14 H new ATOM 0 HH12 ARG A 23 2.606 -12.030 2.127 1.00 1.14 H new ATOM 0 HH21 ARG A 23 3.737 -11.710 5.387 1.00 33.43 H new ATOM 0 HH22 ARG A 23 3.990 -12.457 3.806 1.00 33.43 H new ATOM 381 N ASN A 24 3.439 -5.623 3.633 1.00 32.22 N ATOM 382 CA ASN A 24 4.361 -4.918 4.536 1.00 0.42 C ATOM 383 C ASN A 24 4.288 -3.394 4.339 1.00 61.22 C ATOM 384 O ASN A 24 4.424 -2.627 5.292 1.00 42.05 O ATOM 385 CB ASN A 24 5.798 -5.405 4.314 1.00 60.01 C ATOM 386 CG ASN A 24 5.986 -6.854 4.730 1.00 64.13 C ATOM 387 OD1 ASN A 24 5.772 -7.772 3.950 1.00 11.32 O ATOM 388 ND2 ASN A 24 6.388 -7.073 5.965 1.00 61.25 N ATOM 0 H ASN A 24 3.896 -6.108 2.861 1.00 32.22 H new ATOM 0 HA ASN A 24 4.058 -5.141 5.559 1.00 0.42 H new ATOM 0 HB2 ASN A 24 6.058 -5.295 3.261 1.00 60.01 H new ATOM 0 HB3 ASN A 24 6.484 -4.775 4.880 1.00 60.01 H new ATOM 0 HD21 ASN A 24 6.529 -8.028 6.294 1.00 61.25 H new ATOM 0 HD22 ASN A 24 6.558 -6.287 6.593 1.00 61.25 H new ATOM 395 N ALA A 25 4.068 -2.966 3.098 1.00 3.44 N ATOM 396 CA ALA A 25 3.980 -1.538 2.774 1.00 61.44 C ATOM 397 C ALA A 25 2.793 -0.857 3.473 1.00 11.23 C ATOM 398 O ALA A 25 2.975 0.058 4.279 1.00 50.52 O ATOM 399 CB ALA A 25 3.876 -1.348 1.266 1.00 12.31 C ATOM 0 H ALA A 25 3.947 -3.586 2.297 1.00 3.44 H new ATOM 0 HA ALA A 25 4.891 -1.065 3.140 1.00 61.44 H new ATOM 0 HB1 ALA A 25 3.811 -0.284 1.037 1.00 12.31 H new ATOM 0 HB2 ALA A 25 4.758 -1.770 0.784 1.00 12.31 H new ATOM 0 HB3 ALA A 25 2.984 -1.854 0.896 1.00 12.31 H new ATOM 405 N LEU A 26 1.579 -1.312 3.167 1.00 71.31 N ATOM 406 CA LEU A 26 0.363 -0.708 3.724 1.00 55.33 C ATOM 407 C LEU A 26 0.219 -0.974 5.231 1.00 72.31 C ATOM 408 O LEU A 26 -0.507 -0.262 5.921 1.00 31.13 O ATOM 409 CB LEU A 26 -0.879 -1.222 2.982 1.00 34.51 C ATOM 410 CG LEU A 26 -0.943 -0.874 1.484 1.00 74.21 C ATOM 411 CD1 LEU A 26 -2.227 -1.411 0.860 1.00 33.32 C ATOM 412 CD2 LEU A 26 -0.828 0.638 1.273 1.00 24.14 C ATOM 0 H LEU A 26 1.408 -2.096 2.537 1.00 71.31 H new ATOM 0 HA LEU A 26 0.450 0.370 3.586 1.00 55.33 H new ATOM 0 HB2 LEU A 26 -0.922 -2.306 3.088 1.00 34.51 H new ATOM 0 HB3 LEU A 26 -1.766 -0.818 3.470 1.00 34.51 H new ATOM 0 HG LEU A 26 -0.098 -1.351 0.987 1.00 74.21 H new ATOM 0 HD11 LEU A 26 -2.252 -1.154 -0.199 1.00 33.32 H new ATOM 0 HD12 LEU A 26 -2.260 -2.495 0.971 1.00 33.32 H new ATOM 0 HD13 LEU A 26 -3.088 -0.968 1.361 1.00 33.32 H new ATOM 0 HD21 LEU A 26 -0.876 0.861 0.207 1.00 24.14 H new ATOM 0 HD22 LEU A 26 -1.648 1.140 1.786 1.00 24.14 H new ATOM 0 HD23 LEU A 26 0.122 0.990 1.675 1.00 24.14 H new ATOM 424 N LYS A 27 0.908 -1.999 5.735 1.00 42.21 N ATOM 425 CA LYS A 27 0.849 -2.352 7.162 1.00 32.31 C ATOM 426 C LYS A 27 1.163 -1.149 8.069 1.00 63.21 C ATOM 427 O LYS A 27 0.391 -0.816 8.973 1.00 15.03 O ATOM 428 CB LYS A 27 1.831 -3.494 7.463 1.00 42.13 C ATOM 429 CG LYS A 27 1.842 -3.938 8.927 1.00 61.32 C ATOM 430 CD LYS A 27 0.492 -4.507 9.357 1.00 52.34 C ATOM 431 CE LYS A 27 0.477 -4.868 10.838 1.00 23.12 C ATOM 432 NZ LYS A 27 -0.822 -5.462 11.251 1.00 3.34 N ATOM 0 H LYS A 27 1.515 -2.602 5.179 1.00 42.21 H new ATOM 0 HA LYS A 27 -0.171 -2.673 7.375 1.00 32.31 H new ATOM 0 HB2 LYS A 27 1.579 -4.350 6.837 1.00 42.13 H new ATOM 0 HB3 LYS A 27 2.836 -3.178 7.183 1.00 42.13 H new ATOM 0 HG2 LYS A 27 2.617 -4.691 9.073 1.00 61.32 H new ATOM 0 HG3 LYS A 27 2.098 -3.090 9.562 1.00 61.32 H new ATOM 0 HD2 LYS A 27 -0.292 -3.778 9.152 1.00 52.34 H new ATOM 0 HD3 LYS A 27 0.265 -5.393 8.764 1.00 52.34 H new ATOM 0 HE2 LYS A 27 1.282 -5.573 11.048 1.00 23.12 H new ATOM 0 HE3 LYS A 27 0.673 -3.975 11.431 1.00 23.12 H new ATOM 0 HZ1 LYS A 27 -0.791 -5.693 12.264 1.00 3.34 H new ATOM 0 HZ2 LYS A 27 -1.587 -4.780 11.075 1.00 3.34 H new ATOM 0 HZ3 LYS A 27 -0.997 -6.328 10.703 1.00 3.34 H new ATOM 446 N ASP A 28 2.292 -0.497 7.812 1.00 5.11 N ATOM 447 CA ASP A 28 2.757 0.622 8.642 1.00 13.24 C ATOM 448 C ASP A 28 1.754 1.796 8.655 1.00 1.30 C ATOM 449 O ASP A 28 1.603 2.488 9.667 1.00 52.43 O ATOM 450 CB ASP A 28 4.128 1.096 8.145 1.00 54.31 C ATOM 451 CG ASP A 28 4.674 2.244 8.973 1.00 73.54 C ATOM 452 OD1 ASP A 28 4.887 2.056 10.189 1.00 53.52 O ATOM 453 OD2 ASP A 28 4.861 3.349 8.426 1.00 4.05 O ATOM 0 H ASP A 28 2.909 -0.722 7.032 1.00 5.11 H new ATOM 0 HA ASP A 28 2.841 0.264 9.668 1.00 13.24 H new ATOM 0 HB2 ASP A 28 4.831 0.263 8.174 1.00 54.31 H new ATOM 0 HB3 ASP A 28 4.047 1.408 7.104 1.00 54.31 H new ATOM 458 N LEU A 29 1.075 2.014 7.532 1.00 60.01 N ATOM 459 CA LEU A 29 0.083 3.091 7.419 1.00 22.32 C ATOM 460 C LEU A 29 -1.267 2.670 8.024 1.00 31.21 C ATOM 461 O LEU A 29 -1.922 3.451 8.719 1.00 41.45 O ATOM 462 CB LEU A 29 -0.108 3.504 5.946 1.00 62.11 C ATOM 463 CG LEU A 29 1.104 4.173 5.262 1.00 34.45 C ATOM 464 CD1 LEU A 29 1.587 5.379 6.066 1.00 13.41 C ATOM 465 CD2 LEU A 29 2.242 3.175 5.037 1.00 71.45 C ATOM 0 H LEU A 29 1.191 1.460 6.683 1.00 60.01 H new ATOM 0 HA LEU A 29 0.460 3.946 7.980 1.00 22.32 H new ATOM 0 HB2 LEU A 29 -0.377 2.616 5.374 1.00 62.11 H new ATOM 0 HB3 LEU A 29 -0.954 4.189 5.889 1.00 62.11 H new ATOM 0 HG LEU A 29 0.777 4.525 4.284 1.00 34.45 H new ATOM 0 HD11 LEU A 29 2.441 5.833 5.564 1.00 13.41 H new ATOM 0 HD12 LEU A 29 0.782 6.110 6.145 1.00 13.41 H new ATOM 0 HD13 LEU A 29 1.883 5.056 7.064 1.00 13.41 H new ATOM 0 HD21 LEU A 29 3.078 3.680 4.554 1.00 71.45 H new ATOM 0 HD22 LEU A 29 2.567 2.771 5.996 1.00 71.45 H new ATOM 0 HD23 LEU A 29 1.892 2.362 4.401 1.00 71.45 H new ATOM 477 N LEU A 30 -1.667 1.422 7.764 1.00 32.24 N ATOM 478 CA LEU A 30 -2.945 0.885 8.251 1.00 73.34 C ATOM 479 C LEU A 30 -2.986 0.839 9.786 1.00 0.32 C ATOM 480 O LEU A 30 -4.055 0.882 10.393 1.00 1.02 O ATOM 481 CB LEU A 30 -3.179 -0.520 7.671 1.00 43.11 C ATOM 482 CG LEU A 30 -4.573 -1.113 7.931 1.00 74.23 C ATOM 483 CD1 LEU A 30 -5.656 -0.247 7.289 1.00 14.03 C ATOM 484 CD2 LEU A 30 -4.651 -2.553 7.421 1.00 23.43 C ATOM 0 H LEU A 30 -1.121 0.759 7.215 1.00 32.24 H new ATOM 0 HA LEU A 30 -3.741 1.551 7.916 1.00 73.34 H new ATOM 0 HB2 LEU A 30 -3.013 -0.483 6.594 1.00 43.11 H new ATOM 0 HB3 LEU A 30 -2.431 -1.196 8.086 1.00 43.11 H new ATOM 0 HG LEU A 30 -4.745 -1.126 9.007 1.00 74.23 H new ATOM 0 HD11 LEU A 30 -6.635 -0.684 7.485 1.00 14.03 H new ATOM 0 HD12 LEU A 30 -5.616 0.757 7.711 1.00 14.03 H new ATOM 0 HD13 LEU A 30 -5.490 -0.196 6.213 1.00 14.03 H new ATOM 0 HD21 LEU A 30 -5.646 -2.954 7.615 1.00 23.43 H new ATOM 0 HD22 LEU A 30 -4.455 -2.570 6.349 1.00 23.43 H new ATOM 0 HD23 LEU A 30 -3.908 -3.162 7.935 1.00 23.43 H new ATOM 496 N LYS A 31 -1.812 0.745 10.407 1.00 1.21 N ATOM 497 CA LYS A 31 -1.698 0.835 11.867 1.00 52.11 C ATOM 498 C LYS A 31 -2.277 2.158 12.394 1.00 72.52 C ATOM 499 O LYS A 31 -2.822 2.219 13.499 1.00 14.43 O ATOM 500 CB LYS A 31 -0.225 0.724 12.293 1.00 35.31 C