USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 982 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 118:sc= 1.16 USER MOD Set 1.2: A 77 TYR OH : rot -15:sc= 1.01 USER MOD Set 2.1: A 71 SER OG : rot -110:sc= 1.01 USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= 0.869 USER MOD Set 3.1: A 62 TYR OH : rot 165:sc= -2.5! USER MOD Set 3.2: A 79 HIS : no HD1:sc= 0.482 K(o=-2,f=-6.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.136 (180deg=-0.144) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0747) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0926 F(o=-0.98,f=-0.093) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 18 THR OG1 : rot 78:sc= 1.19 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= 1.15 (180deg=1.13) USER MOD Single : A 24 HIS : no HE2:sc= 0.691 K(o=0.69,f=-3.4!) USER MOD Single : A 27 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.33) USER MOD Single : A 28 SER OG : rot -51:sc= 0.303 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 79:sc= 1.12 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0325 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -160:sc= 1.25 (180deg=1.2) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 59 GLN : amide:sc= 0.0437 X(o=0.044,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 141:sc= -2.14 (180deg=-4.84!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.735 K(o=0.73,f=-4.4!) USER MOD Single : A 86 MET CE :methyl -169:sc= -0.652 (180deg=-0.969) USER MOD Single : A 87 SER OG : rot 144:sc= 0.899 USER MOD Single : A 88 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.16) USER MOD Single : A 92 SER OG : rot 99:sc= 1.26 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 98 ASN : amide:sc= 0.781 K(o=0.78,f=-0.25) USER MOD Single : A 100 THR OG1 : rot -140:sc= 0.0593 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS :FLIP no HE2:sc= -0.789 F(o=-2.2!,f=-0.79) USER MOD Single : A 112 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HE2:sc= 0.382 K(o=0.38,f=-5.5!) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HE2:sc=-0.00879 K(o=-0.0088,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.984 28.730 -3.352 1.00 0.00 N ATOM 2 CA MET A 1 -8.509 27.362 -3.574 1.00 0.00 C ATOM 3 C MET A 1 -7.403 26.432 -4.080 1.00 0.00 C ATOM 4 O MET A 1 -7.645 25.264 -4.381 1.00 0.00 O ATOM 5 CB MET A 1 -9.665 27.417 -4.582 1.00 0.00 C ATOM 6 CG MET A 1 -10.412 26.101 -4.755 1.00 0.00 C ATOM 7 SD MET A 1 -11.169 25.520 -3.225 1.00 0.00 S ATOM 8 CE MET A 1 -11.879 23.970 -3.772 1.00 0.00 C ATOM 0 H1 MET A 1 -8.757 29.352 -3.042 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.246 28.704 -2.620 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.580 29.095 -4.238 1.00 0.00 H new ATOM 0 HA MET A 1 -8.875 26.965 -2.627 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.372 28.183 -4.264 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.272 27.728 -5.550 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.185 26.224 -5.513 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.722 25.343 -5.124 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.385 23.487 -2.936 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.597 24.160 -4.570 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.088 23.318 -4.143 1.00 0.00 H new ATOM 20 N ILE A 2 -6.180 26.939 -4.161 1.00 0.00 N ATOM 21 CA ILE A 2 -5.076 26.151 -4.689 1.00 0.00 C ATOM 22 C ILE A 2 -4.110 25.740 -3.581 1.00 0.00 C ATOM 23 O ILE A 2 -3.373 26.568 -3.042 1.00 0.00 O ATOM 24 CB ILE A 2 -4.299 26.918 -5.783 1.00 0.00 C ATOM 25 CG1 ILE A 2 -5.243 27.339 -6.914 1.00 0.00 C ATOM 26 CG2 ILE A 2 -3.164 26.061 -6.330 1.00 0.00 C ATOM 27 CD1 ILE A 2 -4.578 28.187 -7.978 1.00 0.00 C ATOM 0 H ILE A 2 -5.929 27.884 -3.870 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.515 25.257 -5.132 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.871 27.816 -5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -5.658 26.446 -7.381 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.079 27.894 -6.490 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.627 26.616 -7.099 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.479 25.806 -5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.573 25.147 -6.761 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -5.308 28.446 -8.745 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.188 29.098 -7.525 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.759 27.627 -8.430 1.00 0.00 H new ATOM 39 N GLU A 3 -4.136 24.460 -3.232 1.00 0.00 N ATOM 40 CA GLU A 3 -3.178 23.906 -2.291 1.00 0.00 C ATOM 41 C GLU A 3 -1.975 23.369 -3.063 1.00 0.00 C ATOM 42 O GLU A 3 -2.107 22.420 -3.839 1.00 0.00 O ATOM 43 CB GLU A 3 -3.830 22.792 -1.460 1.00 0.00 C ATOM 44 CG GLU A 3 -2.919 22.202 -0.392 1.00 0.00 C ATOM 45 CD GLU A 3 -2.422 23.239 0.593 1.00 0.00 C ATOM 46 OE1 GLU A 3 -3.256 23.916 1.228 1.00 0.00 O ATOM 47 OE2 GLU A 3 -1.190 23.389 0.732 1.00 0.00 O ATOM 0 H GLU A 3 -4.813 23.786 -3.589 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.846 24.686 -1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.726 23.187 -0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.152 21.994 -2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.457 21.423 0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.065 21.725 -0.873 1.00 0.00 H new ATOM 54 N PRO A 4 -0.796 23.990 -2.883 1.00 0.00 N ATOM 55 CA PRO A 4 0.421 23.637 -3.623 1.00 0.00 C ATOM 56 C PRO A 4 1.028 22.305 -3.182 1.00 0.00 C ATOM 57 O PRO A 4 2.120 22.268 -2.609 1.00 0.00 O ATOM 58 CB PRO A 4 1.389 24.794 -3.317 1.00 0.00 C ATOM 59 CG PRO A 4 0.581 25.828 -2.600 1.00 0.00 C ATOM 60 CD PRO A 4 -0.549 25.093 -1.945 1.00 0.00 C ATOM 0 HA PRO A 4 0.211 23.508 -4.685 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.222 24.454 -2.702 1.00 0.00 H new ATOM 0 HB3 PRO A 4 1.815 25.199 -4.235 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.186 26.351 -1.860 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.206 26.580 -3.294 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.277 24.730 -0.954 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.428 25.726 -1.822 1.00 0.00 H new ATOM 68 N SER A 5 0.302 21.224 -3.434 1.00 0.00 N ATOM 69 CA SER A 5 0.785 19.875 -3.180 1.00 0.00 C ATOM 70 C SER A 5 -0.199 18.872 -3.774 1.00 0.00 C ATOM 71 O SER A 5 -1.412 19.088 -3.734 1.00 0.00 O ATOM 72 CB SER A 5 0.956 19.626 -1.677 1.00 0.00 C ATOM 73 OG SER A 5 1.674 18.426 -1.435 1.00 0.00 O ATOM 0 H SER A 5 -0.641 21.259 -3.821 1.00 0.00 H new ATOM 0 HA SER A 5 1.761 19.754 -3.650 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.483 20.466 -1.224 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.023 19.570 -1.201 1.00 0.00 H new ATOM 0 HG SER A 5 1.771 18.292 -0.469 1.00 0.00 H new ATOM 79 N LYS A 6 0.321 17.789 -4.337 1.00 0.00 N ATOM 80 CA LYS A 6 -0.521 16.784 -4.974 1.00 0.00 C ATOM 81 C LYS A 6 -0.655 15.542 -4.099 1.00 0.00 C ATOM 82 O LYS A 6 -1.404 14.630 -4.439 1.00 0.00 O ATOM 83 CB LYS A 6 0.041 16.419 -6.347 1.00 0.00 C ATOM 84 CG LYS A 6 -0.102 17.537 -7.368 1.00 0.00 C ATOM 85 CD LYS A 6 -1.566 17.826 -7.675 1.00 0.00 C ATOM 86 CE LYS A 6 -1.739 19.083 -8.515 1.00 0.00 C ATOM 87 NZ LYS A 6 -0.931 19.044 -9.761 1.00 0.00 N ATOM 0 H LYS A 6 1.320 17.584 -4.366 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.517 17.207 -5.104 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.095 16.162 -6.244 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.470 15.530 -6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.377 18.440 -6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.416 17.261 -8.286 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.000 16.976 -8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.117 17.937 -6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.792 19.204 -8.771 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.452 19.954 -7.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.218 19.824 -10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.077 19.143 -9.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.085 18.137 -10.247 1.00 0.00 H new ATOM 101 N ILE A 7 0.070 15.553 -2.973 1.00 0.00 N ATOM 102 CA ILE A 7 0.051 14.493 -1.945 1.00 0.00 C ATOM 103 C ILE A 7 0.081 13.064 -2.509 1.00 0.00 C ATOM 104 O ILE A 7 -0.923 12.525 -2.968 1.00 0.00 O ATOM 105 CB ILE A 7 -1.128 14.645 -0.940 1.00 0.00 C ATOM 106 CG1 ILE A 7 -2.497 14.627 -1.637 1.00 0.00 C ATOM 107 CG2 ILE A 7 -0.959 15.927 -0.138 1.00 0.00 C ATOM 108 CD1 ILE A 7 -3.672 14.672 -0.681 1.00 0.00 C ATOM 0 H ILE A 7 0.704 16.318 -2.742 1.00 0.00 H new ATOM 0 HA ILE A 7 0.987 14.641 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.101 13.786 -0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.560 15.478 -2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.572 13.727 -2.247 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.787 16.029 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.019 15.891 0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.950 16.781 -0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.603 14.656 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.636 13.807 -0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.624 15.585 -0.088 1.00 0.00 H new ATOM 120 N THR A 8 1.253 12.446 -2.450 1.00 0.00 N ATOM 121 CA THR A 8 1.400 11.056 -2.846 1.00 0.00 C ATOM 122 C THR A 8 0.890 10.128 -1.738 1.00 0.00 C ATOM 123 O THR A 8 0.384 10.603 -0.717 1.00 0.00 O ATOM 124 CB THR A 8 2.873 10.736 -3.170 1.00 0.00 C ATOM 125 OG1 THR A 8 3.721 11.178 -2.102 1.00 0.00 O ATOM 126 CG2 THR A 8 3.302 11.401 -4.469 1.00 0.00 C ATOM 0 H THR A 8 2.115 12.888 -2.131 1.00 0.00 H new ATOM 0 HA THR A 8 0.804 10.892 -3.744 1.00 0.00 H new ATOM 0 HB THR A 8 2.966 9.656 -3.285 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.654 10.969 -2.317 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.345 11.159 -4.674 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.678 11.039 -5.286 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.191 12.482 -4.379 1.00 0.00 H new ATOM 134 N VAL A 9 1.033 8.815 -1.935 1.00 0.00 N ATOM 135 CA VAL A 9 0.545 7.822 -0.971 1.00 0.00 C ATOM 136 C VAL A 9 1.011 8.141 0.451 1.00 0.00 C ATOM 137 O VAL A 9 0.211 8.166 1.388 1.00 0.00 O ATOM 138 CB VAL A 9 1.023 6.400 -1.336 1.00 0.00 C ATOM 139 CG1 VAL A 9 0.489 5.376 -0.342 1.00 0.00 C ATOM 140 CG2 VAL A 9 0.602 6.038 -2.751 1.00 0.00 C ATOM 0 H VAL A 9 1.484 8.412 -2.756 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.543 7.863 -1.012 1.00 0.00 H new ATOM 0 HB VAL A 9 2.112 6.387 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.839 4.382 -0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.846 5.620 0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.601 5.393 -0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.949 5.032 -2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.485 6.075 -2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.039 6.747 -3.453 1.00 0.00 H new ATOM 150 N GLU A 10 2.306 8.406 0.590 1.00 0.00 N ATOM 151 CA GLU A 10 2.913 8.665 1.891 1.00 0.00 C ATOM 152 C GLU A 10 2.263 9.867 2.584 1.00 0.00 C ATOM 153 O GLU A 10 1.965 9.824 3.780 1.00 0.00 O ATOM 154 CB GLU A 10 4.421 8.894 1.719 1.00 0.00 C ATOM 155 CG GLU A 10 4.757 10.049 0.790 1.00 0.00 C ATOM 156 CD GLU A 10 6.239 10.182 0.510 1.00 0.00 C ATOM 157 OE1 GLU A 10 7.031 10.226 1.473 1.00 0.00 O ATOM 158 OE2 GLU A 10 6.610 10.277 -0.676 1.00 0.00 O ATOM 0 H GLU A 10 2.961 8.447 -0.191 1.00 0.00 H new ATOM 0 HA GLU A 10 2.749 7.794 2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.865 9.083 2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.877 7.983 1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.227 9.914 -0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.393 10.977 1.230 1.00 0.00 H new ATOM 165 N GLN A 11 2.016 10.926 1.823 1.00 0.00 N ATOM 166 CA GLN A 11 1.480 12.158 2.385 1.00 0.00 C ATOM 167 C GLN A 11 -0.010 12.026 2.663 1.00 0.00 C ATOM 168 O GLN A 11 -0.511 12.560 3.654 1.00 0.00 O ATOM 169 CB GLN A 11 1.739 13.339 1.448 1.00 0.00 C ATOM 170 CG GLN A 11 3.212 13.574 1.152 1.00 0.00 C ATOM 171 CD GLN A 11 4.047 13.819 2.400 1.00 0.00 C ATOM 172 OE1 GLN A 11 3.453 14.428 3.417 1.00 0.00 O flip ATOM 173 NE2 GLN A 11 5.224 13.469 2.442 1.00 0.00 N flip ATOM 0 H GLN A 11 2.178 10.956 0.816 1.00 0.00 H new ATOM 0 HA GLN A 11 1.992 12.344 3.329 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.212 13.169 0.509 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.318 14.242 1.891 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.611 12.710 0.621 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.309 14.431 0.485 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.646 13.003 1.639 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.779 13.645 3.280 1.00 0.00 H new ATOM 182 N TRP A 12 -0.713 11.311 1.791 1.00 0.00 N ATOM 183 CA TRP A 12 -2.144 11.111 1.964 1.00 0.00 C ATOM 184 C TRP A 12 -2.422 10.325 3.238 1.00 0.00 C ATOM 185 O TRP A 12 -3.224 10.751 4.068 1.00 0.00 O ATOM 186 CB TRP A 12 -2.752 10.389 0.759 1.00 0.00 C ATOM 187 CG TRP A 12 -4.233 10.187 0.894 1.00 0.00 C ATOM 188 CD1 TRP A 12 -5.202 11.139 0.759 1.00 0.00 C ATOM 189 CD2 TRP A 12 -4.914 8.960 1.194 1.00 0.00 C ATOM 190 NE1 TRP A 12 -6.439 10.584 0.967 1.00 0.00 N ATOM 191 CE2 TRP A 12 -6.290 9.248 1.231 1.00 0.00 C ATOM 192 CE3 TRP A 12 -4.495 7.648 1.432 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -7.248 8.276 1.502 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -5.449 6.682 1.701 1.00 0.00 C ATOM 195 CH2 TRP A 12 -6.811 7.001 1.732 1.00 0.00 C ATOM 0 H TRP A 12 -0.317 10.864 0.964 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.610 12.093 2.044 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -2.548 10.963 -0.145 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.267 9.421 0.637 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.021 12.177 0.523 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -7.327 11.085 0.931 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -3.446 7.393 1.