ATOM 501 CG LYS A 31 0.371 -0.673 12.137 1.00 43.01 C ATOM 502 CD LYS A 31 1.879 -0.682 12.407 1.00 10.32 C ATOM 503 CE LYS A 31 2.234 -0.069 13.763 1.00 1.35 C ATOM 504 NZ LYS A 31 1.609 -0.805 14.895 1.00 11.44 N ATOM 0 H LYS A 31 -0.924 0.606 9.925 1.00 1.21 H new ATOM 0 HA LYS A 31 -2.270 0.010 12.293 1.00 52.11 H new ATOM 0 HB2 LYS A 31 0.365 1.426 11.704 1.00 35.31 H new ATOM 0 HB3 LYS A 31 -0.136 1.030 13.336 1.00 35.31 H new ATOM 0 HG2 LYS A 31 -0.125 -1.359 12.824 1.00 43.01 H new ATOM 0 HG3 LYS A 31 0.180 -1.039 11.128 1.00 43.01 H new ATOM 0 HD2 LYS A 31 2.246 -1.708 12.368 1.00 10.32 H new ATOM 0 HD3 LYS A 31 2.390 -0.131 11.618 1.00 10.32 H new ATOM 0 HE2 LYS A 31 3.317 -0.068 13.887 1.00 1.35 H new ATOM 0 HE3 LYS A 31 1.910 0.971 13.785 1.00 1.35 H new ATOM 0 HZ1 LYS A 31 1.891 -0.364 15.794 1.00 11.44 H new ATOM 0 HZ2 LYS A 31 0.574 -0.770 14.802 1.00 11.44 H new ATOM 0 HZ3 LYS A 31 1.925 -1.796 14.881 1.00 11.44 H new ATOM 518 N ASP A 32 -2.149 3.214 11.597 1.00 64.51 N ATOM 519 CA ASP A 32 -2.551 4.557 12.016 1.00 54.31 C ATOM 520 C ASP A 32 -3.940 4.940 11.464 1.00 30.43 C ATOM 521 O ASP A 32 -4.753 5.544 12.171 1.00 14.52 O ATOM 522 CB ASP A 32 -1.495 5.566 11.546 1.00 75.53 C ATOM 523 CG ASP A 32 -1.388 6.771 12.463 1.00 13.12 C ATOM 524 OD1 ASP A 32 -2.177 7.725 12.307 1.00 12.10 O ATOM 525 OD2 ASP A 32 -0.497 6.774 13.342 1.00 31.35 O ATOM 0 H ASP A 32 -1.768 3.167 10.652 1.00 64.51 H new ATOM 0 HA ASP A 32 -2.623 4.571 13.104 1.00 54.31 H new ATOM 0 HB2 ASP A 32 -0.526 5.071 11.488 1.00 75.53 H new ATOM 0 HB3 ASP A 32 -1.742 5.902 10.539 1.00 75.53 H new ATOM 530 N MET A 33 -4.205 4.594 10.200 1.00 64.51 N ATOM 531 CA MET A 33 -5.485 4.933 9.549 1.00 12.24 C ATOM 532 C MET A 33 -6.475 3.754 9.578 1.00 74.50 C ATOM 533 O MET A 33 -6.076 2.589 9.585 1.00 12.21 O ATOM 534 CB MET A 33 -5.246 5.386 8.101 1.00 35.50 C ATOM 535 CG MET A 33 -4.661 4.308 7.195 1.00 11.43 C ATOM 536 SD MET A 33 -4.385 4.890 5.508 1.00 51.23 S ATOM 537 CE MET A 33 -6.045 5.368 5.023 1.00 44.51 C ATOM 0 H MET A 33 -3.555 4.081 9.605 1.00 64.51 H new ATOM 0 HA MET A 33 -5.930 5.752 10.114 1.00 12.24 H new ATOM 0 HB2 MET A 33 -6.191 5.726 7.678 1.00 35.50 H new ATOM 0 HB3 MET A 33 -4.573 6.243 8.107 1.00 35.50 H new ATOM 0 HG2 MET A 33 -3.717 3.960 7.614 1.00 11.43 H new ATOM 0 HG3 MET A 33 -5.335 3.452 7.174 1.00 11.43 H new ATOM 0 HE1 MET A 33 -6.110 5.406 3.936 1.00 44.51 H new ATOM 0 HE2 MET A 33 -6.760 4.638 5.404 1.00 44.51 H new ATOM 0 HE3 MET A 33 -6.276 6.351 5.435 1.00 44.51 H new ATOM 547 N ASN A 34 -7.770 4.070 9.585 1.00 24.42 N ATOM 548 CA ASN A 34 -8.825 3.052 9.655 1.00 31.43 C ATOM 549 C ASN A 34 -8.906 2.212 8.369 1.00 24.32 C ATOM 550 O ASN A 34 -8.699 2.720 7.263 1.00 0.14 O ATOM 551 CB ASN A 34 -10.184 3.714 9.914 1.00 71.31 C ATOM 552 CG ASN A 34 -10.212 4.539 11.190 1.00 15.42 C ATOM 553 OD1 ASN A 34 -9.213 5.128 11.591 1.00 10.44 O ATOM 554 ND2 ASN A 34 -11.358 4.586 11.835 1.00 4.43 N ATOM 0 H ASN A 34 -8.118 5.028 9.543 1.00 24.42 H new ATOM 0 HA ASN A 34 -8.572 2.385 10.479 1.00 31.43 H new ATOM 0 HB2 ASN A 34 -10.436 4.354 9.069 1.00 71.31 H new ATOM 0 HB3 ASN A 34 -10.952 2.943 9.970 1.00 71.31 H new ATOM 0 HD21 ASN A 34 -11.436 5.125 12.698 1.00 4.43 H new ATOM 0 HD22 ASN A 34 -12.168 4.084 11.472 1.00 4.43 H new ATOM 561 N GLN A 35 -9.243 0.931 8.521 1.00 23.41 N ATOM 562 CA GLN A 35 -9.395 0.026 7.375 1.00 11.20 C ATOM 563 C GLN A 35 -10.509 0.508 6.435 1.00 53.41 C ATOM 564 O GLN A 35 -10.347 0.508 5.215 1.00 63.32 O ATOM 565 CB GLN A 35 -9.695 -1.404 7.850 1.00 43.12 C ATOM 566 CG GLN A 35 -8.635 -1.977 8.784 1.00 53.42 C ATOM 567 CD GLN A 35 -8.900 -3.423 9.178 1.00 71.25 C ATOM 568 OE1 GLN A 35 -9.491 -4.189 8.280 1.00 41.31 O flip ATOM 569 NE2 GLN A 35 -8.557 -3.854 10.274 1.00 72.03 N flip ATOM 0 H GLN A 35 -9.417 0.494 9.426 1.00 23.41 H new ATOM 0 HA GLN A 35 -8.454 0.026 6.825 1.00 11.20 H new ATOM 0 HB2 GLN A 35 -10.658 -1.413 8.360 1.00 43.12 H new ATOM 0 HB3 GLN A 35 -9.789 -2.054 6.980 1.00 43.12 H new ATOM 0 HG2 GLN A 35 -7.660 -1.912 8.300 1.00 53.42 H new ATOM 0 HG3 GLN A 35 -8.585 -1.365 9.685 1.00 53.42 H new ATOM 0 HE21 GLN A 35 -8.102 -3.236 10.946 1.00 72.03 H new ATOM 0 HE22 GLN A 35 -8.726 -4.831 10.514 1.00 72.03 H new ATOM 578 N SER A 36 -11.636 0.926 7.014 1.00 12.22 N ATOM 579 CA SER A 36 -12.750 1.488 6.232 1.00 31.21 C ATOM 580 C SER A 36 -12.305 2.728 5.440 1.00 0.31 C ATOM 581 O SER A 36 -12.755 2.956 4.317 1.00 32.35 O ATOM 582 CB SER A 36 -13.925 1.853 7.148 1.00 1.22 C ATOM 583 OG SER A 36 -15.006 2.408 6.414 1.00 24.30 O ATOM 0 H SER A 36 -11.806 0.888 8.019 1.00 12.22 H new ATOM 0 HA SER A 36 -13.073 0.724 5.525 1.00 31.21 H new ATOM 0 HB2 SER A 36 -14.264 0.963 7.679 1.00 1.22 H new ATOM 0 HB3 SER A 36 -13.592 2.566 7.902 1.00 1.22 H new ATOM 0 HG SER A 36 -15.439 3.107 6.947 1.00 24.30 H new ATOM 589 N SER A 37 -11.414 3.527 6.034 1.00 1.34 N ATOM 590 CA SER A 37 -10.857 4.709 5.357 1.00 42.44 C ATOM 591 C SER A 37 -10.031 4.305 4.131 1.00 44.10 C ATOM 592 O SER A 37 -10.188 4.875 3.048 1.00 24.35 O ATOM 593 CB SER A 37 -9.982 5.524 6.319 1.00 34.54 C ATOM 594 OG SER A 37 -9.361 6.612 5.654 1.00 20.23 O ATOM 0 H SER A 37 -11.062 3.380 6.980 1.00 1.34 H new ATOM 0 HA SER A 37 -11.695 5.323 5.028 1.00 42.44 H new ATOM 0 HB2 SER A 37 -10.592 5.898 7.141 1.00 34.54 H new ATOM 0 HB3 SER A 37 -9.220 4.879 6.756 1.00 34.54 H new ATOM 0 HG SER A 37 -8.811 7.114 6.291 1.00 20.23 H new ATOM 600 N LEU A 38 -9.163 3.307 4.306 1.00 52.35 N ATOM 601 CA LEU A 38 -8.338 2.791 3.204 1.00 11.22 C ATOM 602 C LEU A 38 -9.214 2.166 2.103 1.00 55.31 C ATOM 603 O LEU A 38 -8.930 2.306 0.912 1.00 54.21 O ATOM 604 CB LEU A 38 -7.330 1.758 3.738 1.00 14.35 C ATOM 605 CG LEU A 38 -6.311 1.229 2.710 1.00 21.34 C ATOM 606 CD1 LEU A 38 -5.463 2.369 2.148 1.00 41.51 C ATOM 607 CD2 LEU A 38 -5.423 0.153 3.335 1.00 65.23 C ATOM 0 H LEU A 38 -9.011 2.838 5.199 1.00 52.35 H new ATOM 0 HA LEU A 38 -7.792 3.626 2.765 1.00 11.22 H new ATOM 0 HB2 LEU A 38 -6.783 2.206 4.568 1.00 14.35 H new ATOM 0 HB3 LEU A 38 -7.885 0.911 4.142 1.00 14.35 H new ATOM 0 HG LEU A 38 -6.864 0.780 1.885 1.00 21.34 H new ATOM 0 HD11 LEU A 38 -4.751 1.971 1.425 1.00 41.51 H new ATOM 0 HD12 LEU A 38 -6.110 3.096 1.658 1.00 41.51 H new ATOM 0 HD13 LEU A 38 -4.922 2.854 2.960 1.00 41.51 H new ATOM 0 HD21 LEU A 38 -4.711 -0.207 2.593 1.00 65.23 H new ATOM 0 HD22 LEU A 38 -4.882 0.575 4.182 1.00 65.23 H new ATOM 0 HD23 LEU A 38 -6.042 -0.677 3.676 1.00 65.23 H new ATOM 619 N ALA A 39 -10.294 1.495 2.512 1.00 15.33 N ATOM 620 CA ALA A 39 -11.253 0.900 1.569 1.00 23.01 C ATOM 621 C ALA A 39 -11.972 1.973 0.730 1.00 25.05 C ATOM 622 O ALA A 39 -12.504 1.687 -0.346 1.00 20.32 O ATOM 623 CB ALA A 39 -12.272 0.051 2.321 1.00 61.54 C ATOM 0 H ALA A 39 -10.529 1.348 3.494 1.00 15.33 H new ATOM 0 HA ALA A 39 -10.691 0.267 0.883 1.00 23.01 H new ATOM 0 HB1 ALA A 39 -12.977 -0.384 1.612 1.00 61.54 H new ATOM 0 HB2 ALA A 39 -11.757 -0.746 2.857 1.00 61.54 H new ATOM 0 HB3 ALA A 39 -12.812 0.676 3.032 1.00 61.54 H new ATOM 629 N LYS A 40 -12.005 3.201 1.242 1.00 14.11 N ATOM 630 CA LYS A 40 -12.594 4.334 0.517 1.00 61.20 C ATOM 631 C LYS A 40 -11.528 5.104 -0.284 1.00 5.34 C ATOM 632 O LYS A 40 -11.821 6.121 -0.920 1.00 21.35 O ATOM 633 CB LYS A 40 -13.309 5.265 1.506 1.00 45.04 C ATOM 634 CG LYS A 40 -14.527 4.624 2.165 1.00 11.15 C ATOM 635 CD LYS A 40 -15.136 5.516 3.241 1.00 3.41 C ATOM 636 CE LYS A 40 -16.399 4.898 3.831 1.00 21.42 C ATOM 637 NZ LYS A 40 -16.149 3.542 4.392 1.00 3.04 N ATOM 0 H LYS A 40 -11.630 3.442 2.160 1.00 14.11 H new ATOM 0 HA LYS A 40 -13.320 3.946 -0.198 1.00 61.20 H new ATOM 0 HB2 LYS A 40 -12.605 5.571 2.280 1.00 45.04 H new ATOM 0 HB3 LYS A 40 -13.621 6.169 0.983 1.00 45.04 H new ATOM 0 HG2 LYS A 40 -15.278 4.410 1.405 1.00 11.15 H new ATOM 0 HG3 LYS A 40 -14.239 3.670 2.607 1.00 11.15 H new ATOM 0 HD2 LYS A 40 -14.406 5.682 4.034 1.00 3.41 H new ATOM 0 HD3 LYS A 40 -15.372 6.492 2.816 1.00 3.41 H new ATOM 0 HE2 LYS A 40 -16.788 5.548 4.615 1.00 21.42 H new ATOM 0 HE3 LYS A 40 -17.166 4.835 3.059 1.00 21.42 H new ATOM 0 HZ1 LYS A 40 -17.049 3.125 4.705 1.00 3.04 H new ATOM 0 HZ2 LYS A 40 -15.723 2.937 3.661 1.00 3.04 H new ATOM 0 HZ3 LYS A 40 -15.501 3.615 5.202 1.00 3.04 H new ATOM 651 N GLU A 41 -10.295 4.607 -0.244 1.00 63.42 N ATOM 652 CA GLU A 41 -9.186 5.173 -1.019 1.00 64.32 C ATOM 653 C GLU A 41 -8.698 4.175 -2.080 1.00 25.43 C ATOM 654 O GLU A 41 -8.893 4.375 -3.278 1.00 4.25 O ATOM 655 CB GLU A 41 -8.018 5.543 -0.092 1.00 73.40 C ATOM 656 CG GLU A 41 -8.301 6.708 0.847 1.00 34.31 C ATOM 657 CD GLU A 41 -8.603 7.999 0.103 1.00 4.13 C ATOM 658 OE1 GLU A 41 -7.858 8.333 -0.846 1.00 72.12 O ATOM 659 OE2 GLU A 41 -9.589 8.682 0.462 1.00 32.12 O ATOM 0 H GLU A 41 -10.033 3.802 0.325 1.00 63.42 H new ATOM 0 HA GLU A 41 -9.550 6.071 -1.518 1.00 64.32 H new ATOM 0 HB2 GLU A 41 -7.753 4.669 0.503 1.00 73.40 H new ATOM 0 HB3 GLU A 41 -7.149 5.788 -0.703 1.00 73.40 H new ATOM 0 HG2 GLU A 41 -9.146 6.456 1.488 1.00 34.31 H new ATOM 0 HG3 GLU A 41 -7.441 6.861 1.499 1.00 34.31 H new ATOM 666 N CYS A 42 -8.072 3.096 -1.621 1.00 63.21 N ATOM 667 CA CYS A 42 -7.530 2.062 -2.510 1.00 11.45 C ATOM 668 C CYS A 42 -8.643 1.145 -3.042 1.00 23.21 C ATOM 669 O CYS A 42 -9.569 0.802 -2.307 1.00 24.31 O ATOM 670 CB CYS A 42 -6.484 1.217 -1.774 1.00 62.31 C ATOM 671 SG CYS A 42 -7.151 0.228 -0.417 1.00 75.12 S ATOM 0 H CYS A 42 -7.924 2.910 -0.629 1.00 63.21 H new ATOM 0 HA CYS A 42 -7.061 2.568 -3.354 1.00 11.45 H new ATOM 0 HB2 CYS A 42 -6.001 0.552 -2.490 1.00 62.31 H new ATOM 0 HB3 CYS A 42 -5.711 1.877 -1.381 1.00 62.31 H new ATOM 0 HG CYS A 42 -8.068 0.907 0.205 1.00 75.12 H new ATOM 677 N PRO A 43 -8.574 0.737 -4.331 1.00 71.10 N ATOM 678 CA PRO A 43 -9.587 -0.156 -4.951 1.00 23.24 C ATOM 679 C PRO A 43 -9.828 -1.482 -4.187 1.00 34.22 C ATOM 680 O PRO A 43 -10.688 -2.280 -4.571 1.00 33.15 O ATOM 681 CB PRO A 43 -8.999 -0.437 -6.343 1.00 33.10 C ATOM 682 CG PRO A 43 -8.112 0.729 -6.622 1.00 14.42 C ATOM 683 CD PRO A 43 -7.522 1.121 -5.293 1.00 44.24 C ATOM 0 HA PRO A 43 -10.569 0.317 -4.956 1.00 23.24 H new ATOM 0 HB2 PRO A 43 -8.439 -1.372 -6.355 1.00 33.10 H new ATOM 0 HB3 PRO A 43 -9.784 -0.526 -7.094 1.00 33.10 H new ATOM 0 HG2 PRO A 43 -7.331 0.465 -7.334 1.00 14.42 H new ATOM 0 HG3 PRO A 43 -8.675 1.554 -7.059 1.00 14.42 H new ATOM 0 HD2 PRO A 43 -6.587 0.597 -5.097 1.00 44.24 H new ATOM 0 HD3 PRO A 43 -7.305 2.188 -5.248 1.00 44.24 H new ATOM 691 N LEU A 44 -9.063 -1.720 -3.121 1.00 23.14 N ATOM 692 CA LEU A 44 -9.251 -2.902 -2.271 1.00 72.12 C ATOM 693 C LEU A 44 -10.265 -2.614 -1.148 1.00 64.41 C ATOM 694 O LEU A 44 -10.060 -1.721 -0.323 1.00 12.11 O ATOM 695 CB LEU A 44 -7.906 -3.339 -1.669 1.00 12.54 C ATOM 696 CG LEU A 44 -6.807 -3.688 -2.690 1.00 2.01 C ATOM 697 CD1 LEU A 44 -5.511 -4.077 -1.982 1.00 53.11 C ATOM 698 CD2 LEU A 44 -7.269 -4.808 -3.624 1.00 4.05 C ATOM 0 H LEU A 44 -8.303 -1.108 -2.823 1.00 23.14 H new ATOM 0 HA LEU A 44 -9.644 -3.709 -2.889 1.00 72.12 H new ATOM 0 HB2 LEU A 44 -7.539 -2.540 -1.025 1.00 12.54 H new ATOM 0 HB3 LEU A 44 -8.077 -4.208 -1.034 1.00 12.54 H new ATOM 0 HG LEU A 44 -6.612 -2.801 -3.292 1.00 2.01 H new ATOM 0 HD11 LEU A 44 -4.750 -4.319 -2.724 1.00 53.11 H new ATOM 0 HD12 LEU A 44 -5.168 -3.244 -1.368 1.00 53.11 H new ATOM 0 HD13 LEU A 44 -5.689 -4.946 -1.348 1.00 53.11 H new ATOM 0 HD21 LEU A 44 -6.477 -5.038 -4.336 1.00 4.05 H new ATOM 0 HD22 LEU A 44 -7.500 -5.698 -3.039 1.00 4.05 H new ATOM 0 HD23 LEU A 44 -8.160 -4.487 -4.163 1.00 4.05 H new ATOM 710 N SER A 45 -11.362 -3.370 -1.128 1.00 63.13 N ATOM 711 CA SER A 45 -12.419 -3.181 -0.120 1.00 24.04 C ATOM 712 C SER A 45 -11.986 -3.658 1.276 1.00 74.21 C ATOM 713 O SER A 45 -11.057 -4.457 1.413 1.00 52.23 O ATOM 714 CB SER A 45 -13.697 -3.916 -0.536 1.00 73.10 C ATOM 715 OG SER A 45 -14.734 -3.712 0.414 1.00 15.44 O ATOM 0 H SER A 45 -11.547 -4.119 -1.795 1.00 63.13 H new ATOM 0 HA SER A 45 -12.612 -2.110 -0.064 1.00 24.04 H new ATOM 0 HB2 SER A 45 -14.021 -3.563 -1.515 1.00 73.10 H new ATOM 0 HB3 SER A 45 -13.492 -4.982 -0.633 1.00 73.10 H new ATOM 0 HG SER A 45 -15.540 -4.189 0.126 1.00 15.44 H new ATOM 721 N GLN A 46 -12.699 -3.192 2.305 1.00 52.00 N ATOM 722 CA GLN A 46 -12.340 -3.463 3.706 1.00 64.23 C ATOM 723 C GLN A 46 -12.167 -4.968 3.979 1.00 23.43 C ATOM 724 O GLN A 46 -11.188 -5.389 4.600 1.00 32.40 O ATOM 725 CB GLN A 46 -13.414 -2.885 4.640 1.00 74.51 C ATOM 726 CG GLN A 46 -13.045 -2.943 6.121 1.00 32.41 C ATOM 727 CD GLN A 46 -14.152 -2.441 7.037 1.00 72.31 C ATOM 728 OE1 GLN A 46 -15.396 -2.683 6.673 1.00 13.05 O flip ATOM 729 NE2 GLN A 46 -13.888 -1.862 8.085 1.00 45.34 N flip ATOM 0 H GLN A 46 -13.536 -2.620 2.195 1.00 52.00 H new ATOM 0 HA GLN A 46 -11.381 -2.981 3.898 1.00 64.23 H new ATOM 0 HB2 GLN A 46 -13.602 -1.848 4.363 1.00 74.51 H new ATOM 0 HB3 GLN A 46 -14.346 -3.429 4.487 1.00 74.51 H new ATOM 0 HG2 GLN A 46 -12.801 -3.971 6.387 1.00 32.41 H new ATOM 0 HG3 GLN A 46 -12.147 -2.348 6.288 1.00 32.41 H new ATOM 0 HE21 GLN A 46 -12.916 -1.688 8.341 1.00 45.34 H new ATOM 0 HE22 GLN A 46 -14.640 -1.554 8.701 1.00 45.34 H new ATOM 738 N SER A 47 -13.124 -5.771 3.511 1.00 44.33 N ATOM 739 CA SER A 47 -13.065 -7.234 3.681 1.00 21.41 C ATOM 740 C SER A 47 -11.814 -7.823 3.014 1.00 2.12 C ATOM 741 O SER A 47 -11.191 -8.743 3.546 1.00 72.33 O ATOM 742 CB SER A 47 -14.325 -7.901 3.100 1.00 51.52 C ATOM 743 OG SER A 47 -15.504 -7.391 3.706 