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -8.300 8.520 1.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -5.137 5.665 1.890 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -7.532 6.224 1.942 1.00 0.00 H new ATOM 206 N LEU A 13 -1.742 9.189 3.394 1.00 0.00 N ATOM 207 CA LEU A 13 -1.909 8.347 4.577 1.00 0.00 C ATOM 208 C LEU A 13 -1.663 9.154 5.845 1.00 0.00 C ATOM 209 O LEU A 13 -2.479 9.151 6.764 1.00 0.00 O ATOM 210 CB LEU A 13 -0.942 7.157 4.538 1.00 0.00 C ATOM 211 CG LEU A 13 -1.165 6.152 3.405 1.00 0.00 C ATOM 212 CD1 LEU A 13 -0.069 5.098 3.410 1.00 0.00 C ATOM 213 CD2 LEU A 13 -2.532 5.494 3.530 1.00 0.00 C ATOM 0 H LEU A 13 -1.070 8.831 2.715 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.933 7.974 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.075 7.542 4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.011 6.626 5.488 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.129 6.690 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.241 4.390 2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.899 5.579 3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.079 4.568 4.362 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.670 4.784 2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.598 4.970 4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.309 6.257 3.481 1.00 0.00 H new ATOM 225 N ASN A 14 -0.542 9.866 5.868 1.00 0.00 N ATOM 226 CA ASN A 14 -0.147 10.655 7.033 1.00 0.00 C ATOM 227 C ASN A 14 -1.228 11.665 7.422 1.00 0.00 C ATOM 228 O ASN A 14 -1.620 11.748 8.590 1.00 0.00 O ATOM 229 CB ASN A 14 1.171 11.375 6.747 1.00 0.00 C ATOM 230 CG ASN A 14 1.616 12.288 7.879 1.00 0.00 C ATOM 231 OD1 ASN A 14 1.385 12.012 9.057 1.00 0.00 O ATOM 232 ND2 ASN A 14 2.264 13.387 7.524 1.00 0.00 N ATOM 0 H ASN A 14 0.114 9.914 5.089 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.015 9.974 7.874 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.948 10.634 6.560 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.065 11.963 5.835 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.591 14.039 8.237 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.436 13.581 6.538 1.00 0.00 H new ATOM 239 N ARG A 15 -1.721 12.422 6.447 1.00 0.00 N ATOM 240 CA ARG A 15 -2.730 13.435 6.727 1.00 0.00 C ATOM 241 C ARG A 15 -4.061 12.787 7.086 1.00 0.00 C ATOM 242 O ARG A 15 -4.661 13.123 8.103 1.00 0.00 O ATOM 243 CB ARG A 15 -2.928 14.379 5.536 1.00 0.00 C ATOM 244 CG ARG A 15 -3.734 15.621 5.893 1.00 0.00 C ATOM 245 CD ARG A 15 -4.156 16.407 4.662 1.00 0.00 C ATOM 246 NE ARG A 15 -4.622 17.751 5.006 1.00 0.00 N ATOM 247 CZ ARG A 15 -5.874 18.188 4.849 1.00 0.00 C ATOM 248 NH1 ARG A 15 -6.831 17.365 4.436 1.00 0.00 N ATOM 249 NH2 ARG A 15 -6.171 19.450 5.136 1.00 0.00 N ATOM 0 H ARG A 15 -1.442 12.355 5.468 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.371 14.018 7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.954 14.682 5.153 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.433 13.842 4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.620 15.327 6.456 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.140 16.262 6.545 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.315 16.480 3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.949 15.870 4.142 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.940 18.402 5.395 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.613 16.389 4.236 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.784 17.709 4.319 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.444 20.081 5.475 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.126 19.789 5.018 1.00 0.00 H new ATOM 263 N TRP A 16 -4.503 11.844 6.259 1.00 0.00 N ATOM 264 CA TRP A 16 -5.815 11.222 6.419 1.00 0.00 C ATOM 265 C TRP A 16 -5.946 10.560 7.787 1.00 0.00 C ATOM 266 O TRP A 16 -6.939 10.756 8.487 1.00 0.00 O ATOM 267 CB TRP A 16 -6.039 10.186 5.314 1.00 0.00 C ATOM 268 CG TRP A 16 -7.475 9.802 5.134 1.00 0.00 C ATOM 269 CD1 TRP A 16 -8.120 8.732 5.685 1.00 0.00 C ATOM 270 CD2 TRP A 16 -8.447 10.492 4.340 1.00 0.00 C ATOM 271 NE1 TRP A 16 -9.435 8.719 5.284 1.00 0.00 N ATOM 272 CE2 TRP A 16 -9.658 9.787 4.458 1.00 0.00 C ATOM 273 CE3 TRP A 16 -8.411 11.640 3.541 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -10.820 10.191 3.808 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -9.567 12.038 2.896 1.00 0.00 C ATOM 276 CH2 TRP A 16 -10.756 11.315 3.034 1.00 0.00 C ATOM 0 H TRP A 16 -3.968 11.491 5.466 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.573 12.002 6.344 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.657 10.582 4.373 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.459 9.292 5.543 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.664 8.003 6.339 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.131 8.026 5.558 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -7.497 12.205 3.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -11.740 9.635 3.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -9.552 12.922 2.275 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -11.643 11.652 2.518 1.00 0.00 H new ATOM 287 N LEU A 17 -4.927 9.794 8.164 1.00 0.00 N ATOM 288 CA LEU A 17 -4.902 9.113 9.454 1.00 0.00 C ATOM 289 C LEU A 17 -5.040 10.110 10.600 1.00 0.00 C ATOM 290 O LEU A 17 -5.848 9.924 11.506 1.00 0.00 O ATOM 291 CB LEU A 17 -3.594 8.325 9.610 1.00 0.00 C ATOM 292 CG LEU A 17 -3.603 6.877 9.100 1.00 0.00 C ATOM 293 CD1 LEU A 17 -4.198 6.777 7.702 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.186 6.319 9.111 1.00 0.00 C ATOM 0 H LEU A 17 -4.101 9.629 7.589 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.746 8.425 9.489 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.805 8.866 9.088 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.327 8.313 10.667 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.232 6.288 9.767 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.187 5.737 7.375 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.225 7.142 7.717 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.608 7.380 7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.197 5.291 8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.551 6.925 8.465 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.794 6.341 10.128 1.00 0.00 H new ATOM 306 N THR A 18 -4.266 11.181 10.534 1.00 0.00 N ATOM 307 CA THR A 18 -4.228 12.163 11.606 1.00 0.00 C ATOM 308 C THR A 18 -5.482 13.039 11.604 1.00 0.00 C ATOM 309 O THR A 18 -5.916 13.523 12.650 1.00 0.00 O ATOM 310 CB THR A 18 -2.973 13.048 11.477 1.00 0.00 C ATOM 311 OG1 THR A 18 -1.816 12.218 11.275 1.00 0.00 O ATOM 312 CG2 THR A 18 -2.771 13.902 12.721 1.00 0.00 C ATOM 0 H THR A 18 -3.653 11.393 9.747 1.00 0.00 H new ATOM 0 HA THR A 18 -4.192 11.621 12.551 1.00 0.00 H new ATOM 0 HB THR A 18 -3.111 13.711 10.623 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.785 11.921 10.342 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.878 14.515 12.600 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.638 14.547 12.864 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.652 13.256 13.591 1.00 0.00 H new ATOM 320 N ASP A 19 -6.074 13.225 10.434 1.00 0.00 N ATOM 321 CA ASP A 19 -7.228 14.107 10.292 1.00 0.00 C ATOM 322 C ASP A 19 -8.517 13.401 10.708 1.00 0.00 C ATOM 323 O ASP A 19 -9.337 13.962 11.438 1.00 0.00 O ATOM 324 CB ASP A 19 -7.342 14.600 8.846 1.00 0.00 C ATOM 325 CG ASP A 19 -8.316 15.752 8.693 1.00 0.00 C ATOM 326 OD1 ASP A 19 -7.896 16.917 8.868 1.00 0.00 O ATOM 327 OD2 ASP A 19 -9.501 15.502 8.396 1.00 0.00 O ATOM 0 H ASP A 19 -5.776 12.778 9.567 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.081 14.962 10.952 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.359 14.913 8.495 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.660 13.774 8.209 1.00 0.00 H new ATOM 332 N TYR A 20 -8.680 12.158 10.269 1.00 0.00 N ATOM 333 CA TYR A 20 -9.914 11.413 10.509 1.00 0.00 C ATOM 334 C TYR A 20 -9.876 10.620 11.813 1.00 0.00 C ATOM 335 O TYR A 20 -10.860 9.967 12.169 1.00 0.00 O ATOM 336 CB TYR A 20 -10.212 10.479 9.333 1.00 0.00 C ATOM 337 CG TYR A 20 -11.049 11.120 8.251 1.00 0.00 C ATOM 338 CD1 TYR A 20 -10.597 12.238 7.560 1.00 0.00 C ATOM 339 CD2 TYR A 20 -12.302 10.614 7.932 1.00 0.00 C ATOM 340 CE1 TYR A 20 -11.370 12.830 6.581 1.00 0.00 C ATOM 341 CE2 TYR A 20 -13.081 11.200 6.955 1.00 0.00 C ATOM 342 CZ TYR A 20 -12.612 12.307 6.283 1.00 0.00 C ATOM 343 OH TYR A 20 -13.391 12.897 5.312 1.00 0.00 O ATOM 0 H TYR A 20 -7.973 11.643 9.744 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.714 12.148 10.602 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.270 10.141 8.900 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.728 9.594 9.704 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -9.626 12.650 7.792 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.674 9.747 8.458 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -11.005 13.697 6.051 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.053 10.793 6.719 1.00 0.00 H new ATOM 0 HH TYR A 20 -14.234 12.405 5.225 1.00 0.00 H new ATOM 353 N ALA A 21 -8.748 10.661 12.517 1.00 0.00 N ATOM 354 CA ALA A 21 -8.643 9.988 13.806 1.00 0.00 C ATOM 355 C ALA A 21 -9.528 10.667 14.849 1.00 0.00 C ATOM 356 O ALA A 21 -10.580 10.138 15.215 1.00 0.00 O ATOM 357 CB ALA A 21 -7.197 9.952 14.280 1.00 0.00 C ATOM 0 H ALA A 21 -7.902 11.148 12.220 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.990 8.963 13.678 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.142 9.445 15.244 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.589 9.414 13.552 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.823 10.970 14.384 1.00 0.00 H new ATOM 363 N LYS A 22 -9.095 11.845 15.299 1.00 0.00 N ATOM 364 CA LYS A 22 -9.807 12.623 16.310 1.00 0.00 C ATOM 365 C LYS A 22 -9.947 11.840 17.616 1.00 0.00 C ATOM 366 O LYS A 22 -10.895 11.074 17.804 1.00 0.00 O ATOM 367 CB LYS A 22 -11.177 13.077 15.798 1.00 0.00 C ATOM 368 CG LYS A 22 -11.094 14.055 14.640 1.00 0.00 C ATOM 369 CD LYS A 22 -12.469 14.542 14.219 1.00 0.00 C ATOM 370 CE LYS A 22 -12.383 15.607 13.138 1.00 0.00 C ATOM 371 NZ LYS A 22 -11.836 15.074 11.860 1.00 0.00 N ATOM 0 H LYS A 22 -8.237 12.287 14.970 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.213 13.514 16.515 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.748 12.203 15.485 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.727 13.541 16.617 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.478 14.907 14.926 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.602 13.576 13.793 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.057 13.700 13.854 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.993 14.945 15.086 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.375 16.022 12.961 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.753 16.425 13.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.844 15.824 11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.860 14.748 12.