1.00 51.10 O ATOM 0 H SER A 47 -13.949 -5.440 3.012 1.00 44.33 H new ATOM 0 HA SER A 47 -13.015 -7.437 4.751 1.00 21.41 H new ATOM 0 HB2 SER A 47 -14.365 -7.733 2.024 1.00 51.52 H new ATOM 0 HB3 SER A 47 -14.272 -8.979 3.253 1.00 51.52 H new ATOM 0 HG SER A 47 -16.288 -7.831 3.317 1.00 51.10 H new ATOM 749 N MET A 48 -11.443 -7.277 1.855 1.00 40.30 N ATOM 750 CA MET A 48 -10.236 -7.714 1.141 1.00 74.44 C ATOM 751 C MET A 48 -8.968 -7.343 1.926 1.00 14.20 C ATOM 752 O MET A 48 -8.032 -8.137 2.028 1.00 31.15 O ATOM 753 CB MET A 48 -10.192 -7.094 -0.264 1.00 41.25 C ATOM 754 CG MET A 48 -11.332 -7.543 -1.170 1.00 34.21 C ATOM 755 SD MET A 48 -11.295 -6.741 -2.787 1.00 72.44 S ATOM 756 CE MET A 48 -12.621 -7.611 -3.628 1.00 25.23 C ATOM 0 H MET A 48 -11.959 -6.531 1.388 1.00 40.30 H new ATOM 0 HA MET A 48 -10.273 -8.799 1.046 1.00 74.44 H new ATOM 0 HB2 MET A 48 -10.219 -6.008 -0.173 1.00 41.25 H new ATOM 0 HB3 MET A 48 -9.243 -7.351 -0.735 1.00 41.25 H new ATOM 0 HG2 MET A 48 -11.280 -8.624 -1.304 1.00 34.21 H new ATOM 0 HG3 MET A 48 -12.283 -7.327 -0.684 1.00 34.21 H new ATOM 0 HE1 MET A 48 -12.722 -7.227 -4.643 1.00 25.23 H new ATOM 0 HE2 MET A 48 -12.392 -8.676 -3.665 1.00 25.23 H new ATOM 0 HE3 MET A 48 -13.556 -7.459 -3.088 1.00 25.23 H new ATOM 766 N ILE A 49 -8.956 -6.132 2.483 1.00 4.32 N ATOM 767 CA ILE A 49 -7.849 -5.670 3.332 1.00 0.15 C ATOM 768 C ILE A 49 -7.595 -6.655 4.487 1.00 22.54 C ATOM 769 O ILE A 49 -6.497 -7.197 4.627 1.00 51.50 O ATOM 770 CB ILE A 49 -8.142 -4.260 3.911 1.00 13.03 C ATOM 771 CG1 ILE A 49 -8.373 -3.250 2.773 1.00 30.34 C ATOM 772 CG2 ILE A 49 -7.000 -3.797 4.821 1.00 15.31 C ATOM 773 CD1 ILE A 49 -8.740 -1.860 3.252 1.00 60.03 C ATOM 0 H ILE A 49 -9.703 -5.448 2.363 1.00 4.32 H new ATOM 0 HA ILE A 49 -6.958 -5.617 2.706 1.00 0.15 H new ATOM 0 HB ILE A 49 -9.050 -4.318 4.511 1.00 13.03 H new ATOM 0 HG12 ILE A 49 -7.470 -3.188 2.166 1.00 30.34 H new ATOM 0 HG13 ILE A 49 -9.167 -3.622 2.125 1.00 30.34 H new ATOM 0 HG21 ILE A 49 -7.228 -2.807 5.215 1.00 15.31 H new ATOM 0 HG22 ILE A 49 -6.886 -4.499 5.647 1.00 15.31 H new ATOM 0 HG23 ILE A 49 -6.073 -3.756 4.249 1.00 15.31 H new ATOM 0 HD11 ILE A 49 -8.887 -1.206 2.393 1.00 60.03 H new ATOM 0 HD12 ILE A 49 -9.661 -1.907 3.834 1.00 60.03 H new ATOM 0 HD13 ILE A 49 -7.937 -1.466 3.875 1.00 60.03 H new ATOM 785 N SER A 50 -8.627 -6.893 5.296 1.00 13.15 N ATOM 786 CA SER A 50 -8.545 -7.855 6.407 1.00 51.21 C ATOM 787 C SER A 50 -8.159 -9.252 5.904 1.00 43.12 C ATOM 788 O SER A 50 -7.351 -9.950 6.520 1.00 74.02 O ATOM 789 CB SER A 50 -9.889 -7.939 7.147 1.00 62.12 C ATOM 790 OG SER A 50 -10.315 -6.661 7.594 1.00 14.10 O ATOM 0 H SER A 50 -9.534 -6.434 5.207 1.00 13.15 H new ATOM 0 HA SER A 50 -7.773 -7.501 7.090 1.00 51.21 H new ATOM 0 HB2 SER A 50 -10.644 -8.365 6.486 1.00 62.12 H new ATOM 0 HB3 SER A 50 -9.795 -8.612 8.000 1.00 62.12 H new ATOM 0 HG SER A 50 -9.533 -6.094 7.756 1.00 14.10 H new ATOM 796 N SER A 51 -8.737 -9.642 4.766 1.00 33.43 N ATOM 797 CA SER A 51 -8.513 -10.975 4.179 1.00 23.05 C ATOM 798 C SER A 51 -7.035 -11.223 3.847 1.00 21.31 C ATOM 799 O SER A 51 -6.577 -12.368 3.853 1.00 33.43 O ATOM 800 CB SER A 51 -9.360 -11.143 2.908 1.00 74.35 C ATOM 801 OG SER A 51 -9.252 -12.454 2.365 1.00 33.24 O ATOM 0 H SER A 51 -9.369 -9.052 4.225 1.00 33.43 H new ATOM 0 HA SER A 51 -8.814 -11.709 4.926 1.00 23.05 H new ATOM 0 HB2 SER A 51 -10.404 -10.930 3.137 1.00 74.35 H new ATOM 0 HB3 SER A 51 -9.043 -10.414 2.162 1.00 74.35 H new ATOM 0 HG SER A 51 -9.458 -13.114 3.060 1.00 33.24 H new ATOM 807 N ILE A 52 -6.298 -10.153 3.550 1.00 13.11 N ATOM 808 CA ILE A 52 -4.873 -10.260 3.203 1.00 35.23 C ATOM 809 C ILE A 52 -3.963 -9.930 4.401 1.00 44.51 C ATOM 810 O ILE A 52 -3.106 -10.730 4.778 1.00 72.12 O ATOM 811 CB ILE A 52 -4.514 -9.325 2.019 1.00 43.21 C ATOM 812 CG1 ILE A 52 -5.372 -9.667 0.788 1.00 31.11 C ATOM 813 CG2 ILE A 52 -3.022 -9.425 1.685 1.00 13.44 C ATOM 814 CD1 ILE A 52 -5.124 -8.764 -0.403 1.00 71.31 C ATOM 0 H ILE A 52 -6.661 -9.200 3.542 1.00 13.11 H new ATOM 0 HA ILE A 52 -4.702 -11.296 2.912 1.00 35.23 H new ATOM 0 HB ILE A 52 -4.727 -8.297 2.313 1.00 43.21 H new ATOM 0 HG12 ILE A 52 -5.176 -10.699 0.496 1.00 31.11 H new ATOM 0 HG13 ILE A 52 -6.425 -9.608 1.063 1.00 31.11 H new ATOM 0 HG21 ILE A 52 -2.790 -8.762 0.852 1.00 13.44 H new ATOM 0 HG22 ILE A 52 -2.434 -9.133 2.555 1.00 13.44 H new ATOM 0 HG23 ILE A 52 -2.779 -10.451 1.410 1.00 13.44 H new ATOM 0 HD11 ILE A 52 -5.765 -9.068 -1.230 1.00 71.31 H new ATOM 0 HD12 ILE A 52 -5.348 -7.733 -0.130 1.00 71.31 H new ATOM 0 HD13 ILE A 52 -4.080 -8.841 -0.706 1.00 71.31 H new ATOM 826 N VAL A 53 -4.156 -8.750 4.995 1.00 11.11 N ATOM 827 CA VAL A 53 -3.307 -8.286 6.105 1.00 53.03 C ATOM 828 C VAL A 53 -3.385 -9.225 7.321 1.00 0.13 C ATOM 829 O VAL A 53 -2.364 -9.567 7.924 1.00 34.34 O ATOM 830 CB VAL A 53 -3.686 -6.848 6.542 1.00 52.11 C ATOM 831 CG1 VAL A 53 -2.785 -6.363 7.680 1.00 3.42 C ATOM 832 CG2 VAL A 53 -3.620 -5.888 5.353 1.00 3.30 C ATOM 0 H VAL A 53 -4.892 -8.095 4.729 1.00 11.11 H new ATOM 0 HA VAL A 53 -2.283 -8.289 5.731 1.00 53.03 H new ATOM 0 HB VAL A 53 -4.711 -6.868 6.911 1.00 52.11 H new ATOM 0 HG11 VAL A 53 -3.073 -5.352 7.966 1.00 3.42 H new ATOM 0 HG12 VAL A 53 -2.892 -7.027 8.537 1.00 3.42 H new ATOM 0 HG13 VAL A 53 -1.747 -6.364 7.348 1.00 3.42 H new ATOM 0 HG21 VAL A 53 -3.890 -4.884 5.681 1.00 3.30 H new ATOM 0 HG22 VAL A 53 -2.608 -5.878 4.949 1.00 3.30 H new ATOM 0 HG23 VAL A 53 -4.316 -6.217 4.581 1.00 3.30 H new ATOM 842 N ASN A 54 -4.598 -9.635 7.684 1.00 33.13 N ATOM 843 CA ASN A 54 -4.793 -10.584 8.788 1.00 11.33 C ATOM 844 C ASN A 54 -4.712 -12.035 8.286 1.00 34.43 C ATOM 845 O ASN A 54 -4.577 -12.969 9.076 1.00 42.10 O ATOM 846 CB ASN A 54 -6.137 -10.324 9.479 1.00 72.10 C ATOM 847 CG ASN A 54 -6.204 -8.940 10.111 1.00 23.21 C ATOM 848 OD1 ASN A 54 -5.565 -8.000 9.650 1.00 73.54 O ATOM 849 ND2 ASN A 54 -6.978 -8.799 11.169 1.00 22.44 N ATOM 0 H ASN A 54 -5.461 -9.329 7.234 1.00 33.13 H new ATOM 0 HA ASN A 54 -3.994 -10.436 9.514 1.00 11.33 H new ATOM 0 HB2 ASN A 54 -6.943 -10.429 8.752 1.00 72.10 H new ATOM 0 HB3 ASN A 54 -6.300 -11.080 10.247 1.00 72.10 H new ATOM 0 HD21 ASN A 54 -7.057 -7.890 11.626 1.00 22.44 H new ATOM 0 HD22 ASN A 54 -7.498 -9.598 11.531 1.00 22.44 H new ATOM 856 N SER A 55 -4.800 -12.199 6.963 1.00 73.43 N ATOM 857 CA SER A 55 -4.652 -13.506 6.296 1.00 23.52 C ATOM 858 C SER A 55 -5.785 -14.488 6.642 1.00 3.34 C ATOM 859 O SER A 55 -5.758 -15.163 7.675 1.00 23.41 O ATOM 860 CB SER A 55 -3.288 -14.143 6.617 1.00 21.23 C ATOM 861 OG SER A 55 -3.084 -15.339 5.879 1.00 62.41 O ATOM 0 H SER A 55 -4.976 -11.429 6.318 1.00 73.43 H new ATOM 0 HA SER A 55 -4.712 -13.306 5.226 1.00 23.52 