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.422 14.277 11.537 1.00 0.00 H new ATOM 385 N PRO A 23 -8.987 12.031 18.534 1.00 0.00 N ATOM 386 CA PRO A 23 -8.938 11.314 19.811 1.00 0.00 C ATOM 387 C PRO A 23 -10.208 11.503 20.635 1.00 0.00 C ATOM 388 O PRO A 23 -10.598 12.628 20.952 1.00 0.00 O ATOM 389 CB PRO A 23 -7.731 11.930 20.534 1.00 0.00 C ATOM 390 CG PRO A 23 -7.446 13.203 19.815 1.00 0.00 C ATOM 391 CD PRO A 23 -7.872 12.977 18.396 1.00 0.00 C ATOM 0 HA PRO A 23 -8.853 10.237 19.663 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.955 12.114 21.585 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.871 11.261 20.503 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.994 14.034 20.260 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.387 13.454 19.870 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.186 13.904 17.916 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -7.064 12.563 17.793 1.00 0.00 H new ATOM 399 N HIS A 24 -10.851 10.391 20.969 1.00 0.00 N ATOM 400 CA HIS A 24 -12.090 10.411 21.744 1.00 0.00 C ATOM 401 C HIS A 24 -12.167 9.189 22.649 1.00 0.00 C ATOM 402 O HIS A 24 -12.228 9.312 23.871 1.00 0.00 O ATOM 403 CB HIS A 24 -13.319 10.450 20.825 1.00 0.00 C ATOM 404 CG HIS A 24 -13.581 11.785 20.195 1.00 0.00 C ATOM 405 ND1 HIS A 24 -13.126 12.131 18.942 1.00 0.00 N ATOM 406 CD2 HIS A 24 -14.274 12.858 20.648 1.00 0.00 C ATOM 407 CE1 HIS A 24 -13.526 13.352 18.651 1.00 0.00 C ATOM 408 NE2 HIS A 24 -14.224 13.817 19.667 1.00 0.00 N ATOM 0 H HIS A 24 -10.533 9.456 20.714 1.00 0.00 H new ATOM 0 HA HIS A 24 -12.086 11.314 22.354 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.191 9.709 20.036 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -14.197 10.155 21.400 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -12.566 11.534 18.333 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.772 12.943 21.602 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.317 13.883 17.734 1.00 0.00 H new ATOM 417 N LEU A 25 -12.160 8.008 22.044 1.00 0.00 N ATOM 418 CA LEU A 25 -12.203 6.762 22.799 1.00 0.00 C ATOM 419 C LEU A 25 -10.800 6.365 23.234 1.00 0.00 C ATOM 420 O LEU A 25 -9.814 6.898 22.725 1.00 0.00 O ATOM 421 CB LEU A 25 -12.833 5.632 21.970 1.00 0.00 C ATOM 422 CG LEU A 25 -14.353 5.715 21.766 1.00 0.00 C ATOM 423 CD1 LEU A 25 -14.730 6.860 20.840 1.00 0.00 C ATOM 424 CD2 LEU A 25 -14.886 4.402 21.221 1.00 0.00 C ATOM 0 H LEU A 25 -12.125 7.887 21.032 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.822 6.924 23.681 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.355 5.617 20.991 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -12.602 4.682 22.452 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.807 5.908 22.738 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -15.813 6.888 20.719 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -14.388 7.802 21.268 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -14.260 6.712 19.868 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.964 4.477 21.082 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.411 4.186 20.264 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.666 3.600 21.925 1.00 0.00 H new ATOM 436 N ARG A 26 -10.710 5.443 24.180 1.00 0.00 N ATOM 437 CA ARG A 26 -9.417 4.990 24.671 1.00 0.00 C ATOM 438 C ARG A 26 -8.731 4.068 23.664 1.00 0.00 C ATOM 439 O ARG A 26 -9.334 3.653 22.671 1.00 0.00 O ATOM 440 CB ARG A 26 -9.564 4.298 26.025 1.00 0.00 C ATOM 441 CG ARG A 26 -9.928 5.258 27.147 1.00 0.00 C ATOM 442 CD ARG A 26 -9.864 4.584 28.507 1.00 0.00 C ATOM 443 NE ARG A 26 -10.903 3.573 28.679 1.00 0.00 N ATOM 444 CZ ARG A 26 -10.673 2.327 29.089 1.00 0.00 C ATOM 445 NH1 ARG A 26 -9.426 1.900 29.263 1.00 0.00 N ATOM 446 NH2 ARG A 26 -11.693 1.504 29.296 1.00 0.00 N ATOM 0 H ARG A 26 -11.513 4.995 24.622 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.785 5.869 24.801 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.331 3.527 25.951 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.629 3.795 26.273 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.249 6.110 27.131 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.932 5.648 26.981 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.886 4.120 28.633 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.963 5.338 29.288 1.00 0.00 H new ATOM 0 HE ARG A 26 -11.866 3.838 28.472 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.642 2.527 29.082 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.253 0.945 29.577 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.648 1.827 29.141 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.522 0.549 29.610 1.00 0.00 H new ATOM 460 N GLN A 27 -7.472 3.746 23.948 1.00 0.00 N ATOM 461 CA GLN A 27 -6.608 3.030 23.011 1.00 0.00 C ATOM 462 C GLN A 27 -7.235 1.742 22.481 1.00 0.00 C ATOM 463 O GLN A 27 -7.685 0.884 23.245 1.00 0.00 O ATOM 464 CB GLN A 27 -5.263 2.723 23.668 1.00 0.00 C ATOM 465 CG GLN A 27 -4.453 3.969 23.991 1.00 0.00 C ATOM 466 CD GLN A 27 -4.139 4.793 22.757 1.00 0.00 C ATOM 467 OE1 GLN A 27 -4.899 5.688 22.380 1.00 0.00 O ATOM 468 NE2 GLN A 27 -3.017 4.497 22.120 1.00 0.00 N ATOM 0 H GLN A 27 -7.021 3.974 24.834 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.464 3.687 22.153 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.435 2.162 24.586 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.681 2.081 23.006 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.005 4.583 24.703 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.521 3.677 24.476 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.416 3.749 22.466 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.753 5.017 21.283 1.00 0.00 H new ATOM 477 N SER A 28 -7.264 1.637 21.160 1.00 0.00 N ATOM 478 CA SER A 28 -7.772 0.462 20.471 1.00 0.00 C ATOM 479 C SER A 28 -6.995 0.283 19.164 1.00 0.00 C ATOM 480 O SER A 28 -7.539 -0.134 18.140 1.00 0.00 O ATOM 481 CB SER A 28 -9.275 0.632 20.201 1.00 0.00 C ATOM 482 OG SER A 28 -9.857 -0.558 19.689 1.00 0.00 O ATOM 0 H SER A 28 -6.933 2.370 20.533 1.00 0.00 H new ATOM 0 HA SER A 28 -7.638 -0.427 21.087 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.780 0.916 21.124 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.427 1.445 19.492 1.00 0.00 H new ATOM 0 HG SER A 28 -9.326 -0.882 18.932 1.00 0.00 H new ATOM 488 N THR A 29 -5.705 0.587 19.216 1.00 0.00 N ATOM 489 CA THR A 29 -4.863 0.577 18.030 1.00 0.00 C ATOM 490 C THR A 29 -4.100 -0.738 17.900 1.00 0.00 C ATOM 491 O THR A 29 -3.727 -1.360 18.898 1.00 0.00 O ATOM 492 CB THR A 29 -3.864 1.761 18.047 1.00 0.00 C ATOM 493 OG1 THR A 29 -3.001 1.713 16.901 1.00 0.00 O ATOM 494 CG2 THR A 29 -3.021 1.759 19.316 1.00 0.00 C ATOM 0 H THR A 29 -5.217 0.845 20.074 1.00 0.00 H new ATOM 0 HA THR A 29 -5.521 0.682 17.168 1.00 0.00 H new ATOM 0 HB THR A 29 -4.450 2.680 18.020 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.378 2.469 16.928 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.331 2.602 19.296 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.672 1.844 20.186 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.456 0.829 19.376 1.00 0.00 H new ATOM 502 N TRP A 30 -3.904 -1.171 16.662 1.00 0.00 N ATOM 503 CA TRP A 30 -3.088 -2.339 16.382 1.00 0.00 C ATOM 504 C TRP A 30 -1.738 -1.870 15.847 1.00 0.00 C ATOM 505 O TRP A 30 -0.702 -2.473 16.126 1.00 0.00 O ATOM 506 CB TRP A 30 -3.801 -3.253 15.377 1.00 0.00 C ATOM 507 CG TRP A 30 -3.248 -4.649 15.326 1.00 0.00 C ATOM 508 CD1 TRP A 30 -2.469 -5.260 16.267 1.00 0.00 C ATOM 509 CD2 TRP A 30 -3.452 -5.615 14.287 1.00 0.00 C ATOM 510 NE1 TRP A 30 -2.165 -6.541 15.870 1.00 0.00 N ATOM 511 CE2 TRP A 30 -2.756 -6.784 14.658 1.00 0.00 C ATOM 512 CE3 TRP A 30 -4.148 -5.605 13.077 1.00 0.00 C ATOM 513 CZ2 TRP A 30 -2.741 -7.926 13.859 1.00 0.00 C ATOM 514 CZ3 TRP A 30 -4.134 -6.738 12.288 1.00 0.00 C ATOM 515 CH2 TRP A 30 -3.435 -7.885 12.681 1.00 0.00 C ATOM 0 H TRP A 30 -4.302 -0.727 15.834 1.00 0.00 H new ATOM 0 HA TRP A 30 -2.929 -2.917 17.292 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -4.860 -3.301 15.632 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.732 -2.809 14.384 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -2.140 -4.803 17.189 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.592 -7.203 16.393 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -4.689 -4.725 12.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -2.201 -8.812 14.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -4.672 -6.739 11.351 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.444 -8.755 12.041 1.00 0.00 H new ATOM 526 N GLU A 31 -1.777 -0.778 15.071 1.00 0.00 N ATOM 527 CA GLU A 31 -0.577 -0.050 14.637 1.00 0.00 C ATOM 528 C GLU A 31 0.250 -0.831 13.606 1.00 0.00 C ATOM 529 O GLU A 31 1.167 -0.283 12.982 1.00 0.00 O ATOM 530 CB GLU A 31 0.263 0.325 15.863 1.00 0.00 C ATOM 531 CG GLU A 31 1.360 1.333 15.582 1.00 0.00 C ATOM 532 CD GLU A 31 1.846 2.010 16.842 1.00 0.00 C ATOM 533 OE1 GLU A 31 2.673 1.417 17.562 1.00 0.00 O ATOM 534 OE2 GLU A 31 1.388 3.139 17.127 1.00 0.00 O ATOM 0 H GLU A 31 -2.647 -0.373 14.725 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.900 0.859 14.130 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.397 0.728 16.632 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.713 -0.580 16.271 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.196 0.832 15.095 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.990 2.086 14.886 1.00 0.00 H new ATOM 541 N SER A 32 -0.088 -2.092 13.403 1.00 0.00 N ATOM 542 CA SER A 32 0.606 -2.922 12.436 1.00 0.00 C ATOM 543 C SER A 32 0.397 -2.396 11.025 1.00 0.00 C ATOM 544 O SER A 32 1.327 -2.382 10.220 1.00 0.00 O ATOM 545 CB SER A 32 0.096 -4.348 12.529 1.00 0.00 C ATOM 546 OG SER A 32 -1.314 -4.378 12.410 1.00 0.00 O ATOM 0 H SER A 32 -0.844 -2.565 13.898 1.00 0.00 H new ATOM 0 HA SER A 32 1.672 -2.898 12.661 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.546 -4.954 11.743 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.396 -4.787 13.481 1.00 0.00 H new ATOM 0 HG SER A 32 -1.564 -4.890 11.613 1.00 0.00 H new ATOM 552 N TYR A 33 -0.837 -1.964 10.750 1.00 0.00 N ATOM 553 CA TYR A 33 -1.213 -1.421 9.446 1.00 0.00 C ATOM 554 C TYR A 33 -0.201 -0.390 8.992 1.00 0.00 C ATOM 555 O TYR A 33 0.359 -0.483 7.903 1.00 0.00 O ATOM 556 CB TYR A 33 -2.580 -0.729 9.513 1.00 0.00 C ATOM 557 CG TYR A 33 -3.695 -1.544 10.127 1.00 0.00 C ATOM 558 CD1 TYR A 33 -3.786 -1.707 11.503 1.00 0.00 C ATOM 559 CD2 TYR A 33 -4.670 -2.124 9.330 1.00 0.00 C ATOM 560 CE1 TYR A 33 -4.813 -2.435 12.066 1.00 0.00 C ATOM 561 CE2 TYR A 33 -5.705 -2.849 9.885 1.00 0.00 C ATOM 562 CZ TYR A 33 -5.772 -3.002 11.256 1.00 0.00 C ATOM 563 OH TYR A 33 -6.800 -3.719 11.819 1.00 0.00 O ATOM 0 H TYR A 33 -1.601 -1.982 11.426 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.251 -2.257 8.747 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.472 0.194 10.083 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.874 -0.447 8.502 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.041 -1.257 12.142 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.619 -2.007 8.258 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.865 -2.560 13.137 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.458 -3.294 9.251 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.392 -4.052 11.112 1.00 0.00 H new ATOM 573 N GLU A 34 0.039 0.580 9.858 1.00 0.00 N ATOM 574 CA GLU A 34 0.920 1.685 9.537 1.00 0.00 C ATOM 575 C GLU A 34 2.349 1.186 9.399 1.00 0.00 C ATOM 576 O GLU A 34 3.016 1.460 8.403 1.00 0.00 O ATOM 577 CB GLU A 34 0.843 2.755 10.625 1.00 0.00 C ATOM 578 CG GLU A 34 1.541 4.049 10.258 1.00 0.00 C ATOM 579 CD GLU A 34 1.717 4.963 11.447 1.00 0.00 C ATOM 580 OE1 GLU A 34 0.719 5.563 11.900 1.00 0.00 O ATOM 581 OE2 GLU A 34 2.858 5.071 11.942 1.00 0.00 O ATOM 0 H GLU A 34 -0.367 0.623 10.793 1.00 0.00 H new ATOM 0 HA GLU A 34 0.603 2.124 8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.204 2.966 10.841 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.284 2.362 11.541 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.517 3.823 9.828 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.966 4.564 9.489 1.00 0.00 H new ATOM 588 N THR A 35 2.789 0.423 10.396 1.00 0.00 N ATOM 589 CA THR A 35 4.151 -0.089 10.447 1.00 0.00 C ATOM 590 C THR A 35 4.540 -0.817 9.157 1.00 0.00 C ATOM 591 O THR A 35 5.522 -0.456 8.513 1.00 0.00 O ATOM 592 CB THR A 35 4.334 -1.039 11.652 1.00 0.00 C ATOM 593 OG1 THR A 35 3.955 -0.372 12.866 1.00 0.00 O ATOM 594 CG2 THR A 35 5.777 -1.511 11.765 1.00 0.00 C ATOM 0 H THR A 35 2.211 0.144 11.189 1.00 0.00 H new ATOM 0 HA THR A 35 4.808 0.773 10.561 1.00 0.00 H new ATOM 0 HB THR A 35 3.695 -1.908 11.494 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.978 -0.371 12.948 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.876 -2.178 12.622 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.058 -2.043 10.856 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.432 -0.650 11.898 1.00 0.00 H new ATOM 602 N VAL A 36 3.753 -1.818 8.767 1.00 0.00 N ATOM 603 CA VAL A 36 4.090 -2.643 7.609 1.00 0.00 C ATOM 604 C VAL A 36 4.077 -1.827 6.313 1.00 0.00 C ATOM 605 O VAL A 36 4.966 -1.981 5.463 1.00 0.00 O ATOM 606 CB VAL A 36 3.144 -3.868 7.469 1.00 0.00 C ATOM 607 CG1 VAL A 36 3.296 -4.799 8.663 1.00 0.00 C ATOM 608 CG2 VAL