H new ATOM 0 HB2 SER A 55 -2.492 -13.434 6.390 1.00 21.23 H new ATOM 0 HB3 SER A 55 -3.228 -14.358 7.684 1.00 21.23 H new ATOM 0 HG SER A 55 -2.209 -15.717 6.105 1.00 62.41 H new ATOM 867 N THR A 56 -6.789 -14.556 5.770 1.00 13.31 N ATOM 868 CA THR A 56 -7.891 -15.518 5.918 1.00 12.34 C ATOM 869 C THR A 56 -7.669 -16.755 5.033 1.00 61.41 C ATOM 870 O THR A 56 -7.397 -17.846 5.535 1.00 15.35 O ATOM 871 CB THR A 56 -9.259 -14.883 5.566 1.00 2.44 C ATOM 872 OG1 THR A 56 -9.239 -14.374 4.220 1.00 21.42 O ATOM 873 CG2 THR A 56 -9.603 -13.755 6.535 1.00 32.51 C ATOM 0 H THR A 56 -6.866 -13.956 4.949 1.00 13.31 H new ATOM 0 HA THR A 56 -7.903 -15.819 6.966 1.00 12.34 H new ATOM 0 HB THR A 56 -10.021 -15.658 5.649 1.00 2.44 H new ATOM 0 HG1 THR A 56 -9.775 -14.956 3.642 1.00 21.42 H new ATOM 0 HG21 THR A 56 -10.568 -13.326 6.266 1.00 32.51 H new ATOM 0 HG22 THR A 56 -9.651 -14.149 7.550 1.00 32.51 H new ATOM 0 HG23 THR A 56 -8.835 -12.983 6.482 1.00 32.51 H new ATOM 881 N TYR A 57 -7.784 -16.575 3.716 1.00 34.35 N ATOM 882 CA TYR A 57 -7.563 -17.669 2.751 1.00 44.11 C ATOM 883 C TYR A 57 -7.183 -17.134 1.356 1.00 20.31 C ATOM 884 O TYR A 57 -7.277 -17.852 0.360 1.00 55.21 O ATOM 885 CB TYR A 57 -8.826 -18.547 2.646 1.00 55.21 C ATOM 886 CG TYR A 57 -10.083 -17.777 2.271 1.00 5.52 C ATOM 887 CD1 TYR A 57 -10.417 -17.541 0.939 1.00 50.23 C ATOM 888 CD2 TYR A 57 -10.929 -17.277 3.252 1.00 41.03 C ATOM 889 CE1 TYR A 57 -11.556 -16.832 0.603 1.00 52.05 C ATOM 890 CE2 TYR A 57 -12.069 -16.572 2.922 1.00 31.51 C ATOM 891 CZ TYR A 57 -12.377 -16.349 1.599 1.00 72.21 C ATOM 892 OH TYR A 57 -13.513 -15.640 1.271 1.00 53.03 O ATOM 0 H TYR A 57 -8.029 -15.683 3.287 1.00 34.35 H new ATOM 0 HA TYR A 57 -6.730 -18.268 3.119 1.00 44.11 H new ATOM 0 HB2 TYR A 57 -8.654 -19.326 1.903 1.00 55.21 H new ATOM 0 HB3 TYR A 57 -8.989 -19.047 3.601 1.00 55.21 H new ATOM 0 HD1 TYR A 57 -9.776 -17.918 0.156 1.00 50.23 H new ATOM 0 HD2 TYR A 57 -10.691 -17.443 4.292 1.00 41.03 H new ATOM 0 HE1 TYR A 57 -11.801 -16.658 -0.434 1.00 52.05 H new ATOM 0 HE2 TYR A 57 -12.717 -16.196 3.700 1.00 31.51 H new ATOM 0 HH TYR A 57 -13.980 -15.373 2.090 1.00 53.03 H new ATOM 902 N TYR A 58 -6.735 -15.881 1.290 1.00 65.24 N ATOM 903 CA TYR A 58 -6.464 -15.231 -0.001 1.00 64.42 C ATOM 904 C TYR A 58 -5.036 -15.531 -0.493 1.00 4.42 C ATOM 905 O TYR A 58 -4.059 -15.293 0.218 1.00 3.03 O ATOM 906 CB TYR A 58 -6.681 -13.713 0.120 1.00 44.33 C ATOM 907 CG TYR A 58 -6.938 -13.025 -1.210 1.00 33.31 C ATOM 908 CD1 TYR A 58 -5.893 -12.557 -1.999 1.00 75.14 C ATOM 909 CD2 TYR A 58 -8.237 -12.854 -1.679 1.00 1.40 C ATOM 910 CE1 TYR A 58 -6.136 -11.936 -3.210 1.00 13.42 C ATOM 911 CE2 TYR A 58 -8.487 -12.235 -2.890 1.00 64.23 C ATOM 912 CZ TYR A 58 -7.434 -11.779 -3.653 1.00 23.21 C ATOM 913 OH TYR A 58 -7.679 -11.160 -4.859 1.00 64.42 O ATOM 0 H TYR A 58 -6.552 -15.296 2.105 1.00 65.24 H new ATOM 0 HA TYR A 58 -7.159 -15.635 -0.737 1.00 64.42 H new ATOM 0 HB2 TYR A 58 -7.525 -13.527 0.784 1.00 44.33 H new ATOM 0 HB3 TYR A 58 -5.804 -13.266 0.587 1.00 44.33 H new ATOM 0 HD1 TYR A 58 -4.875 -12.681 -1.660 1.00 75.14 H new ATOM 0 HD2 TYR A 58 -9.066 -13.212 -1.086 1.00 1.40 H new ATOM 0 HE1 TYR A 58 -5.312 -11.575 -3.808 1.00 13.42 H new ATOM 0 HE2 TYR A 58 -9.502 -12.110 -3.236 1.00 64.23 H new ATOM 0 HH TYR A 58 -8.645 -11.132 -5.022 1.00 64.42 H new ATOM 923 N ALA A 59 -4.925 -16.045 -1.719 1.00 2.02 N ATOM 924 CA ALA A 59 -3.628 -16.426 -2.290 1.00 2.51 C ATOM 925 C ALA A 59 -2.855 -15.215 -2.844 1.00 64.31 C ATOM 926 O ALA A 59 -1.849 -14.794 -2.269 1.00 71.14 O ATOM 927 CB ALA A 59 -3.825 -17.474 -3.379 1.00 3.51 C ATOM 0 H ALA A 59 -5.719 -16.208 -2.339 1.00 2.02 H new ATOM 0 HA ALA A 59 -3.027 -16.848 -1.484 1.00 2.51 H new ATOM 0 HB1 ALA A 59 -2.857 -17.751 -3.797 1.00 3.51 H new ATOM 0 HB2 ALA A 59 -4.302 -18.357 -2.953 1.00 3.51 H new ATOM 0 HB3 ALA A 59 -4.457 -17.065 -4.167 1.00 3.51 H new ATOM 933 N ASN A 60 -3.317 -14.660 -3.965 1.00 33.10 N ATOM 934 CA ASN A 60 -2.640 -13.517 -4.599 1.00 0.25 C ATOM 935 C ASN A 60 -3.622 -12.680 -5.438 1.00 42.21 C ATOM 936 O ASN A 60 -4.606 -13.200 -5.966 1.00 44.53 O ATOM 937 CB ASN A 60 -1.480 -14.018 -5.481 1.00 72.13 C ATOM 938 CG ASN A 60 -0.619 -12.892 -6.029 1.00 62.43 C ATOM 939 OD1 ASN A 60 -0.473 -11.840 -5.409 1.00 5.14 O ATOM 940 ND2 ASN A 60 -0.045 -13.097 -7.198 1.00 50.54 N ATOM 0 H ASN A 60 -4.153 -14.978 -4.455 1.00 33.10 H new ATOM 0 HA ASN A 60 -2.244 -12.877 -3.811 1.00 0.25 H new ATOM 0 HB2 ASN A 60 -0.855 -14.695 -4.899 1.00 72.13 H new ATOM 0 HB3 ASN A 60 -1.886 -14.594 -6.312 1.00 72.13 H new ATOM 0 HD21 ASN A 60 0.540 -12.372 -7.613 1.00 50.54 H new ATOM 0 HD22 ASN A 60 -0.186 -13.981 -7.687 1.00 50.54 H new ATOM 947 N VAL A 61 -3.354 -11.381 -5.552 1.00 54.12 N ATOM 948 CA VAL A 61 -4.219 -10.477 -6.321 1.00 12.32 C ATOM 949 C VAL A 61 -3.858 -10.482 -7.815 1.00 35.33 C ATOM 950 O VAL A 61 -2.913 -11.151 -8.238 1.00 50.42 O ATOM 951 CB VAL A 61 -4.149 -9.026 -5.781 1.00 55.32 C ATOM 952 CG1 VAL A 61 -4.684 -8.947 -4.353 1.00 42.43 C ATOM 953 CG2 VAL A 61 -2.722 -8.499 -5.853 1.00 22.51 C ATOM 0 H VAL A 61 -2.547 -10.927 -5.124 1.00 54.12 H new ATOM 0 HA VAL A 61 -5.237 -10.849 -6.204 1.00 12.32 H new ATOM 0 HB VAL A 61 -4.780 -8.398 -6.410 1.00 55.32 H new ATOM 0 HG11 VAL A 61 -4.624 -7.918 -3.998 1.00 42.43 H new ATOM 0 HG12 VAL A 61 -5.723 -9.277 -4.335 1.00 42.43 H new ATOM 0 HG13 VAL A 61 -4.088 -9.590 -3.705 1.00 42.43 H new ATOM 0 HG21 VAL A 61 -2.691 -7.479 -5.470 1.00 22.51 H new ATOM 0 HG22 VAL A 61 -2.069 -9.132 -5.252 1.00 22.51 H new ATOM 0 HG23 VAL A 61 -2.383 -8.508 -6.889 1.00 22.51 H new ATOM 963 N SER A 62 -4.613 -9.727 -8.608 1.00 70.30 N ATOM 964 CA SER A 62 -4.405 -9.672 -10.063 1.00 3.02 C ATOM 965 C SER A 62 -3.427 -8.556 -10.469 1.00 61.12 C ATOM 966 O SER A 62 -3.173 -7.621 -9.704 1.00 41.54 O ATOM 967 CB SER A 62 -5.748 -9.463 -10.773 1.00 63.41 C ATOM 968 OG SER A 62 -6.682 -10.476 -10.421 1.00 51.34 O ATOM 0 H SER A 62 -5.378 -9.141 -8.272 1.00 70.30 H new ATOM 0 HA SER A 62 -3.965 -10.622 -10.365 1.00 3.02 H new ATOM 0 HB2 SER A 62 -6.152 -8.485 -10.510 1.00 63.41 H new ATOM 0 HB3 SER A 62 -5.595 -9.465 -11.852 1.00 63.41 H new ATOM 0 HG SER A 62 -7.529 -10.316 -10.887 1.00 51.34 H new ATOM 974 N ALA A 63 -2.903 -8.651 -11.695 1.00 74.31 N ATOM 975 CA ALA A 63 -1.948 -7.667 -12.231 1.00 75.23 C ATOM 976 C ALA A 63 -2.537 -6.248 -12.270 1.00 44.11 C ATOM 977 O ALA A 63 -1.801 -5.257 -12.270 1.00 41.20 O ATOM 978 CB ALA A 63 -1.496 -8.084 -13.626 1.00 1.13 C ATOM 0 H ALA A 63 -3.125 -9.407 -12.343 1.00 74.31 H new ATOM 0 HA ALA A 63 -1.090 -7.645 -11.559 1.00 75.23 H new ATOM 0 HB1 ALA A 63 -0.790 -7.350 -14.014 1.00 1.13 H new ATOM 0 HB2 ALA A 63 -1.014 -9.060 -13.576 1.00 1.13 H new ATOM 0 HB3 ALA A 63 -2.361 -8.140 -14.287 1.00 1.13 H new ATOM 984 N ALA A 64 -3.867 -6.161 -12.304 1.00 0.44 N ATOM 985 CA ALA A 64 -4.579 -4.876 -12.258 1.00 24.13 C ATOM 986 C ALA A 64 -4.088 -3.978 -11.111 1.00 0.52 C ATOM 987 O ALA A 64 -4.231 -2.759 -11.163 1.00 10.35 O ATOM 988 CB ALA A 64 -6.075 -5.121 -12.119 1.00 62.33 C ATOM 0 H ALA A 64 -4.482 -6.973 -12.364 1.00 0.44 H new ATOM 0 HA ALA A 64 -4.372 -4.353 -13.192 1.00 24.13 H new ATOM 0 HB1 ALA A 64 -6.599 -4.166 -12.085 1.00 62.33 H new ATOM 0 HB2 ALA A 64 -6.430 -5.699 -12.972 1.00 62.33 H new ATOM 0 HB3 ALA A 64 -6.269 -5.674 -11.200 1.00 62.33 H new ATOM 994 N LYS A 65 -3.509 -4.591 -10.081 1.00 34.54 N ATOM 995 CA LYS A 65 -2.974 -3.855 -8.931 1.00 51.52 C ATOM 996 C LYS A 65 -1.932 -2.801 -9.357 1.00 13.40 C ATOM 997 O LYS A 65 -1.982 -1.654 -8.915 1.00 54.13 O ATOM 998 CB LYS A 65 -2.360 -4.839 -7.924 1.00 3.13 C ATOM 999 CG LYS A 65 -1.831 -4.184 -6.649 1.00 54.34 C ATOM 1000 CD LYS A 65 -1.388 -5.212 -5.602 1.00 3.11 C ATOM 1001 CE LYS A 65 -0.095 -5.939 -5.987 1.00 44.11 C ATOM 1002 NZ LYS A 65 -0.229 -6.794 -7.202 1.00 12.25 N ATOM 0 H LYS A 65 -3.397 -5.603 -10.017 1.00 34.54 H new ATOM 0 HA LYS A 65 -3.800 -3.321 -8.460 1.00 51.52 H new ATOM 0 HB2 LYS A 65 -3.112 -5.580 -7.653 1.00 3.13 H new ATOM 0 HB3 LYS A 65 -1.544 -5.375 -8.409 1.00 3.13 H new ATOM 0 HG2 LYS A 65 -0.989 -3.538 -6.898 1.00 54.34 H new ATOM 0 HG3 LYS A 65 -2.606 -3.547 -6.223 1.00 54.34 H new ATOM 0 HD2 LYS A 65 -1.245 -4.710 -4.645 1.00 3.11 H new ATOM 0 HD3 LYS A 65 -2.182 -5.945 -5.461 1.00 3.11 H new ATOM 0 HE2 LYS A 65 0.690 -5.202 -6.157 1.00 44.11 H new ATOM 0 HE3 LYS A 65 0.226 -6.559 -5.150 1.00 44.11 H new ATOM 0 HZ1 LYS A 65 0.251 -7.702 -7.042 1.00 12.25 H new ATOM 0 HZ2 LYS A 65 -1.236 -6.965 -7.397 1.00 12.25 H new ATOM 0 HZ3 LYS A 65 0.204 -6.312 -8.015 1.00 12.25 H new ATOM 1016 N CYS A 66 -1.004 -3.189 -10.233 1.00 22.21 N ATOM 1017 CA CYS A 66 0.039 -2.266 -10.716 1.00 52.10 C ATOM 1018 C CYS A 66 -0.569 -1.096 -11.510 1.00 21.21 C ATOM 1019 O CYS A 66 0.047 -0.038 -11.657 1.00 23.42 O ATOM 1020 CB CYS A 66 1.057 -3.014 -11.590 1.00 32.12 C ATOM 1021 SG CYS A 66 2.469 -2.007 -12.114 1.00 53.03 S ATOM 0 H CYS A 66 -0.948 -4.129 -10.624 1.00 22.21 H new ATOM 0 HA CYS A 66 0.547 -1.859 -9.842 1.00 52.10 H new ATOM 0 HB2 CYS A 66 1.427 -3.878 -11.038 1.00 32.12 H new ATOM 0 HB3 CYS A 66 0.548 -3.395 -12.476 1.00 32.12 H new ATOM 0 HG CYS A 66 2.116 -0.757 -12.164 1.00 53.03 H new ATOM 1027 N GLN A 67 -1.789 -1.299 -12.014 1.00 0.20 N ATOM 1028 CA GLN A 67 -2.507 -0.269 -12.775 1.00 11.14 C ATOM 1029 C GLN A 67 -3.413 0.577 -11.862 1.00 53.14 C ATOM 1030 O GLN A 67 -3.164 1.763 -11.659 1.00 42.51 O ATOM 1031 CB GLN A 67 -3.348 -0.923 -13.882 1.00 43.13 C ATOM 1032 CG GLN A 67 -2.530 -1.695 -14.912 1.00 33.31 C ATOM 1033 CD GLN A 67 -3.399 -2.340 -15.979 1.00 74.21 C ATOM 1034 OE1 GLN A 67 -3.812 -3.572 -15.750 1.00 72.35 O flip ATOM 1035 NE2 GLN A 67 -3.697 -1.734 -17.005 1.00 61.40 N flip ATOM 0 H GLN A 67 -2.304 -2.173 -11.909 1.00 0.20 H new ATOM 0 HA GLN A 67 -1.766 0.393 -13.223 1.00 11.14 H new ATOM 0 HB2 GLN A 67 -4.068 -1.601 -13.424 1.00 43.13 H new ATOM 0 HB3 GLN A 67 -3.920 -0.149 -14.394 1.00 43.13 H new ATOM 0 HG2 GLN A 67 -1.818 -1.019 -15.387 1.00 33.31 H new ATOM 0 HG3 GLN A 67 -1.949 -2.466 -14.406 1.00 33.31 H new ATOM 0 HE21 GLN A 67 -3.361 -0.782 -17.151 1.00 61.40 H new ATOM 0 HE22 GLN A 67 -4.281 -2.183 -17.711 1.00 61.40 H new ATOM 1044 N GLU A 68 -4.459 -0.041 -11.311 1.00 1.33 N ATOM 1045 CA GLU A 68 -5.438 0.667 -10.466 1.00 13.41 C ATOM 1046 C GLU A 68 -4.830 1.174 -9.150 1.00 31.31 C ATOM 1047 O GLU A 68 -4.887 2.370 -8.855 1.00 61.14 O ATOM 1048 CB GLU A 68 -6.639 -0.241 -10.163 1.00 22.14 C ATOM 1049 CG GLU A 68 -7.468 -0.594 -11.393 1.00 72.22 C ATOM 1050 CD GLU A 68 -8.002 0.636 -12.109 1.00 42.31 C ATOM 1051 OE1 GLU A 68 -8.950 1.267 -11.597 1.00 72.11 O ATOM 1052 OE2 GLU A 68 -7.463 0.991 -13.179 1.00 15.41 O ATOM 0 H GLU A 68 -4.655 -1.035 -11.432 1.00 1.33 H new ATOM 0 HA GLU A 68 -5.765 1.539 -11.032 1.00 13.41 H new ATOM 0 HB2 GLU A 68 -6.280 -1.161 -9.702 1.00 22.14 H new ATOM 0 HB3 GLU A 68 -7.281 0.252 -9.433 1.00 22.14 H new ATOM 0 HG2 GLU A 68 -6.858 -1.176 -12.084 1.00 72.22 H new ATOM 0 HG3 GLU A 68 -8.303 -1.228 -11.094 1.00 72.22 H new ATOM 1059 N PHE A 69 -4.263 0.268 -8.353 1.00 40.22 N ATOM 1060 CA PHE A 69 -3.666 0.647 -7.064 1.00 71.25 C ATOM 1061 C PHE A 69 -2.530 1.657 -7.267 1.00 63.02 C ATOM 1062 O PHE A 69 -2.386 2.606 -6.498 1.00 51.13 O ATOM 1063 CB PHE A 69 -3.152 -0.596 -6.319 1.00 32.12 C ATOM 1064 CG PHE A 69 -2.556 -0.294 -4.962 1.00 31.23 C ATOM 1065 CD1 PHE A 69 -3.373 -0.114 -3.855 1.00 3.11 C ATOM 1066 CD2 PHE A 69 -1.180 -0.191 -4.796 1.00 34.21 C ATOM 1067 CE1 PHE A 69 -2.833 0.164 -2.614 1.00 45.03 C ATOM 1068 CE2 PHE A 69 -0.637 0.086 -3.556 1.00 24.52 C ATOM 1069 CZ PHE A 69 -1.462 0.263 -2.465 1.00 53.21 C ATOM 0 H PHE A 69 -4.203 -0.727 -8.571 1.00 40.22 H new ATOM 0 HA PHE A 69 -4.439 1.118 -6.457 1.00 71.25 H new ATOM 0 HB2 PHE A 69 -3.975 -1.300 -6.195 1.00 32.12 H new ATOM 0 HB3 PHE A 69 -2.400 -1.091 -6.933 1.00 32.12 H new ATOM 0 HD1 PHE A 69 -4.445 -0.192 -3.965 1.00 3.11 H new ATOM 0 HD2 PHE A 69 -0.528 -0.329 -5.646 1.00 34.21 H new ATOM 0 HE1 PHE A 69 -3.481 0.304 -1.761 1.00 45.03 H new ATOM 0 HE2 PHE A 69 0.434 0.164 -3.441 1.00 24.52 H new ATOM 0 HZ PHE A 69 -1.038 0.479 -1.496 1.00 53.21 H new ATOM 1079 N GLY A 70 -1.728 1.443 -8.309 1.00 25.52 N ATOM 1080 CA GLY A 70 -0.680 2.397 -8.661 1.00 40.30 C ATOM 1081 C GLY A 70 -1.239 3.746 -9.108 1.00 40.20 C ATOM 1082 O GLY A 70 -0.700 4.797 -8.757 1.00 60.31 O ATOM 0 H GLY A 70 -1.783 0.626 -8.918 1.00 25.52 H new ATOM 0 HA2 GLY A 70 -0.026 2.546 -7.802 1.00 40.30 H new ATOM 0 HA3 GLY A 70 -0.067 1.979 -9.460 1.00 40.30 H new ATOM 1086 N ARG A 71 -2.323 3.709 -9.885 1.00 45.14 N ATOM 1087 CA ARG A 71 -3.001 4.925 -10.348 1.00 5.30 C ATOM 1088 C ARG A 71 -3.484 5.773 -9.160 1.00 24.21 C ATOM 1089 O ARG A 71 -3.334 6.996 -9.157 1.00 53.23 O ATOM 1090 CB ARG A 71 -4.171 4.541 -11.278 1.00 15.45 C ATOM 1091 CG ARG A 71 -4.997 5.715 -11.817 1.00 41.04 C ATOM 1092 CD ARG A 71 -6.240 5.990 -10.970 1.00 12.12 C ATOM 1093 NE ARG A 71 -7.160 4.848 -10.949 1.00 23.45 N ATOM 1094 CZ ARG A 71 -8.065 4.651 -10.026 1.00 15.52 C ATOM 1095 NH1 ARG A 71 -8.194 5.482 -9.040 1.00 71.20 N ATOM 1096 NH2 ARG A 71 -8.837 3.616 -10.089 1.00 31.02 N ATOM 0 H ARG A 71 -2.754 2.844 -10.210 1.00 45.14 H new ATOM 0 HA ARG A 71 -2.294 5.535 -10.911 1.00 5.30 H new ATOM 0 HB2 ARG A 71 -3.772 3.982 -12.124 1.00 15.45 H new ATOM 0 HB3 ARG A 71 -4.837 3.869 -10.737 1.00 15.45 H new ATOM 0 