A 36 1.692 -3.441 7.316 1.00 0.00 C ATOM 0 H VAL A 36 2.883 -2.076 9.233 1.00 0.00 H new ATOM 0 HA VAL A 36 5.101 -3.012 7.781 1.00 0.00 H new ATOM 0 HB VAL A 36 3.432 -4.403 6.564 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.626 -5.651 8.548 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.326 -5.152 8.720 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.045 -4.262 9.578 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.061 -4.325 7.221 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.386 -2.870 8.193 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.587 -2.822 6.425 1.00 0.00 H new ATOM 618 N LEU A 37 3.098 -0.935 6.182 1.00 0.00 N ATOM 619 CA LEU A 37 2.926 -0.166 4.959 1.00 0.00 C ATOM 620 C LEU A 37 4.050 0.842 4.770 1.00 0.00 C ATOM 621 O LEU A 37 4.833 0.718 3.828 1.00 0.00 O ATOM 622 CB LEU A 37 1.572 0.544 4.947 1.00 0.00 C ATOM 623 CG LEU A 37 0.354 -0.381 4.854 1.00 0.00 C ATOM 624 CD1 LEU A 37 -0.930 0.431 4.842 1.00 0.00 C ATOM 625 CD2 LEU A 37 0.443 -1.256 3.613 1.00 0.00 C ATOM 0 H LEU A 37 2.413 -0.729 6.910 1.00 0.00 H new ATOM 0 HA LEU A 37 2.960 -0.869 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.485 1.143 5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.549 1.235 4.105 1.00 0.00 H new ATOM 0 HG LEU A 37 0.344 -1.028 5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.785 -0.242 4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.999 1.016 5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.928 1.102 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.430 -1.907 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.477 -0.625 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.346 -1.864 3.661 1.00 0.00 H new ATOM 637 N ARG A 38 4.156 1.818 5.668 1.00 0.00 N ATOM 638 CA ARG A 38 5.140 2.885 5.496 1.00 0.00 C ATOM 639 C ARG A 38 6.546 2.310 5.374 1.00 0.00 C ATOM 640 O ARG A 38 7.318 2.732 4.515 1.00 0.00 O ATOM 641 CB ARG A 38 5.065 3.931 6.625 1.00 0.00 C ATOM 642 CG ARG A 38 5.235 3.380 8.032 1.00 0.00 C ATOM 643 CD ARG A 38 5.187 4.495 9.072 1.00 0.00 C ATOM 644 NE ARG A 38 5.139 3.979 10.440 1.00 0.00 N ATOM 645 CZ ARG A 38 6.184 3.459 11.085 1.00 0.00 C ATOM 646 NH1 ARG A 38 7.383 3.435 10.517 1.00 0.00 N ATOM 647 NH2 ARG A 38 6.036 2.990 12.316 1.00 0.00 N ATOM 0 H ARG A 38 3.584 1.893 6.509 1.00 0.00 H new ATOM 0 HA ARG A 38 4.898 3.402 4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.834 4.684 6.452 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.102 4.438 6.565 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.449 2.653 8.238 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.185 2.851 8.106 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.063 5.133 8.958 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.312 5.120 8.891 1.00 0.00 H new ATOM 0 HE ARG A 38 4.247 4.020 10.933 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.511 3.816 9.580 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.177 3.035 11.018 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.123 3.027 12.769 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.835 2.592 12.810 1.00 0.00 H new ATOM 661 N LEU A 39 6.839 1.300 6.186 1.00 0.00 N ATOM 662 CA LEU A 39 8.155 0.678 6.202 1.00 0.00 C ATOM 663 C LEU A 39 8.545 0.132 4.829 1.00 0.00 C ATOM 664 O LEU A 39 9.640 0.404 4.339 1.00 0.00 O ATOM 665 CB LEU A 39 8.183 -0.454 7.232 1.00 0.00 C ATOM 666 CG LEU A 39 9.480 -1.264 7.294 1.00 0.00 C ATOM 667 CD1 LEU A 39 10.651 -0.369 7.665 1.00 0.00 C ATOM 668 CD2 LEU A 39 9.340 -2.401 8.293 1.00 0.00 C ATOM 0 H LEU A 39 6.176 0.893 6.846 1.00 0.00 H new ATOM 0 HA LEU A 39 8.879 1.446 6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.995 -0.028 8.218 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.360 -1.136 7.017 1.00 0.00 H new ATOM 0 HG LEU A 39 9.674 -1.688 6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.564 -0.962 7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.760 0.416 6.917 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.469 0.082 8.640 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.269 -2.970 8.329 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.126 -1.993 9.281 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.524 -3.056 7.987 1.00 0.00 H new ATOM 680 N HIS A 40 7.661 -0.642 4.208 1.00 0.00 N ATOM 681 CA HIS A 40 8.030 -1.344 2.986 1.00 0.00 C ATOM 682 C HIS A 40 7.519 -0.682 1.711 1.00 0.00 C ATOM 683 O HIS A 40 8.237 -0.635 0.713 1.00 0.00 O ATOM 684 CB HIS A 40 7.582 -2.802 3.045 1.00 0.00 C ATOM 685 CG HIS A 40 8.462 -3.642 3.918 1.00 0.00 C ATOM 686 ND1 HIS A 40 8.103 -4.057 5.180 1.00 0.00 N ATOM 687 CD2 HIS A 40 9.708 -4.131 3.705 1.00 0.00 C ATOM 688 CE1 HIS A 40 9.091 -4.762 5.705 1.00 0.00 C ATOM 689 NE2 HIS A 40 10.079 -4.822 4.832 1.00 0.00 N ATOM 0 H HIS A 40 6.703 -0.797 4.523 1.00 0.00 H new ATOM 0 HA HIS A 40 9.118 -1.296 2.935 1.00 0.00 H new ATOM 0 HB2 HIS A 40 6.558 -2.848 3.416 1.00 0.00 H new ATOM 0 HB3 HIS A 40 7.575 -3.217 2.037 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.301 -4.001 2.812 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.090 -5.214 6.686 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.969 -5.301 4.971 1.00 0.00 H new ATOM 698 N VAL A 41 6.299 -0.167 1.719 1.00 0.00 N ATOM 699 CA VAL A 41 5.702 0.310 0.478 1.00 0.00 C ATOM 700 C VAL A 41 5.936 1.810 0.266 1.00 0.00 C ATOM 701 O VAL A 41 5.915 2.284 -0.866 1.00 0.00 O ATOM 702 CB VAL A 41 4.185 -0.015 0.398 1.00 0.00 C ATOM 703 CG1 VAL A 41 3.352 0.952 1.227 1.00 0.00 C ATOM 704 CG2 VAL A 41 3.708 -0.029 -1.046 1.00 0.00 C ATOM 0 H VAL A 41 5.714 -0.069 2.549 1.00 0.00 H new ATOM 0 HA VAL A 41 6.205 -0.227 -0.326 1.00 0.00 H new ATOM 0 HB VAL A 41 4.047 -1.011 0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.298 0.689 1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.658 0.893 2.271 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.503 1.968 0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.643 -0.259 -1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.881 0.949 -1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.258 -0.787 -1.604 1.00 0.00 H new ATOM 714 N ILE A 42 6.199 2.554 1.336 1.00 0.00 N ATOM 715 CA ILE A 42 6.369 4.002 1.213 1.00 0.00 C ATOM 716 C ILE A 42 7.690 4.395 0.517 1.00 0.00 C ATOM 717 O ILE A 42 7.674 5.261 -0.357 1.00 0.00 O ATOM 718 CB ILE A 42 6.210 4.719 2.585 1.00 0.00 C ATOM 719 CG1 ILE A 42 4.793 5.291 2.727 1.00 0.00 C ATOM 720 CG2 ILE A 42 7.234 5.831 2.770 1.00 0.00 C ATOM 721 CD1 ILE A 42 3.681 4.288 2.493 1.00 0.00 C ATOM 0 H ILE A 42 6.298 2.189 2.283 1.00 0.00 H new ATOM 0 HA ILE A 42 5.565 4.348 0.563 1.00 0.00 H new ATOM 0 HB ILE A 42 6.383 3.973 3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.683 5.709 3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.676 6.115 2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.086 6.304 3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.239 5.412 2.720 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.111 6.574 1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.716 4.780 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.760 3.887 1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.767 3.475 3.214 1.00 0.00 H new ATOM 733 N PRO A 43 8.845 3.777 0.856 1.00 0.00 N ATOM 734 CA PRO A 43 10.129 4.128 0.226 1.00 0.00 C ATOM 735 C PRO A 43 10.115 4.016 -1.304 1.00 0.00 C ATOM 736 O PRO A 43 10.778 4.791 -1.994 1.00 0.00 O ATOM 737 CB PRO A 43 11.110 3.109 0.819 1.00 0.00 C ATOM 738 CG PRO A 43 10.503 2.713 2.115 1.00 0.00 C ATOM 739 CD PRO A 43 9.019 2.732 1.887 1.00 0.00 C ATOM 0 HA PRO A 43 10.387 5.169 0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.234 2.249 0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.098 3.547 0.962 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.840 1.722 2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.787 3.404 2.909 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.653 1.764 1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.475 2.974 2.800 1.00 0.00 H new ATOM 747 N THR A 44 9.367 3.053 -1.832 1.00 0.00 N ATOM 748 CA THR A 44 9.367 2.808 -3.269 1.00 0.00 C ATOM 749 C THR A 44 8.062 3.252 -3.952 1.00 0.00 C ATOM 750 O THR A 44 8.101 3.864 -5.019 1.00 0.00 O ATOM 751 CB THR A 44 9.668 1.320 -3.580 1.00 0.00 C ATOM 752 OG1 THR A 44 9.580 1.066 -4.989 1.00 0.00 O ATOM 753 CG2 THR A 44 8.728 0.392 -2.824 1.00 0.00 C ATOM 0 H THR A 44 8.759 2.436 -1.293 1.00 0.00 H new ATOM 0 HA THR A 44 10.165 3.423 -3.685 1.00 0.00 H new ATOM 0 HB THR A 44 10.686 1.118 -3.248 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.775 0.122 -5.164 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.967 -0.644 -3.065 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.844 0.551 -1.752 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.698 0.603 -3.112 1.00 0.00 H new ATOM 761 N LEU A 45 6.915 2.958 -3.342 1.00 0.00 N ATOM 762 CA LEU A 45 5.622 3.264 -3.960 1.00 0.00 C ATOM 763 C LEU A 45 4.940 4.454 -3.288 1.00 0.00 C ATOM 764 O LEU A 45 3.907 4.931 -3.756 1.00 0.00 O ATOM 765 CB LEU A 45 4.688 2.046 -3.911 1.00 0.00 C ATOM 766 CG LEU A 45 4.781 1.073 -5.094 1.00 0.00 C ATOM 767 CD1 LEU A 45 6.153 0.429 -5.184 1.00 0.00 C ATOM 768 CD2 LEU A 45 3.702 0.009 -4.980 1.00 0.00 C ATOM 0 H LEU A 45 6.852 2.512 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 45 5.823 3.523 -5.000 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.895 1.492 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.661 2.404 -3.842 1.00 0.00 H new ATOM 0 HG LEU A 45 4.626 1.644 -6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.180 -0.253 -6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.910 1.202 -5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.356 -0.125 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.776 -0.677 -5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.834 -0.545 -4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.721 0.484 -4.984 1.00 0.00 H new ATOM 780 N GLY A 46 5.524 4.941 -2.201 1.00 0.00 N ATOM 781 CA GLY A 46 4.938 6.061 -1.482 1.00 0.00 C ATOM 782 C GLY A 46 5.048 7.357 -2.258 1.00 0.00 C ATOM 783 O GLY A 46 4.287 8.299 -2.027 1.00 0.00 O ATOM 0 H GLY A 46 6.392 4.583 -1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.889 5.850 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.435 6.173 -0.518 1.00 0.00 H new ATOM 787 N SER A 47 5.993 7.392 -3.187 1.00 0.00 N ATOM 788 CA SER A 47 6.210 8.554 -4.032 1.00 0.00 C ATOM 789 C SER A 47 5.349 8.482 -5.291 1.00 0.00 C ATOM 790 O SER A 47 5.462 9.321 -6.187 1.00 0.00 O ATOM 791 CB SER A 47 7.691 8.633 -4.401 1.00 0.00 C ATOM 792 OG SER A 47 8.184 7.359 -4.790 1.00 0.00 O ATOM 0 H SER A 47 6.629 6.617 -3.375 1.00 0.00 H new ATOM 0 HA SER A 47 5.921 9.452 -3.485 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.830 9.345 -5.214 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.263 9.005 -3.551 1.00 0.00 H new ATOM 0 HG SER A 47 9.133 7.433 -5.024 1.00 0.00 H new ATOM 798 N ILE A 48 4.488 7.476 -5.352 1.00 0.00 N ATOM 799 CA ILE A 48 3.610 7.289 -6.493 1.00 0.00 C ATOM 800 C ILE A 48 2.241 7.900 -6.216 1.00 0.00 C ATOM 801 O ILE A 48 1.670 7.694 -5.144 1.00 0.00 O ATOM 802 CB ILE A 48 3.449 5.789 -6.837 1.00 0.00 C ATOM 803 CG1 ILE A 48 4.808 5.180 -7.197 1.00 0.00 C ATOM 804 CG2 ILE A 48 2.457 5.593 -7.975 1.00 0.00 C ATOM 805 CD1 ILE A 48 4.741 3.706 -7.547 1.00 0.00 C ATOM 0 H ILE A 48 4.380 6.775 -4.619 1.00 0.00 H new ATOM 0 HA ILE A 48 4.065 7.792 -7.346 1.00 0.00 H new ATOM 0 HB ILE A 48 3.057 5.277 -5.958 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.229 5.726 -8.041 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.491 5.315 -6.358 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.363 4.530 -8.196 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.485 5.990 -7.683 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.812 6.118 -8.862 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.740 3.344 -7.791 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.350 3.147 -6.696 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.085 3.565 -8.406 1.00 0.00 H new ATOM 817 N PRO A 49 1.714 8.697 -7.160 1.00 0.00 N ATOM 818 CA PRO A 49 0.363 9.245 -7.059 1.00 0.00 C ATOM 819 C PRO A 49 -0.689 8.143 -7.136 1.00 0.00 C ATOM 820 O PRO A 49 -0.563 7.209 -7.932 1.00 0.00 O ATOM 821 CB PRO A 49 0.256 10.189 -8.263 1.00 0.00 C ATOM 822 CG PRO A 49 1.297 9.720 -9.220 1.00 0.00 C ATOM 823 CD PRO A 49 2.405 9.143 -8.383 1.00 0.00 C ATOM 0 HA PRO A 49 0.190 9.751 -6.109 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.737 10.147 -8.710 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.429 11.224 -7.969 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.892 8.971 -9.900 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.661 10.544 -9.834 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.901 8.315 -8.889 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.171 9.887 -8.163 1.00 0.00 H new ATOM 831 N LEU A 50 -1.723 8.263 -6.312 1.00 0.00 N ATOM 832 CA LEU A 50 -2.771 7.246 -6.217 1.00 0.00 C ATOM 833 C LEU A 50 -3.387 6.931 -7.579 1.00 0.00 C ATOM 834 O LEU A 50 -3.767 5.796 -7.847 1.00 0.00 O ATOM 835 CB LEU A 50 -3.872 7.705 -5.257 1.00 0.00 C ATOM 836 CG LEU A 50 -3.444 7.882 -3.798 1.00 0.00 C ATOM 837 CD1 LEU A 50 -4.584 8.466 -2.976 1.00 0.00 C ATOM 838 CD2 LEU A 50 -2.992 6.552 -3.213 1.00 0.00 C ATOM 0 H LEU A 50 -1.861 9.062 -5.693 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.303 6.338 -5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.272 8.653 -5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.686 6.981 -5.293 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.605 8.577 -3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.263 8.585 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.865 9.437 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.442 7.794 -3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.691 6.695 -2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.813 5.837 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.147 6.170 -3.787 1.00 0.00 H new ATOM 850 N LYS A 51 -3.466 7.935 -8.442 1.00 0.00 N ATOM 851 CA LYS A 51 -4.124 7.773 -9.733 1.00 0.00 C ATOM 852 C LYS A 51 -3.174 7.216 -10.797 1.00 0.00 C ATOM 853 O LYS A 51 -3.557 7.058 -11.959 1.00 0.00 O ATOM 854 CB LYS A 51 -4.731 9.103 -10.182 1.00 0.00 C ATOM 855 CG LYS A 51 -5.823 9.603 -9.245 1.00 0.00 C ATOM 856 CD LYS A 51 -6.444 10.899 -9.734 1.00 0.00 C ATOM 857 CE LYS A 51 -7.562 11.361 -8.809 1.00 0.00 C ATOM 858 NZ LYS A 51 -8.241 12.573 -9.330 1.00 0.00 N ATOM 0 H LYS A 51 -3.085 8.866 -8.274 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.923 7.042 -9.611 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.943 9.853 -10.246 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.144 8.988 -11.184 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.598 8.842 -9.153 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.405 9.754 -8.250 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.677 11.671 -9.795 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.837 10.759 -10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.290 10.559 -8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.153 11.570 -7.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.996 12.857 -8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.551 13.346 -9.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.653 12.366 -10.262 1.00 0.00 H new ATOM 872 N LYS A 52 -1.940 6.913 -10.408 1.00 0.00 N ATOM 873 CA LYS A 52 -1.014 6.248 -11.315 1.00 0.00 C ATOM 874 C LYS A 52 -0.818 4.807 -10.876 1.00 0.00 C ATOM 875 O LYS A 52 -0.362 3.973 -11.651 1.00 0.00 O ATOM 876 CB LYS A 52 0.348 6.956 -11.346 1.00 0.00 C ATOM 877 CG LYS A 52 1.226 6.544 -12.528 1.00 0.00 C ATOM 878 CD LYS A 52 2.597 6.008 -12.103 1.00 0.00 C ATOM 879 CE LYS A 52 2.500 4.630 -11.453 1.00 0.00 C ATOM 880 NZ LYS A 52 3.830 3.980 -11.281 1.00 0.00 N ATOM 0 H LYS A 52 -1.562 7.115 -9.482 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.442 6.283 -12.317 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.187 8.033 -11.382 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.879 6.744 -10.418 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.708 5.780 -13.108 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.366 7.403 -13.185 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.250 5.952 -12.974 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.058 6.706 -11.404 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.018 4.725 -10.480 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.863 3.989 -12.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 3.703 2.955 -11.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.416 4.162 -12.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.300 4.369 -10.439 1.00 0.00 H new ATOM 894 N LEU A 53 -1.182 4.536 -9.627 1.00 0.00 N ATOM 895 CA LEU A 53 -0.919 3.253 -8.987 1.00 0.00 C ATOM 896 C LEU A 53 -1.406 2.088 -9.854 1.00 0.00 C ATOM 897 O LEU A 53 -2.608 1.903 -10.060 1.00 0.00 O ATOM 898 CB LEU A 53 -1.578 3.245 -7.597 1.00 0.00 C ATOM 899 CG LEU A 53 -1.162 2.115 -6.646 1.00 0.00 C ATOM 900 CD1 LEU A 53 -1.890 0.828 -6.985 1.00 0.00 C ATOM 901 CD2 LEU A 53 0.343 1.894 -6.690 1.00 0.00 C ATOM 0 H LEU A 53 -1.669 5.203 -9.028 1.00 0.00 H new ATOM 0 HA LEU A 53 0.156 3.120 -8.869 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.361 4.196 -7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.658 3.196 -7.732 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.438 2.413 -5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.579 0.042 -6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.965 0.984 -6.895 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.650 0.533 -8.006 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.613 1.088 -6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.642 1.626 -7.703 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.854 2.809 -6.391 1.00 0.00 H new ATOM 913 N GLN A 54 -0.453 1.320 -10.370 1.00 0.00 N ATOM 914 CA GLN A 54 -0.753 0.181 -11.221 1.00 0.00 C ATOM 915 C GLN A 54 -0.494 -1.120 -10.472 1.00 0.00 C ATOM 916 O GLN A 54 0.326 -1.157 -9.553 1.00 0.00 O ATOM 917 CB GLN A 54 0.105 0.221 -12.491 1.00 0.00 C ATOM 918 CG GLN A 54 -0.144 1.435 -13.371 1.00 0.00 C ATOM 919 CD GLN A 54 0.732 1.444 -14.611 1.00 0.00 C ATOM 920 OE1 GLN A 54 1.841 0.908 -14.604 1.00 0.00 O ATOM 921 NE2 GLN A 54 0.250 2.062 -15.683 1.00 0.00 N ATOM 0 H GLN A 54 0.543 1.470 -10.210 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.805 0.231 -11.501 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.157 0.202 -12.206 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.084 -0.681 -13.073 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.192 1.454 -13.670 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.039 2.342 -12.794 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.673 2.494 -15.650 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.803 2.104 -16.539 1.00 0.00 H new ATOM 930 N PRO A 55 -1.186 -2.203 -10.858 1.00 0.00 N ATOM 931 CA PRO A 55 -1.003 -3.523 -10.238 1.00 0.00 C ATOM 932 C PRO A 55 0.427 -4.043 -10.382 1.00 0.00 C ATOM 933 O PRO A 55 0.906 -4.813 -9.547 1.00 0.00 O ATOM 934 CB PRO A 55 -1.977 -4.422 -11.009 1.00 0.00 C ATOM 935 CG PRO A 55 -2.972 -3.489 -11.612 1.00 0.00 C ATOM 936 CD PRO A 55 -2.215 -2.230 -11.914 1.00 0.00 C ATOM 0 HA PRO A 55 -1.188 -3.493 -9.164 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.459 -4.997 -11.777 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.461 -5.139 -10.346 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.406 -3.912 -12.518 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.795 -3.296 -10.924 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.772 -2.254 -12.909 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.859 -1.352 -11.873 1.00 0.00 H new ATOM 944 N ALA A 56 1.102 -3.611 -11.441 1.00 0.00 N ATOM 945 CA ALA A 56 2.483 -4.007 -11.689 1.00 0.00 C ATOM 946 C ALA A 56 3.400 -3.571 -10.550 1.00 0.00 C ATOM 947 O ALA A 56 4.218 -4.354 -10.069 1.00 0.00 O ATOM 948 CB ALA A 56 2.969 -3.426 -13.007 1.00 0.00 C ATOM 0 H ALA A 56 0.713 -2.983 -12.145 1.00 0.00 H new ATOM 0 HA ALA A 56 2.514 -5.095 -11.746 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.002 -3.730 -13.180 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.342 -3.793 -13.820 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.912 -2.338 -12.968 1.00 0.00 H new ATOM 954 N ASP A 57 3.245 -2.324 -10.108 1.00 0.00 N ATOM 955 CA ASP A 57 4.064 -1.795 -9.019 1.00 0.00 C ATOM 956 C ASP A 57 3.807 -2.577 -7.739 1.00 0.00 C ATOM 957 O ASP A 57 4.736 -2.910 -7.007 1.00 0.00 O ATOM 958 CB ASP A 57 3.777 -0.305 -8.775 1.00 0.00 C ATOM 959 CG ASP A 57 4.308 0.607 -9.866 1.00 0.00 C ATOM 960 OD1 ASP A 57 5.534 0.598 -10.116 1.00 0.00 O ATOM 961 OD2 ASP A 57 3.504 1.351 -10.471 1.00 0.00 O ATOM 0 H ASP A 57 2.564 -1.665 -10.485 1.00 0.00 H new ATOM 0 HA ASP A 57 5.109 -1.902 -9.310 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.700 -0.162 -8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.217 -0.011 -7.822 1.00 0.00 H new ATOM 966 N ILE A 58 2.538 -2.885 -7.494 1.00 0.00 N ATOM 967 CA ILE A 58 2.142 -3.616 -6.296 1.00 0.00 C ATOM 968 C ILE A 58 2.714 -5.031 -6.310 1.00 0.00 C ATOM 969 O ILE A 58 3.294 -5.488 -5.323 1.00 0.00 O ATOM 970 CB ILE A 58 0.609 -3.717 -6.175 1.00 0.00 C ATOM 971 CG1 ILE A 58 -0.056 -2.372 -6.451 1.00 0.00 C ATOM 972 CG2 ILE A 58 0.220 -4.207 -4.789 1.00 0.00 C ATOM 973 CD1 ILE A 58 -1.568 -2.445 -6.442 1.00 0.00 C ATOM 0 H ILE A 58 1.764 -2.639 -8.111 1.00 0.00 H new ATOM 0 HA ILE A 58 2.536 -3.060 -5.445 1.00 0.00 H new ATOM 0 HB ILE A 58 0.262 -4.432 -6.921 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.272 -1.651 -5.702 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.278 -2.000 -7.419 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.866 -4.273 -4.718 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.656 -5.191 -4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.591 -3.508 -4.039 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.981 -1.457 -6.644 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.903 -3.143 -7.209 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.910 -2.788 -5.466 1.00 0.00 H new ATOM 985 N GLN A 59 2.547 -5.717 -7.435 1.00 0.00 N ATOM 986 CA GLN A 59 3.029 -7.085 -7.577 1.00 0.00 C ATOM 987 C GLN A 59 4.547 -7.138 -7.465 1.00 0.00 C ATOM 988 O GLN A 59 5.092 -8.003 -6.776 1.00 0.00 O ATOM 989 CB GLN A 59 2.580 -7.686 -8.911 1.00 0.00 C ATOM 990 CG GLN A 59 3.085 -9.104 -9.139 1.00 0.00 C ATOM 991 CD GLN A 59 2.621 -9.677 -10.459 1.00 0.00 C ATOM 992 OE1 GLN A 59 3.280 -9.513 -11.486 1.00 0.00 O ATOM 993 NE2 GLN A 59 1.492 -10.367 -10.440 1.00 0.00 N ATOM 0 H GLN A 59 2.081 -5.347 -8.263 1.00 0.00 H new ATOM 0 HA GLN A 59 2.599 -7.675 -6.768 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.491 -7.686 -8.952 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.930 -7.049 -9.723 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.175 -9.108 -9.107 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.740 -9.744 -8.327 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.977 -10.478 -9.567 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.137 -10.787 -11.299 1.00 0.00 H new ATOM 1002 N ARG A 60 5.228 -6.209 -8.131 1.00 0.00 N ATOM 1003 CA ARG A 60 6.683 -6.152 -8.065 1.00 0.00 C ATOM 1004 C ARG A 60 7.128 -5.854 -6.641 1.00 0.00 C ATOM 1005 O ARG A 60 8.135 -6.389 -6.171 1.00 0.00 O ATOM 1006 CB ARG A 60 7.244 -5.095 -9.018 1.00 0.00 C ATOM 1007 CG ARG A 60 8.762 -5.104 -9.074 1.00 0.00 C ATOM 1008 CD ARG A 60 9.306 -4.122 -10.095 1.00 0.00 C ATOM 1009 NE ARG A 60 10.678 -4.455 -10.481 1.00 0.00 N ATOM 1010 CZ ARG A 60 11.759 -3.812 -10.047 1.00 0.00 C ATOM 1011 NH1 ARG A 60 11.645 -2.807 -9.185 1.00 0.00 N ATOM 1012 NH2 ARG A 60 12.960 -4.176 -10.479 1.00 0.00 N ATOM 0 H ARG A 60 4.799 -5.492 -8.717 1.00 0.00 H new ATOM 0 HA ARG A 60 7.071 -7.123 -8.372 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.846 -5.266 -10.018 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.902 -4.109 -8.703 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.161 -4.860 -8.090 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.108 -6.108 -9.318 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.668 -4.123 -10.979 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.277 -3.113 -9.683 1.00 0.00 H new ATOM 0 HE ARG A 60 10.815 -5.233 -11.127 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.724 -2.523 -8.851 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.479 -2.319 -8.857 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.052 -4.946 -11.141 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.791 -3.686 -10.149 1.00 0.00 H new ATOM 1026 N LEU A 61 6.365 -5.001 -5.961 1.00 0.00 N ATOM 1027 CA LEU A 61 6.612 -4.701 -4.559 1.00 0.00 C ATOM 1028 C LEU A 61 6.631 -5.996 -3.757 1.00 0.00 C ATOM 1029 O LEU A 61 7.576 -6.256 -3.023 1.00 0.00 O ATOM 1030 CB LEU A 61 5.540 -3.729 -4.023 1.00 0.00 C ATOM 1031 CG LEU A 61 5.732 -3.202 -2.586 1.00 0.00 C ATOM 1032 CD1 LEU A 61 5.294 -4.227 -1.549 1.00 0.00 C ATOM 1033 CD2 LEU A 61 7.181 -2.793 -2.355 1.00 0.00 C ATOM 0 H LEU A 61 5.569 -4.506 -6.363 1.00 0.00 H new ATOM 0 HA LEU A 61 7.582 -4.215 -4.457 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.493 -2.872 -4.695 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.573 -4.229 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 61 5.097 -2.323 