HG2 ARG A 71 -4.375 6.610 -11.846 1.00 41.04 H new ATOM 0 HG3 ARG A 71 -5.299 5.503 -12.843 1.00 41.04 H new ATOM 0 HD2 ARG A 71 -5.937 6.229 -9.951 1.00 12.12 H new ATOM 0 HD3 ARG A 71 -6.759 6.865 -11.362 1.00 12.12 H new ATOM 0 HE ARG A 71 -7.089 4.164 -11.702 1.00 23.45 H new ATOM 0 HH11 ARG A 71 -7.586 6.299 -8.979 1.00 71.20 H new ATOM 0 HH12 ARG A 71 -8.903 5.319 -8.325 1.00 71.20 H new ATOM 0 HH21 ARG A 71 -8.740 2.953 -10.858 1.00 31.02 H new ATOM 0 HH22 ARG A 71 -9.543 3.462 -9.369 1.00 31.02 H new ATOM 1110 N TRP A 72 -4.061 5.117 -8.158 1.00 14.32 N ATOM 1111 CA TRP A 72 -4.455 5.789 -6.913 1.00 14.11 C ATOM 1112 C TRP A 72 -3.221 6.267 -6.128 1.00 73.44 C ATOM 1113 O TRP A 72 -3.110 7.442 -5.765 1.00 1.10 O ATOM 1114 CB TRP A 72 -5.297 4.838 -6.043 1.00 41.13 C ATOM 1115 CG TRP A 72 -5.482 5.325 -4.632 1.00 64.24 C ATOM 1116 CD1 TRP A 72 -6.358 6.276 -4.198 1.00 22.30 C ATOM 1117 CD2 TRP A 72 -4.761 4.883 -3.474 1.00 40.12 C ATOM 1118 NE1 TRP A 72 -6.221 6.461 -2.843 1.00 12.03 N ATOM 1119 CE2 TRP A 72 -5.248 5.614 -2.375 1.00 64.34 C ATOM 1120 CE3 TRP A 72 -3.750 3.941 -3.261 1.00 33.45 C ATOM 1121 CZ2 TRP A 72 -4.759 5.432 -1.084 1.00 40.24 C ATOM 1122 CZ3 TRP A 72 -3.265 3.761 -1.979 1.00 31.00 C ATOM 1123 CH2 TRP A 72 -3.770 4.504 -0.904 1.00 3.12 C ATOM 0 H TRP A 72 -4.269 4.119 -8.179 1.00 14.32 H new ATOM 0 HA TRP A 72 -5.053 6.663 -7.173 1.00 14.11 H new ATOM 0 HB2 TRP A 72 -6.275 4.706 -6.505 1.00 41.13 H new ATOM 0 HB3 TRP A 72 -4.819 3.858 -6.022 1.00 41.13 H new ATOM 0 HD1 TRP A 72 -7.057 6.806 -4.827 1.00 22.30 H new ATOM 0 HE1 TRP A 72 -6.755 7.120 -2.277 1.00 12.03 H new ATOM 0 HE3 TRP A 72 -3.355 3.364 -4.084 1.00 33.45 H new ATOM 0 HZ2 TRP A 72 -5.147 6.003 -0.254 1.00 40.24 H new ATOM 0 HZ3 TRP A 72 -2.484 3.036 -1.803 1.00 31.00 H new ATOM 0 HH2 TRP A 72 -3.371 4.341 0.086 1.00 3.12 H new ATOM 1134 N TYR A 73 -2.289 5.345 -5.885 1.00 2.15 N ATOM 1135 CA TYR A 73 -1.094 5.633 -5.086 1.00 15.23 C ATOM 1136 C TYR A 73 -0.245 6.745 -5.726 1.00 25.33 C ATOM 1137 O TYR A 73 0.532 7.412 -5.045 1.00 64.24 O ATOM 1138 CB TYR A 73 -0.254 4.355 -4.904 1.00 13.32 C ATOM 1139 CG TYR A 73 0.719 4.412 -3.737 1.00 1.14 C ATOM 1140 CD1 TYR A 73 0.303 4.076 -2.452 1.00 35.14 C ATOM 1141 CD2 TYR A 73 2.043 4.797 -3.915 1.00 43.13 C ATOM 1142 CE1 TYR A 73 1.176 4.122 -1.381 1.00 12.40 C ATOM 1143 CE2 TYR A 73 2.921 4.845 -2.848 1.00 72.12 C ATOM 1144 CZ TYR A 73 2.483 4.507 -1.584 1.00 52.23 C ATOM 1145 OH TYR A 73 3.357 4.556 -0.519 1.00 61.44 O ATOM 0 H TYR A 73 -2.338 4.387 -6.231 1.00 2.15 H new ATOM 0 HA TYR A 73 -1.421 5.985 -4.108 1.00 15.23 H new ATOM 0 HB2 TYR A 73 -0.926 3.509 -4.762 1.00 13.32 H new ATOM 0 HB3 TYR A 73 0.305 4.167 -5.821 1.00 13.32 H new ATOM 0 HD1 TYR A 73 -0.721 3.774 -2.289 1.00 35.14 H new ATOM 0 HD2 TYR A 73 2.391 5.063 -4.902 1.00 43.13 H new ATOM 0 HE1 TYR A 73 0.835 3.858 -0.391 1.00 12.40 H new ATOM 0 HE2 TYR A 73 3.946 5.146 -3.003 1.00 72.12 H new ATOM 0 HH TYR A 73 4.239 4.845 -0.833 1.00 61.44 H new ATOM 1155 N LYS A 74 -0.403 6.946 -7.036 1.00 72.24 N ATOM 1156 CA LYS A 74 0.309 8.011 -7.747 1.00 63.51 C ATOM 1157 C LYS A 74 -0.042 9.399 -7.180 1.00 35.13 C ATOM 1158 O LYS A 74 0.843 10.194 -6.875 1.00 35.42 O ATOM 1159 CB LYS A 74 -0.005 7.967 -9.246 1.00 15.50 C ATOM 1160 CG LYS A 74 0.825 8.946 -10.072 1.00 14.02 C ATOM 1161 CD LYS A 74 0.451 8.907 -11.551 1.00 34.45 C ATOM 1162 CE LYS A 74 -0.964 9.419 -11.800 1.00 22.31 C ATOM 1163 NZ LYS A 74 -1.304 9.419 -13.246 1.00 75.34 N ATOM 0 H LYS A 74 -1.018 6.385 -7.626 1.00 72.24 H new ATOM 0 HA LYS A 74 1.376 7.842 -7.602 1.00 63.51 H new ATOM 0 HB2 LYS A 74 0.167 6.956 -9.615 1.00 15.50 H new ATOM 0 HB3 LYS A 74 -1.063 8.185 -9.394 1.00 15.50 H new ATOM 0 HG2 LYS A 74 0.682 9.956 -9.688 1.00 14.02 H new ATOM 0 HG3 LYS A 74 1.883 8.709 -9.959 1.00 14.02 H new ATOM 0 HD2 LYS A 74 1.159 9.510 -12.119 1.00 34.45 H new ATOM 0 HD3 LYS A 74 0.536 7.884 -11.919 1.00 34.45 H new ATOM 0 HE2 LYS A 74 -1.676 8.796 -11.259 1.00 22.31 H new ATOM 0 HE3 LYS A 74 -1.060 10.430 -11.404 1.00 22.31 H new ATOM 0 HZ1 LYS A 74 -1.914 10.234 -13.459 1.00 75.34 H new ATOM 0 HZ2 LYS A 74 -0.431 9.484 -13.808 1.00 75.34 H new ATOM 0 HZ3 LYS A 74 -1.805 8.539 -13.485 1.00 75.34 H new ATOM 1177 N HIS A 75 -1.338 9.679 -7.029 1.00 53.32 N ATOM 1178 CA HIS A 75 -1.794 10.955 -6.458 1.00 63.43 C ATOM 1179 C HIS A 75 -1.466 11.032 -4.956 1.00 43.42 C ATOM 1180 O HIS A 75 -1.453 12.111 -4.360 1.00 34.22 O ATOM 1181 CB HIS A 75 -3.304 11.120 -6.682 1.00 4.32 C ATOM 1182 CG HIS A 75 -3.836 12.465 -6.282 1.00 10.32 C ATOM 1183 ND1 HIS A 75 -4.549 12.684 -5.123 1.00 3.13 N ATOM 1184 CD2 HIS A 75 -3.759 13.669 -6.899 1.00 11.52 C ATOM 1185 CE1 HIS A 75 -4.887 13.953 -5.046 1.00 60.51 C ATOM 1186 NE2 HIS A 75 -4.420 14.572 -6.107 1.00 22.35 N ATOM 0 H HIS A 75 -2.091 9.043 -7.292 1.00 53.32 H new ATOM 0 HA HIS A 75 -1.268 11.766 -6.962 1.00 63.43 H new ATOM 0 HB2 HIS A 75 -3.525 10.952 -7.736 1.00 4.32 H new ATOM 0 HB3 HIS A 75 -3.831 10.350 -6.119 1.00 4.32 H new ATOM 0 HD2 HIS A 75 -3.269 13.878 -7.838 1.00 11.52 H new ATOM 0 HE1 HIS A 75 -5.452 14.409 -4.247 1.00 60.51 H new ATOM 0 HE2 HIS A 75 -4.531 15.566 -6.309 1.00 22.35 H new ATOM 1195 N PHE A 76 -1.204 9.872 -4.364 1.00 51.44 N ATOM 1196 CA PHE A 76 -0.852 9.762 -2.945 1.00 74.12 C ATOM 1197 C PHE A 76 0.641 10.079 -2.710 1.00 70.40 C ATOM 1198 O PHE A 76 1.002 10.716 -1.717 1.00 24.34 O ATOM 1199 CB PHE A 76 -1.188 8.341 -2.467 1.00 3.22 C ATOM 1200 CG PHE A 76 -0.966 8.087 -0.994 1.00 32.42 C ATOM 1201 CD1 PHE A 76 -1.952 8.397 -0.066 1.00 71.54 C ATOM 1202 CD2 PHE A 76 0.220 7.520 -0.539 1.00 63.41 C ATOM 1203 CE1 PHE A 76 -1.759 8.151 1.281 1.00 54.33 C ATOM 1204 CE2 PHE A 76 0.415 7.272 0.806 1.00 31.34 C ATOM 1205 CZ PHE A 76 -0.575 7.587 1.717 1.00 4.32 C ATOM 0 H PHE A 76 -1.229 8.977 -4.852 1.00 51.44 H new ATOM 0 HA PHE A 76 -1.427 10.491 -2.374 1.00 74.12 H new ATOM 0 HB2 PHE A 76 -2.232 8.134 -2.702 1.00 3.22 H new ATOM 0 HB3 PHE A 76 -0.587 7.632 -3.036 1.00 3.22 H new ATOM 0 HD1 PHE A 76 -2.881 8.835 -0.401 1.00 71.54 H new ATOM 0 HD2 PHE A 76 0.998 7.271 -1.246 1.00 63.41 H new ATOM 0 HE1 PHE A 76 -2.533 8.399 1.992 1.00 54.33 H new ATOM 0 HE2 PHE A 76 1.341 6.832 1.145 1.00 31.34 H new ATOM 0 HZ PHE A 76 -0.424 7.393 2.769 1.00 4.32 H new ATOM 1215 N LYS A 77 1.504 9.633 -3.632 1.00 11.43 N ATOM 1216 CA LYS A 77 2.962 9.838 -3.507 1.00 2.24 C ATOM 1217 C LYS A 77 3.441 11.111 -4.235 1.00 63.44 C ATOM 1218 O LYS A 77 4.328 11.812 -3.747 1.00 41.13 O ATOM 1219 CB LYS A 77 3.723 8.609 -4.041 1.00 15.10 C ATOM 1220 CG LYS A 77 3.464 8.297 -5.515 1.00 24.45 C ATOM 1221 CD LYS A 77 4.133 6.992 -5.952 1.00 42.01 C ATOM 1222 CE LYS A 77 3.793 6.630 -7.396 1.00 14.24 C ATOM 1223 NZ LYS A 77 4.351 5.308 -7.790 1.00 22.13 N ATOM 0 H LYS A 77 1.223 9.128 -4.473 1.00 11.43 H new ATOM 0 HA LYS A 77 3.176 9.968 -2.446 1.00 2.24 H new ATOM 0 HB2 LYS A 77 4.792 8.769 -3.898 1.00 15.10 H new ATOM 0 HB3 LYS A 77 3.448 7.739 -3.444 1.00 15.10 H new ATOM 0 HG2 LYS A 77 2.390 8.229 -5.688 1.00 24.45 H new ATOM 0 HG3 LYS A 77 3.834 9.118 -6.130 1.00 24.45 H new ATOM 0 HD2 LYS A 77 5.214 7.086 -5.847 1.00 42.01 H new ATOM 0 HD3 LYS A 77 3.817 6.184 -5.292 1.00 42.01 H new ATOM 0 HE2 LYS A 77 2.710 6.617 -7.520 1.00 14.24 H new ATOM 0 HE3 LYS A 77 4.181 7.400 -8.063 1.00 14.24 H new ATOM 0 HZ1 LYS A 77 4.229 5.171 -8.814 1.00 22.13 H new ATOM 0 HZ2 LYS A 77 5.363 5.274 -7.554 1.00 22.13 H new ATOM 0 HZ3 LYS A 77 3.851 4.554 -7.278 1.00 22.13 H new ATOM 1237 N LYS A 78 2.863 11.386 -5.411 1.00 31.00 N ATOM 1238 CA LYS A 78 3.209 12.574 -6.218 1.00 44.13 C ATOM 1239 C LYS A 78 4.687 12.579 -6.665 1.00 21.12 C ATOM 1240 O LYS A 78 5.209 13.612 -7.091 1.00 13.41 O ATOM 1241 CB LYS A 78 2.900 13.860 -5.429 1.00 21.52 C ATOM 1242 CG LYS A 78 1.437 13.996 -5.008 1.00 61.24 C ATOM 1243 CD LYS A 78 0.503 14.224 -6.199 1.00 33.42 C ATOM 1244 CE LYS A 78 0.792 15.545 -6.907 1.00 25.44 C ATOM 1245 NZ LYS A 78 -0.225 15.852 -7.949 1.00 64.13 N ATOM 0 H LYS A 78 2.145 10.797 -5.833 1.00 31.00 H new ATOM 0 HA LYS A 78 2.597 12.534 -7.119 1.00 44.13 H new ATOM 0 HB2 LYS A 78 3.528 13.887 -4.538 1.00 21.52 H new ATOM 0 HB3 LYS A 78 3.174 14.722 -6.038 1.00 21.52 H new ATOM 0 HG2 LYS A 78 1.130 13.095 -4.477 1.00 61.24 H new ATOM 0 HG3 LYS A 78 1.339 14.827 -4.309 1.00 61.24 H new ATOM 0 HD2 LYS A 78 0.611 13.402 -6.907 1.00 33.42 H new ATOM 0 HD3 LYS A 78 -0.531 14.215 -5.855 1.00 33.42 H new ATOM 0 HE2 LYS A 78 0.816 16.352 -6.174 1.00 25.44 H new ATOM 0 HE3 LYS A 78 1.780 15.502 -7.366 1.00 25.44 H new ATOM 0 HZ1 LYS A 78 0.008 16.757 -8.406 1.00 64.13 H new ATOM 0 HZ2 LYS A 78 -0.230 15.095 -8.663 1.00 64.13 H new ATOM 0 HZ3 LYS A 78 -1.165 15.919 -7.508 1.00 64.13 H new ATOM 1259 N THR A 79 5.342 11.419 -6.599 1.00 25.33 N ATOM 1260 CA THR A 79 6.785 11.310 -6.895 1.00 4.24 C ATOM 1261 C THR A 79 7.081 10.943 -8.360 1.00 4.24 C ATOM 1262 O THR A 79 8.241 10.959 -8.780 1.00 53.24 O ATOM 1263 CB THR A 79 7.472 10.264 -5.978 1.00 53.25 C ATOM 1264 OG1 THR A 79 6.836 8.982 -6.116 1.00 4.22 O ATOM 1265 CG2 THR A 79 7.424 10.699 -4.515 1.00 2.45 C ATOM 0 H THR A 79 4.901 10.535 -6.343 1.00 25.33 H new ATOM 0 HA THR A 79 7.190 12.304 -6.705 1.00 4.24 H new ATOM 0 HB THR A 79 8.515 10.187 -6.286 1.00 53.25 H new ATOM 0 HG1 THR A 79 7.171 8.375 -5.424 1.00 4.22 H new ATOM 0 HG21 THR A 79 7.913 9.947 -3.896 1.00 2.45 H new ATOM 0 HG22 THR A 79 7.939 11.653 -4.402 1.00 2.45 H new ATOM 0 HG23 THR A 79 6.386 10.808 -4.202 1.00 2.45 H new ATOM 1273 N LYS A 80 6.049 10.606 -9.135 1.00 1.03 N ATOM 1274 CA LYS A 80 6.235 10.230 -10.547 1.00 53.45 C ATOM 1275 C LYS A 80 4.917 10.390 -11.328 1.00 5.10 C ATOM 1276 O LYS A 80 3.864 9.953 -10.866 1.00 12.10 O ATOM 1277 CB LYS A 80 6.760 8.777 -10.639 1.00 4.22 C ATOM 1278 CG LYS A 80 7.445 8.413 -11.964 1.00 62.33 C ATOM 1279 CD LYS A 80 6.457 8.270 -13.119 1.00 22.30 C ATOM 1280 CE LYS A 80 7.157 7.908 -14.422 1.00 11.14 C ATOM 1281 NZ LYS A 80 6.193 7.721 -15.535 1.00 22.00 N ATOM 0 H LYS A 80 5.080 10.584 -8.817 1.00 1.03 H new ATOM 0 HA LYS A 80 6.972 10.895 -10.997 1.00 53.45 H new ATOM 0 HB2 LYS A 80 7.466 8.610 -9.825 1.00 4.22 H new ATOM 0 HB3 LYS A 80 5.925 8.095 -10.481 1.00 4.22 H new ATOM 0 HG2 LYS A 80 8.178 9.180 -12.212 1.00 62.33 H new ATOM 0 HG3 LYS A 80 7.991 7.478 -11.841 1.00 62.33 H new ATOM 0 HD2 LYS A 80 5.723 7.502 -12.876 1.00 22.30 H new ATOM 0 HD3 LYS A 80 5.911 9.204 -13.248 1.00 22.30 H new ATOM 0 HE2 LYS A 80 7.866 8.694 -14.684 1.00 11.14 H new ATOM 0 HE3 LYS A 80 7.733 6.993 -14.283 1.00 11.14 H new ATOM 0 HZ1 LYS A 80 6.709 7.476 -16.404 1.00 22.00 H new ATOM 0 HZ2 LYS A 80 5.532 6.954 -15.297 1.00 22.00 H new ATOM 0 HZ3 LYS A 80 5.661 8.602 -15.685 1.00 22.00 H new ATOM 1295 N ASP A 81 5.000 11.018 -12.504 1.00 11.24 N ATOM 1296 CA ASP A 81 3.833 11.286 -13.356 1.00 62.35 C ATOM 1297 C ASP A 81 2.849 12.236 -12.645 1.00 74.42 C ATOM 1298 O ASP A 81 1.852 11.813 -12.055 1.00 63.20 O ATOM 1299 CB ASP A 81 3.146 9.976 -13.788 1.00 13.14 C ATOM 1300 CG ASP A 81 2.138 10.184 -14.909 1.00 31.45 C ATOM 1301 OD1 ASP A 81 2.563 10.474 -16.047 1.00 33.44 O ATOM 1302 OD2 ASP A 81 0.920 10.052 -14.667 1.00 43.14 O ATOM 0 H ASP A 81 5.879 11.357 -12.895 1.00 11.24 H new ATOM 0 HA ASP A 81 4.179 11.782 -14.263 1.00 62.35 H new ATOM 0 HB2 ASP A 81 3.904 9.263 -14.114 1.00 13.14 H new ATOM 0 HB3 ASP A 81 2.642 9.534 -12.929 1.00 13.14 H new ATOM 1307 N MET A 82 3.166 13.527 -12.691 1.00 54.33 N ATOM 1308 CA MET A 82 2.392 14.555 -11.990 1.00 54.00 C ATOM 1309 C MET A 82 1.117 14.921 -12.762 1.00 42.12 C ATOM 1310 O MET A 82 0.003 14.824 -12.236 1.00 73.44 O ATOM 1311 CB MET A 82 3.259 15.806 -11.800 1.00 44.54 C ATOM 1312 CG MET A 82 4.566 15.546 -11.063 1.00 64.24 C ATOM 1313 SD MET A 82 5.642 16.996 -11.036 1.00 71.42 S ATOM 1314 CE MET A 82 7.029 16.374 -10.086 1.00 14.44 C ATOM 0 H MET A 82 3.963 13.892 -13.212 1.00 54.33 H new ATOM 0 HA MET A 82 2.095 14.156 -11.020 1.00 54.00 H new ATOM 0 HB2 MET A 82 3.483 16.232 -12.778 1.00 44.54 H new ATOM 0 HB3 MET A 82 2.686 16.553 -11.251 1.00 44.54 H new ATOM 0 HG2 MET A 82 4.348 15.240 -10.040 1.00 64.24 H new ATOM 0 HG3 MET A 82 5.090 14.717 -11.539 1.00 64.24 H new ATOM 0 HE1 MET A 82 7.780 17.157 -9.983 1.00 14.44 H new ATOM 0 HE2 MET A 82 6.685 16.069 -9.098 1.00 14.44 H new ATOM 0 HE3 MET A 82 7.466 15.517 -10.599 1.00 14.44 H new ATOM 1324 N MET A 83 1.303 15.368 -14.004 1.00 22.33 N ATOM 1325 CA MET A 83 0.188 15.745 -14.889 1.00 30.40 C ATOM 1326 C MET A 83 0.434 15.248 -16.330 1.00 12.41 C ATOM 1327 O MET A 83 0.864 16.052 -17.189 1.00 35.21 O ATOM 1328 CB MET A 83 -0.015 17.274 -14.873 1.00 23.10 C ATOM 1329 CG MET A 83 -0.461 17.825 -13.526 1.00 41.14 C ATOM 1330 SD MET A 83 -0.633 19.621 -13.536 1.00 20.51 S ATOM 1331 CE MET A 83 -1.210 19.920 -11.865 1.00 63.35 C ATOM 1332 OXT MET A 83 0.212 14.045 -16.591 1.00 35.21 O ATOM 0 H MET A 83 2.224 15.481 -14.428 1.00 22.33 H new ATOM 0 HA MET A 83 -0.719 15.268 -14.517 1.00 30.40 H new ATOM 0 HB2 MET A 83 0.919 17.757 -15.161 1.00 23.10 H new ATOM 0 HB3 MET A 83 -0.757 17.540 -15.626 1.00 23.10 H new ATOM 0 HG2 MET A 83 -1.414 17.374 -13.250 1.00 41.14 H new ATOM 0 HG3 MET A 83 0.261 17.537 -12.762 1.00 41.14 H new ATOM 0 HE1 MET A 83 -1.362 20.989 -11.719 1.00 63.35 H new ATOM 0 HE2 MET A 83 -2.151 19.394 -11.706 1.00 63.35 H new ATOM 0 HE3 MET A 83 -0.468 19.559 -11.154 1.00 63.35 H new TER 1342 MET A 83