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.444 -3.820 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.239 -4.460 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.885 -5.136 -1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.297 -2.424 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.831 -3.655 -2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.454 -2.007 -3.059 1.00 0.00 H new ATOM 1045 N TYR A 62 5.598 -6.815 -3.924 1.00 0.00 N ATOM 1046 CA TYR A 62 5.505 -8.083 -3.205 1.00 0.00 C ATOM 1047 C TYR A 62 6.646 -9.018 -3.581 1.00 0.00 C ATOM 1048 O TYR A 62 7.234 -9.660 -2.711 1.00 0.00 O ATOM 1049 CB TYR A 62 4.172 -8.777 -3.480 1.00 0.00 C ATOM 1050 CG TYR A 62 2.969 -8.000 -3.009 1.00 0.00 C ATOM 1051 CD1 TYR A 62 2.957 -7.390 -1.763 1.00 0.00 C ATOM 1052 CD2 TYR A 62 1.844 -7.883 -3.807 1.00 0.00 C ATOM 1053 CE1 TYR A 62 1.856 -6.683 -1.327 1.00 0.00 C ATOM 1054 CE2 TYR A 62 0.739 -7.178 -3.379 1.00 0.00 C ATOM 1055 CZ TYR A 62 0.752 -6.579 -2.139 1.00 0.00 C ATOM 1056 OH TYR A 62 -0.349 -5.877 -1.708 1.00 0.00 O ATOM 0 H TYR A 62 4.815 -6.625 -4.549 1.00 0.00 H new ATOM 0 HA TYR A 62 5.574 -7.851 -2.142 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.081 -8.955 -4.552 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.175 -9.753 -2.994 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.824 -7.470 -1.124 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.832 -8.351 -4.780 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.861 -6.214 -0.354 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.132 -7.096 -4.013 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.940 -5.696 -2.469 1.00 0.00 H new ATOM 1066 N ALA A 63 6.943 -9.086 -4.872 1.00 0.00 N ATOM 1067 CA ALA A 63 7.984 -9.973 -5.385 1.00 0.00 C ATOM 1068 C ALA A 63 9.349 -9.634 -4.791 1.00 0.00 C ATOM 1069 O ALA A 63 9.992 -10.479 -4.170 1.00 0.00 O ATOM 1070 CB ALA A 63 8.033 -9.897 -6.905 1.00 0.00 C ATOM 0 H ALA A 63 6.474 -8.533 -5.590 1.00 0.00 H new ATOM 0 HA ALA A 63 7.737 -10.992 -5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.812 -10.562 -7.278 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.070 -10.201 -7.316 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.252 -8.874 -7.211 1.00 0.00 H new ATOM 1076 N SER A 64 9.773 -8.387 -4.955 1.00 0.00 N ATOM 1077 CA SER A 64 11.080 -7.955 -4.470 1.00 0.00 C ATOM 1078 C SER A 64 11.112 -7.900 -2.942 1.00 0.00 C ATOM 1079 O SER A 64 12.164 -8.060 -2.322 1.00 0.00 O ATOM 1080 CB SER A 64 11.435 -6.599 -5.085 1.00 0.00 C ATOM 1081 OG SER A 64 11.524 -6.710 -6.495 1.00 0.00 O ATOM 0 H SER A 64 9.232 -7.657 -5.419 1.00 0.00 H new ATOM 0 HA SER A 64 11.829 -8.684 -4.779 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.679 -5.861 -4.818 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.383 -6.245 -4.680 1.00 0.00 H new ATOM 0 HG SER A 64 11.750 -5.837 -6.878 1.00 0.00 H new ATOM 1087 N LYS A 65 9.950 -7.702 -2.334 1.00 0.00 N ATOM 1088 CA LYS A 65 9.841 -7.698 -0.881 1.00 0.00 C ATOM 1089 C LYS A 65 9.931 -9.125 -0.342 1.00 0.00 C ATOM 1090 O LYS A 65 10.287 -9.348 0.815 1.00 0.00 O ATOM 1091 CB LYS A 65 8.524 -7.047 -0.464 1.00 0.00 C ATOM 1092 CG LYS A 65 8.298 -6.977 1.031 1.00 0.00 C ATOM 1093 CD LYS A 65 6.942 -6.369 1.352 1.00 0.00 C ATOM 1094 CE LYS A 65 5.811 -7.114 0.656 1.00 0.00 C ATOM 1095 NZ LYS A 65 5.785 -8.557 1.018 1.00 0.00 N ATOM 0 H LYS A 65 9.070 -7.542 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 65 10.665 -7.121 -0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.489 -6.036 -0.871 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.701 -7.601 -0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.362 -7.978 1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.085 -6.382 1.493 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.781 -6.388 2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.931 -5.323 1.046 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.858 -6.657 0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.922 -7.014 -0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.799 -8.870 1.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.245 -9.111 0.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.293 -8.699 1.914 1.00 0.00 H new ATOM 1109 N LEU A 66 9.591 -10.089 -1.189 1.00 0.00 N ATOM 1110 CA LEU A 66 9.759 -11.495 -0.853 1.00 0.00 C ATOM 1111 C LEU A 66 11.240 -11.842 -0.913 1.00 0.00 C ATOM 1112 O LEU A 66 11.761 -12.567 -0.065 1.00 0.00 O ATOM 1113 CB LEU A 66 8.968 -12.371 -1.829 1.00 0.00 C ATOM 1114 CG LEU A 66 9.026 -13.877 -1.569 1.00 0.00 C ATOM 1115 CD1 LEU A 66 8.317 -14.226 -0.273 1.00 0.00 C ATOM 1116 CD2 LEU A 66 8.414 -14.638 -2.735 1.00 0.00 C ATOM 0 H LEU A 66 9.197 -9.921 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 66 9.381 -11.679 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.924 -12.057 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.335 -12.181 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 66 10.071 -14.170 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.370 -15.302 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.798 -13.707 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.273 -13.920 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.462 -15.709 -2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.373 -14.338 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.967 -14.413 -3.647 1.00 0.00 H new ATOM 1128 N GLU A 67 11.916 -11.280 -1.914 1.00 0.00 N ATOM 1129 CA GLU A 67 13.357 -11.448 -2.082 1.00 0.00 C ATOM 1130 C GLU A 67 14.123 -10.781 -0.938 1.00 0.00 C ATOM 1131 O GLU A 67 15.311 -11.033 -0.738 1.00 0.00 O ATOM 1132 CB GLU A 67 13.799 -10.859 -3.425 1.00 0.00 C ATOM 1133 CG GLU A 67 13.086 -11.470 -4.623 1.00 0.00 C ATOM 1134 CD GLU A 67 13.506 -10.849 -5.939 1.00 0.00 C ATOM 1135 OE1 GLU A 67 14.517 -11.297 -6.518 1.00 0.00 O ATOM 1136 OE2 GLU A 67 12.822 -9.915 -6.411 1.00 0.00 O ATOM 0 H GLU A 67 11.481 -10.697 -2.629 1.00 0.00 H new ATOM 0 HA GLU A 67 13.582 -12.514 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.621 -9.784 -3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.873 -11.004 -3.540 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.287 -12.541 -4.652 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.010 -11.351 -4.498 1.00 0.00 H new ATOM 1143 N SER A 68 13.432 -9.925 -0.193 1.00 0.00 N ATOM 1144 CA SER A 68 14.005 -9.279 0.978 1.00 0.00 C ATOM 1145 C SER A 68 14.113 -10.278 2.135 1.00 0.00 C ATOM 1146 O SER A 68 14.858 -10.061 3.096 1.00 0.00 O ATOM 1147 CB SER A 68 13.145 -8.073 1.381 1.00 0.00 C ATOM 1148 OG SER A 68 13.672 -7.407 2.514 1.00 0.00 O ATOM 0 H SER A 68 12.465 -9.662 -0.384 1.00 0.00 H new ATOM 0 HA SER A 68 15.008 -8.927 0.737 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.083 -7.376 0.546 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.129 -8.406 1.595 1.00 0.00 H new ATOM 0 HG SER A 68 13.100 -6.644 2.741 1.00 0.00 H new ATOM 1154 N GLY A 69 13.376 -11.381 2.033 1.00 0.00 N ATOM 1155 CA GLY A 69 13.426 -12.407 3.057 1.00 0.00 C ATOM 1156 C GLY A 69 12.222 -12.381 3.974 1.00 0.00 C ATOM 1157 O GLY A 69 12.345 -12.633 5.171 1.00 0.00 O ATOM 0 H GLY A 69 12.744 -11.581 1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.493 -13.385 2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.331 -12.278 3.650 1.00 0.00 H new ATOM 1161 N LEU A 70 11.060 -12.065 3.423 1.00 0.00 N ATOM 1162 CA LEU A 70 9.827 -12.062 4.199 1.00 0.00 C ATOM 1163 C LEU A 70 9.031 -13.336 3.964 1.00 0.00 C ATOM 1164 O LEU A 70 8.928 -13.808 2.833 1.00 0.00 O ATOM 1165 CB LEU A 70 8.974 -10.840 3.853 1.00 0.00 C ATOM 1166 CG LEU A 70 9.282 -9.587 4.671 1.00 0.00 C ATOM 1167 CD1 LEU A 70 8.501 -8.401 4.139 1.00 0.00 C ATOM 1168 CD2 LEU A 70 8.947 -9.821 6.137 1.00 0.00 C ATOM 0 H LEU A 70 10.944 -11.807 2.443 1.00 0.00 H new ATOM 0 HA LEU A 70 10.098 -12.014 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.109 -10.608 2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.924 -11.097 3.991 1.00 0.00 H new ATOM 0 HG LEU A 70 10.346 -9.369 4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.732 -7.517 4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.775 -8.221 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.433 -8.611 4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.171 -8.921 6.710 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.888 -10.059 6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.542 -10.651 6.518 1.00 0.00 H new ATOM 1180 N SER A 71 8.481 -13.890 5.034 1.00 0.00 N ATOM 1181 CA SER A 71 7.623 -15.058 4.938 1.00 0.00 C ATOM 1182 C SER A 71 6.364 -14.723 4.144 1.00 0.00 C ATOM 1183 O SER A 71 5.767 -13.656 4.335 1.00 0.00 O ATOM 1184 CB SER A 71 7.254 -15.553 6.339 1.00 0.00 C ATOM 1185 OG SER A 71 6.419 -16.702 6.287 1.00 0.00 O ATOM 0 H SER A 71 8.616 -13.545 5.985 1.00 0.00 H new ATOM 0 HA SER A 71 8.161 -15.850 4.417 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.163 -15.788 6.893 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.745 -14.758 6.884 1.00 0.00 H new ATOM 0 HG SER A 71 5.517 -16.464 6.586 1.00 0.00 H new ATOM 1191 N PRO A 72 5.947 -15.627 3.238 1.00 0.00 N ATOM 1192 CA PRO A 72 4.768 -15.432 2.385 1.00 0.00 C ATOM 1193 C PRO A 72 3.504 -15.132 3.189 1.00 0.00 C ATOM 1194 O PRO A 72 2.579 -14.491 2.690 1.00 0.00 O ATOM 1195 CB PRO A 72 4.622 -16.767 1.639 1.00 0.00 C ATOM 1196 CG PRO A 72 5.495 -17.731 2.370 1.00 0.00 C ATOM 1197 CD PRO A 72 6.604 -16.913 2.964 1.00 0.00 C ATOM 0 HA PRO A 72 4.895 -14.575 1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.585 -17.102 1.635 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.930 -16.670 0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.936 -18.253 3.146 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.889 -18.491 1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.000 -17.367 3.872 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.440 -16.802 2.273 1.00 0.00 H new ATOM 1205 N THR A 73 3.484 -15.586 4.437 1.00 0.00 N ATOM 1206 CA THR A 73 2.364 -15.340 5.330 1.00 0.00 C ATOM 1207 C THR A 73 2.191 -13.845 5.586 1.00 0.00 C ATOM 1208 O THR A 73 1.094 -13.300 5.455 1.00 0.00 O ATOM 1209 CB THR A 73 2.563 -16.079 6.668 1.00 0.00 C ATOM 1210 OG1 THR A 73 3.885 -15.837 7.170 1.00 0.00 O ATOM 1211 CG2 THR A 73 2.351 -17.577 6.499 1.00 0.00 C ATOM 0 H THR A 73 4.239 -16.131 4.854 1.00 0.00 H new ATOM 0 HA THR A 73 1.463 -15.719 4.847 1.00 0.00 H new ATOM 0 HB THR A 73 1.827 -15.700 7.377 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.003 -16.309 8.021 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.497 -18.076 7.457 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.337 -17.763 6.144 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.066 -17.966 5.775 1.00 0.00 H new ATOM 1219 N ARG A 74 3.294 -13.180 5.917 1.00 0.00 N ATOM 1220 CA ARG A 74 3.270 -11.751 6.178 1.00 0.00 C ATOM 1221 C ARG A 74 3.142 -10.987 4.865 1.00 0.00 C ATOM 1222 O ARG A 74 2.613 -9.876 4.824 1.00 0.00 O ATOM 1223 CB ARG A 74 4.535 -11.315 6.920 1.00 0.00 C ATOM 1224 CG ARG A 74 4.429 -9.927 7.528 1.00 0.00 C ATOM 1225 CD ARG A 74 5.714 -9.524 8.228 1.00 0.00 C ATOM 1226 NE ARG A 74 6.172 -10.548 9.165 1.00 0.00 N ATOM 1227 CZ ARG A 74 6.644 -10.296 10.381 1.00 0.00 C ATOM 1228 NH1 ARG A 74 6.705 -9.048 10.830 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.055 -11.297 11.149 1.00 0.00 N ATOM 0 H ARG A 74 4.214 -13.611 6.010 1.00 0.00 H new ATOM 0 HA ARG A 74 2.409 -11.527 6.808 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.750 -12.034 7.710 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.378 -11.338 6.230 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.198 -9.203 6.746 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.603 -9.903 8.239 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.490 -9.340 7.484 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.557 -8.587 8.763 1.00 0.00 H new ATOM 0 HE ARG A 74 6.126 -11.522 8.865 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.389 -8.278 10.241 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.068 -8.859 11.764 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.008 -12.256 10.805 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.418 -11.107 12.083 1.00 0.00 H new ATOM 1243 N VAL A 75 3.626 -11.594 3.786 1.00 0.00 N ATOM 1244 CA VAL A 75 3.484 -11.011 2.461 1.00 0.00 C ATOM 1245 C VAL A 75 2.004 -10.920 2.086 1.00 0.00 C ATOM 1246 O VAL A 75 1.550 -9.915 1.532 1.00 0.00 O ATOM 1247 CB VAL A 75 4.241 -11.830 1.390 1.00 0.00 C ATOM 1248 CG1 VAL A 75 4.015 -11.254 0.000 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.727 -11.877 1.704 1.00 0.00 C ATOM 0 H VAL A 75 4.118 -12.487 3.805 1.00 0.00 H new ATOM 0 HA VAL A 75 3.920 -10.013 2.492 1.00 0.00 H new ATOM 0 HB VAL A 75 3.847 -12.846 1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.559 -11.849 -0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.951 -11.274 -0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.374 -10.225 -0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.242 -12.458 0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.127 -10.863 1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.879 -12.344 2.677 1.00 0.00 H new ATOM 1259 N ARG A 76 1.261 -11.974 2.406 1.00 0.00 N ATOM 1260 CA ARG A 76 -0.171 -12.011 2.158 1.00 0.00 C ATOM 1261 C ARG A 76 -0.890 -10.995 3.043 1.00 0.00 C ATOM 1262 O ARG A 76 -1.832 -10.339 2.601 1.00 0.00 O ATOM 1263 CB ARG A 76 -0.717 -13.424 2.399 1.00 0.00 C ATOM 1264 CG ARG A 76 -2.218 -13.554 2.186 1.00 0.00 C ATOM 1265 CD ARG A 76 -2.673 -15.000 2.314 1.00 0.00 C ATOM 1266 NE ARG A 76 -4.130 -15.122 2.304 1.00 0.00 N ATOM 1267 CZ ARG A 76 -4.793 -16.218 1.940 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -4.144 -17.278 1.469 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -6.118 -16.240 2.026 1.00 0.00 N ATOM 0 H ARG A 76 1.633 -12.819 2.841 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.353 -11.746 1.116 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.205 -14.118 1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.478 -13.725 3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.745 -12.939 2.915 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.481 -13.174 1.199 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.255 -15.585 1.494 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.281 -15.422 3.239 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.676 -14.312 2.596 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.128 -17.257 1.383 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.662 -18.112 1.193 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.620 -15.421 2.369 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.633 -17.076 1.749 1.00 0.00 H new ATOM 1283 N TYR A 77 -0.426 -10.857 4.285 1.00 0.00 N ATOM 1284 CA TYR A 77 -0.974 -9.855 5.197 1.00 0.00 C ATOM 1285 C TYR A 77 -0.870 -8.458 4.594 1.00 0.00 C ATOM 1286 O TYR A 77 -1.835 -7.695 4.604 1.00 0.00 O ATOM 1287 CB TYR A 77 -0.251 -9.894 6.548 1.00 0.00 C ATOM 1288 CG TYR A 77 -0.622 -8.750 7.470 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -1.843 -8.730 8.135 1.00 0.00 C ATOM 1290 CD2 TYR A 77 0.246 -7.681 7.664 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -2.186 -7.679 8.968 1.00 0.00 C ATOM 1292 CE2 TYR A 77 -0.091 -6.628 8.492 1.00 0.00 C ATOM 1293 CZ TYR A 77 -1.307 -6.632 9.140 1.00 0.00 C ATOM 1294 OH TYR A 77 -1.646 -5.579 9.961 1.00 0.00 O ATOM 0 H TYR A 77 0.324 -11.424 4.681 1.00 0.00 H new ATOM 0 HA TYR A 77 -2.026 -10.091 5.356 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.478 -10.837 7.044 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.825 -9.875 6.375 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.535 -9.548 7.999 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.200 -7.674 7.158 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.137 -7.680 9.480 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.595 -5.806 8.631 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.608 -5.605 10.146 1.00 0.00 H new ATOM 1304 N ILE A 78 0.308 -8.134 4.070 1.00 0.00 N ATOM 1305 CA ILE A 78 0.539 -6.841 3.439 1.00 0.00 C ATOM 1306 C ILE A 78 -0.408 -6.627 2.256 1.00 0.00 C ATOM 1307 O ILE A 78 -0.861 -5.511 2.011 1.00 0.00 O ATOM 1308 CB ILE A 78 2.011 -6.697 2.988 1.00 0.00 C ATOM 1309 CG1 ILE A 78 2.924 -6.761 4.217 1.00 0.00 C ATOM 1310 CG2 ILE A 78 2.224 -5.393 2.225 1.00 0.00 C ATOM 1311 CD1 ILE A 78 4.401 -6.707 3.896 1.00 0.00 C ATOM 0 H ILE A 78 1.119 -8.752 4.071 1.00 0.00 H new ATOM 0 HA ILE A 78 0.333 -6.071 4.182 1.00 0.00 H new ATOM 0 HB ILE A 78 2.257 -7.516 2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.678 -5.933 4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.716 -7.681 4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.267 -5.317 1.919 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.585 -5.380 1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.972 -4.550 2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.976 -6.758 4.820 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.666 -7.550 3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.627 -5.775 3.379 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.727 -7.704 1.546 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.674 -7.631 0.438 1.00 0.00 C ATOM 1325 C HIS A 79 -3.065 -7.263 0.951 1.00 0.00 C ATOM 1326 O HIS A 79 -3.775 -6.461 0.343 1.00 0.00 O ATOM 1327 CB HIS A 79 -1.725 -8.967 -0.317 1.00 0.00 C ATOM 1328 CG HIS A 79 -2.578 -8.939 -1.555 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -3.701 -9.724 -1.725 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -2.453 -8.221 -2.695 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -4.223 -9.489 -2.916 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -3.484 -8.584 -3.520 1.00 0.00 N ATOM 0 H HIS A 79 -0.346 -8.635 1.717 1.00 0.00 H new ATOM 0 HA HIS A 79 -1.337 -6.856 -0.250 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.711 -9.255 -0.594 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -2.103 -9.738 0.355 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -1.683 -7.496 -2.914 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.105 -9.960 -3.324 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -3.652 -8.212 -4.455 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.435 -7.839 2.086 1.00 0.00 N ATOM 1342 CA VAL A 80 -4.749 -7.612 2.674 1.00 0.00 C ATOM 1343 C VAL A 80 -4.852 -6.211 3.281 1.00 0.00 C ATOM 1344 O VAL A 80 -5.829 -5.495 3.046 1.00 0.00 O ATOM 1345 CB VAL A 80 -5.071 -8.671 3.753 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -6.425 -8.405 4.393 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -5.028 -10.071 3.156 1.00 0.00 C ATOM 0 H VAL A 80 -2.840 -8.471 2.621 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.478 -7.699 1.869 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.311 -8.602 4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.626 -9.165 5.148 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.419 -7.421 4.861 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.202 -8.439 3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.257 -10.804 3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.763 -10.148 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.033 -10.265 2.755 1.00 0.00 H new ATOM 1357 N VAL A 81 -3.839 -5.817 4.045 1.00 0.00 N ATOM 1358 CA VAL A 81 -3.852 -4.522 4.716 1.00 0.00 C ATOM 1359 C VAL A 81 -3.791 -3.377 3.704 1.00 0.00 C ATOM 1360 O VAL A 81 -4.488 -2.372 3.855 1.00 0.00 O ATOM 1361 CB VAL A 81 -2.706 -4.391 5.751 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -1.339 -4.496 5.095 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -2.828 -3.089 6.524 1.00 0.00 C ATOM 0 H VAL A 81 -3.001 -6.373 4.215 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.795 -4.457 5.259 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.800 -5.223 6.449 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.563 -4.399 5.854 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.246 -5.463 4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.227 -3.701 4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.014 -3.016 7.245 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.775 -2.249 5.832 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.782 -3.066 7.050 1.00 0.00 H new ATOM 1373 N LEU A 82 -2.981 -3.543 2.659 1.00 0.00 N ATOM 1374 CA LEU A 82 -2.890 -2.541 1.604 1.00 0.00 C ATOM 1375 C LEU A 82 -4.234 -2.413 0.902 1.00 0.00 C ATOM 1376 O LEU A 82 -4.677 -1.310 0.592 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.798 -2.902 0.591 1.00 0.00 C ATOM 1378 CG LEU A 82 -1.578 -1.880 -0.528 1.00 0.00 C ATOM 1379 CD1 LEU A 82 -1.139 -0.540 0.045 1.00 0.00 C ATOM 1380 CD2 LEU A 82 -0.552 -2.397 -1.521 1.00 0.00 C ATOM 0 H LEU A 82 -2.383 -4.358 2.523 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.625 -1.586 2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.859 -3.037 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.048 -3.862 0.139 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.523 -1.733 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.988 0.171 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.908 -0.163 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.206 -0.667 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.406 -1.660 -2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.394 -2.572 -1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.906 -3.331 -1.957 1.00 0.00 H new ATOM 1392 N HIS A 83 -4.885 -3.551 0.675 1.00 0.00 N ATOM 1393 CA HIS A 83 -6.218 -3.571 0.091 1.00 0.00 C ATOM 1394 C HIS A 83 -7.179 -2.724 0.919 1.00 0.00 C ATOM 1395 O HIS A 83 -7.854 -1.852 0.385 1.00 0.00 O ATOM 1396 CB HIS A 83 -6.737 -5.015 -0.015 1.00 0.00 C ATOM 1397 CG HIS A 83 -8.206 -5.127 -0.314 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -8.720 -5.277 -1.583 1.00 0.00 N ATOM 1399 CD2 HIS A 83 -9.276 -5.097 0.516 1.00 0.00 C ATOM 1400 CE1 HIS A 83 -10.036 -5.326 -1.520 1.00 0.00 C ATOM 1401 NE2 HIS A 83 -10.397 -5.220 -0.258 1.00 0.00 N ATOM 0 H HIS A 83 -4.507 -4.474 0.889 1.00 0.00 H new ATOM 0 HA HIS A 83 -6.159 -3.147 -0.912 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.179 -5.532 -0.796 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.529 -5.533 0.921 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -8.168 -5.340 -2.439 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -9.249 -4.995 1.591 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -10.705 -5.435 -2.361 1.00 0.00 H new ATOM 1410 N GLU A 84 -7.226 -2.983 2.221 1.00 0.00 N ATOM 1411 CA GLU A 84 -8.161 -2.298 3.107 1.00 0.00 C ATOM 1412 C GLU A 84 -7.855 -0.804 3.176 1.00 0.00 C ATOM 1413 O GLU A 84 -8.753 0.032 3.059 1.00 0.00 O ATOM 1414 CB GLU A 84 -8.100 -2.907 4.509 1.00 0.00 C ATOM 1415 CG GLU A 84 -9.125 -2.330 5.475 1.00 0.00 C ATOM 1416 CD GLU A 84 -10.553 -2.679 5.095 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -10.865 -3.885 4.981 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -11.371 -1.751 4.911 1.00 0.00 O ATOM 0 H GLU A 84 -6.626 -3.664 2.687 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.165 -2.425 2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.251 -3.984 4.434 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.102 -2.753 4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.920 -2.701 6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.017 -1.246 5.507 1.00 0.00 H new ATOM 1425 N ALA A 85 -6.584 -0.474 3.350 1.00 0.00 N ATOM 1426 CA ALA A 85 -6.175 0.914 3.496 1.00 0.00 C ATOM 1427 C ALA A 85 -6.396 1.700 2.203 1.00 0.00 C ATOM 1428 O ALA A 85 -6.913 2.815 2.226 1.00 0.00 O ATOM 1429 CB ALA A 85 -4.723 0.993 3.939 1.00 0.00 C ATOM 0 H ALA A 85 -5.819 -1.148 3.393 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.797 1.371 4.265 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.431 2.038 4.044 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.607 0.486 4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.089 0.512 3.194 1.00 0.00 H new ATOM 1435 N MET A 86 -6.021 1.105 1.075 1.00 0.00 N ATOM 1436 CA MET A 86 -6.192 1.749 -0.226 1.00 0.00 C ATOM 1437 C MET A 86 -7.668 1.792 -0.616 1.00 0.00 C ATOM 1438 O MET A 86 -8.105 2.680 -1.353 1.00 0.00 O ATOM 1439 CB MET A 86 -5.372 1.006 -1.286 1.00 0.00 C ATOM 1440 CG MET A 86 -5.528 1.554 -2.695 1.00 0.00 C ATOM 1441 SD MET A 86 -4.349 0.832 -3.853 1.00 0.00 S ATOM 1442 CE MET A 86 -2.802 1.415 -3.163 1.00 0.00 C ATOM 0 H MET A 86 -5.597 0.178 1.034 1.00 0.00 H new ATOM 0 HA MET A 86 -5.832 2.776 -0.161 1.00 0.00 H new ATOM 0 HB2 MET A 86 -4.319 1.046 -1.008 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.663 -0.044 -1.283 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.542 1.361 -3.046 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.398 2.636 -2.677 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.993 1.221 -3.868 1.00 0.00 H new ATOM 0 HE2 MET A 86 -2.869 2.486 -2.974 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.601 0.893 -2.227 1.00 0.00 H new ATOM 1452 N SER A 87 -8.430 0.842 -0.094 1.00 0.00 N ATOM 1453 CA SER A 87 -9.864 0.777 -0.329 1.00 0.00 C ATOM 1454 C SER A 87 -10.543 2.069 0.128 1.00 0.00 C ATOM 1455 O SER A 87 -11.542 2.502 -0.452 1.00 0.00 O ATOM 1456 CB SER A 87 -10.454 -0.427 0.413 1.00 0.00 C ATOM 1457 OG SER A 87 -11.815 -0.626 0.087 1.00 0.00 O ATOM 0 H SER A 87 -8.072 0.096 0.503 1.00 0.00 H new ATOM 0 HA SER A 87 -10.042 0.660 -1.398 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.885 -1.323 0.163 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.356 -0.276 1.488 1.00 0.00 H new ATOM 0 HG SER A 87 -12.007 -1.587 0.058 1.00 0.00 H new ATOM 1463 N GLN A 88 -9.971 2.700 1.150 1.00 0.00 N ATOM 1464 CA GLN A 88 -10.515 3.939 1.680 1.00 0.00 C ATOM 1465 C GLN A 88 -10.446 5.046 0.636 1.00 0.00 C ATOM 1466 O GLN A 88 -11.377 5.835 0.496 1.00 0.00 O ATOM 1467 CB GLN A 88 -9.765 4.363 2.943 1.00 0.00 C ATOM 1468 CG GLN A 88 -9.826 3.340 4.064 1.00 0.00 C ATOM 1469 CD GLN A 88 -11.243 2.906 4.380 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -11.938 3.541 5.172 1.00 0.00 O ATOM 1471 NE2 GLN A 88 -11.676 1.810 3.778 1.00 0.00 N ATOM 0 H GLN A 88 -9.131 2.371 1.625 1.00 0.00 H new ATOM 0 HA GLN A 88 -11.560 3.765 1.937 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.721 4.549 2.690 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.179 5.306 3.301 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.236 2.467 3.786 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.370 3.761 4.960 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.069 1.312 3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -12.617 1.464 3.965 1.00 0.00 H new ATOM 1480 N ALA A 89 -9.346 5.084 -0.108 1.00 0.00 N ATOM 1481 CA ALA A 89 -9.161 6.084 -1.151 1.00 0.00 C ATOM 1482 C ALA A 89 -10.128 5.840 -2.303 1.00 0.00 C ATOM 1483 O ALA A 89 -10.625 6.781 -2.927 1.00 0.00 O ATOM 1484 CB ALA A 89 -7.723 6.064 -1.652 1.00 0.00 C ATOM 0 H ALA A 89 -8.568 4.432 -0.007 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.370 7.067 -0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.599 6.816 -2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.047 6.282 -0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.493 5.079 -2.058 1.00 0.00 H new ATOM 1490 N ARG A 90 -10.406 4.568 -2.568 1.00 0.00 N ATOM 1491 CA ARG A 90 -11.327 4.188 -3.629 1.00 0.00 C ATOM 1492 C ARG A 90 -12.736 4.665 -3.294 1.00 0.00 C ATOM 1493 O ARG A 90 -13.390 5.323 -4.102 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.326 2.669 -3.818 1.00 0.00 C ATOM 1495 CG ARG A 90 -12.003 2.213 -5.102 1.00 0.00 C ATOM 1496 CD ARG A 90 -12.128 0.700 -5.162 1.00 0.00 C ATOM 1497 NE ARG A 90 -13.255 0.211 -4.372 1.00 0.00 N ATOM 1498 CZ ARG A 90 -13.144 -0.354 -3.171 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -11.949 -0.519 -2.618 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -14.235 -0.767 -2.535 1.00 0.00 N ATOM 0 H ARG A 90 -10.004 3.781 -2.059 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.000 4.658 -4.556 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.296 2.312 -3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.828 2.206 -2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.993 2.663 -5.172 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.431 2.566 -5.960 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.250 0.387 -6.199 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.206 0.246 -4.798 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.190 0.309 -4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.111 -0.213 -3.113 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.868 -0.952 -1.698 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.152 -0.651 -2.967 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.156 -1.200 -1.615 1.00 0.00 H new ATOM 1514 N GLU A 91 -13.178 4.368 -2.076 1.00 0.00 N ATOM 1515 CA GLU A 91 -14.524 4.725 -1.640 1.00 0.00 C ATOM 1516 C GLU A 91 -14.609 6.198 -1.238 1.00 0.00 C ATOM 1517 O GLU A 91 -15.619 6.649 -0.700 1.00 0.00 O ATOM 1518 CB GLU A 91 -14.959 3.828 -0.481 1.00 0.00 C ATOM 1519 CG GLU A 91 -15.006 2.354 -0.856 1.00 0.00 C ATOM 1520 CD GLU A 91 -15.653 1.486 0.204 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -14.938 0.996 1.105 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -16.880 1.263 0.127 1.00 0.00 O ATOM 0 H GLU A 91 -12.623 3.880 -1.373 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.201 4.572 -2.480 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.271 3.963 0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.944 4.141 -0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.554 2.242 -1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.991 2.000 -1.036 1.00 0.00 H new ATOM 1529 N SER A 92 -13.539 6.938 -1.496 1.00 0.00 N ATOM 1530 CA SER A 92 -13.528 8.375 -1.268 1.00 0.00 C ATOM 1531 C SER A 92 -13.462 9.125 -2.596 1.00 0.00 C ATOM 1532 O SER A 92 -13.386 10.355 -2.627 1.00 0.00 O ATOM 1533 CB SER A 92 -12.349 8.759 -0.379 1.00 0.00 C ATOM 1534 OG SER A 92 -12.490 8.209 0.919 1.00 0.00 O ATOM 0 H SER A 92 -12.665 6.564 -1.865 1.00 0.00 H new ATOM 0 HA SER A 92 -14.451 8.654 -0.761 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.421 8.406 -0.828 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.278 9.845 -0.312 1.00 0.00 H new ATOM 0 HG SER A 92 -11.954 7.391 0.988 1.00 0.00 H new ATOM 1540 N GLY A 93 -13.486 8.371 -3.692 1.00 0.00 N ATOM 1541 CA GLY A 93 -13.498 8.975 -5.012 1.00 0.00 C ATOM 1542 C GLY A 93 -12.125 9.427 -5.478 1.00 0.00 C ATOM 1543 O GLY A 93 -12.008 10.170 -6.454 1.00 0.00 O ATOM 0 H GLY A 93 -13.497 7.351 -3.689 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.899 8.258 -5.728 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.172 9.831 -5.006 1.00 0.00 H new ATOM 1547 N LEU A 94 -11.083 8.986 -4.786 1.00 0.00 N ATOM 1548 CA LEU A 94 -9.719 9.358 -5.146 1.00 0.00 C ATOM 1549 C LEU A 94 -9.137 8.333 -6.107 1.00 0.00 C ATOM 1550 O LEU A 94 -8.272 8.643 -6.926 1.00 0.00 O ATOM 1551 CB LEU A 94 -8.844 9.461 -3.893 1.00 0.00 C ATOM 1552 CG LEU A 94 -9.385 10.386 -2.802 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -8.433 10.426 -1.622 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -9.607 11.784 -3.353 1.00 0.00 C ATOM 0 H LEU A 94 -11.154 8.372 -3.975 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.740 10.332 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.718 8.463 -3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.854 9.810 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.343 9.994 -2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.833 11.089 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.320 9.423 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.462 10.796 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.992 12.429 -2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.662 12.185 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.326 11.743 -4.171 1.00 0.00 H new ATOM 1566 N LEU A 95 -9.628 7.109 -5.997 1.00 0.00 N ATOM 1567 CA LEU A 95 -9.222 6.036 -6.881 1.00 0.00 C ATOM 1568 C LEU A 95 -10.460 5.326 -7.400 1.00 0.00 C ATOM 1569 O LEU A 95 -11.273 4.835 -6.626 1.00 0.00 O ATOM 1570 CB LEU A 95 -8.302 5.054 -6.149 1.00 0.00 C ATOM 1571 CG LEU A 95 -7.680 3.961 -7.025 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -6.894 4.569 -8.180 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -6.792 3.058 -6.183 1.00 0.00 C ATOM 0 H LEU A 95 -10.316 6.835 -5.295 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.665 6.450 -7.721 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.498 5.618 -5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.870 4.577 -5.350 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.484 3.360 -7.450 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.463 3.772 -8.786 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.561 5.173 -8.796 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.095 5.197 -7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.355 2.285 -6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.996 3.650 -5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.387 2.591 -5.398 1.00 0.00 H new ATOM 1585 N LEU A 96 -10.604 5.292 -8.714 1.00 0.00 N ATOM 1586 CA LEU A 96 -11.804 4.751 -9.340 1.00 0.00 C ATOM 1587 C LEU A 96 -11.777 3.228 -9.404 1.00 0.00 C ATOM 1588 O LEU A 96 -12.787 2.597 -9.714 1.00 0.00 O ATOM 1589 CB LEU A 96 -11.965 5.309 -10.758 1.00 0.00 C ATOM 1590 CG LEU A 96 -10.824 4.985 -11.732 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -11.333 5.022 -13.161 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -9.673 5.968 -11.568 1.00 0.00 C ATOM 0 H LEU A 96 -9.903 5.633 -9.372 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.649 5.054 -8.722 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.896 4.926 -11.176 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.067 6.392 -10.693 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.457 3.984 -11.505 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.516 4.791 -13.844 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -12.128 4.286 -13.283 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -11.722 6.016 -13.383 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.877 5.717 -12.269 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.027 6.979 -11.768 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.290 5.913 -10.549 1.00 0.00 H new ATOM 1604 N GLN A 97 -10.634 2.640 -9.108 1.00 0.00 N ATOM 1605 CA GLN A 97 -10.457 1.206 -9.280 1.00 0.00 C ATOM 1606 C GLN A 97 -9.826 0.569 -8.052 1.00 0.00 C ATOM 1607 O GLN A 97 -9.383 1.261 -7.138 1.00 0.00 O ATOM 1608 CB GLN A 97 -9.585 0.937 -10.506 1.00 0.00 C ATOM 1609 CG GLN A 97 -8.272 1.705 -10.493 1.00 0.00 C ATOM 1610 CD GLN A 97 -7.457 1.488 -11.751 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -8.004 1.236 -12.824 1.00 0.00 O ATOM 1612 NE2 GLN A 97 -6.146 1.609 -11.635 1.00 0.00 N ATOM 0 H GLN A 97 -9.814 3.129 -8.748 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.442 0.761 -9.421 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -9.373 -0.130 -10.565 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -10.143 1.201 -11.405 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -8.479 2.769 -10.378 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.685 1.399 -9.627 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -5.732 1.819 -10.727 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.549 1.493 -12.454 1.00 0.00 H new ATOM 1621 N ASN A 98 -9.802 -0.757 -8.041 1.00 0.00 N ATOM 1622 CA ASN A 98 -9.131 -1.511 -6.993 1.00 0.00 C ATOM 1623 C ASN A 98 -8.043 -2.376 -7.620 1.00 0.00 C ATOM 1624 O ASN A 98 -8.311 -3.475 -8.111 1.00 0.00 O ATOM 1625 CB ASN A 98 -10.141 -2.380 -6.232 1.00 0.00 C ATOM 1626 CG ASN A 98 -9.503 -3.224 -5.139 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -9.379 -2.791 -3.994 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -9.113 -4.442 -5.484 1.00 0.00 N ATOM 0 H ASN A 98 -10.245 -1.337 -8.754 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.676 -0.822 -6.281 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -10.902 -1.737 -5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.650 -3.036 -6.938 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -8.692 -5.059 -4.789 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.234 -4.763 -6.445 1.00 0.00 H new ATOM 1635 N PRO A 99 -6.800 -1.876 -7.637 1.00 0.00 N ATOM 1636 CA PRO A 99 -5.683 -2.531 -8.311 1.00 0.00 C ATOM 1637 C PRO A 99 -5.023 -3.611 -7.458 1.00 0.00 C ATOM 1638 O PRO A 99 -4.228 -4.403 -7.960 1.00 0.00 O ATOM 1639 CB PRO A 99 -4.693 -1.381 -8.570 1.00 0.00 C ATOM 1640 CG PRO A 99 -5.316 -0.149 -7.980 1.00 0.00 C ATOM 1641 CD PRO A 99 -6.375 -0.616 -7.027 1.00 0.00 C ATOM 0 HA PRO A 99 -6.011 -3.048 -9.213 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.727 -1.588 -8.109 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -4.515 -1.254 -9.638 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.569 0.453 -7.463 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -5.747 0.478 -8.760 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.982 -0.762 -6.021 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.196 0.097 -6.949 1.00 0.00 H new ATOM 1649 N THR A 100 -5.361 -3.640 -6.176 1.00 0.00 N ATOM 1650 CA THR A 100 -4.751 -4.571 -5.240 1.00 0.00 C ATOM 1651 C THR A 100 -5.068 -6.021 -5.611 1.00 0.00 C ATOM 1652 O THR A 100 -4.221 -6.902 -5.494 1.00 0.00 O ATOM 1653 CB THR A 100 -5.239 -4.285 -3.811 1.00 0.00 C ATOM 1654 OG1 THR A 100 -5.508 -2.883 -3.666 1.00 0.00 O ATOM 1655 CG2 THR A 100 -4.197 -4.708 -2.787 1.00 0.00 C ATOM 0 H THR A 100 -6.059 -3.024 -5.760 1.00 0.00 H new ATOM 0 HA THR A 100 -3.671 -4.432 -5.290 1.00 0.00 H new ATOM 0 HB THR A 100 -6.150 -4.858 -3.637 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.201 -2.580 -2.786 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.566 -4.495 -1.784 1.00 0.00 H new ATOM 0 HG22 THR A 100 -4.004 -5.776 -2.884 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.273 -4.156 -2.959 1.00 0.00 H new ATOM 1663 N GLU A 101 -6.287 -6.252 -6.077 1.00 0.00 N ATOM 1664 CA GLU A 101 -6.726 -7.587 -6.474 1.00 0.00 C ATOM 1665 C GLU A 101 -6.119 -7.981 -7.810 1.00 0.00 C ATOM 1666 O GLU A 101 -5.825 -9.153 -8.052 1.00 0.00 O ATOM 1667 CB GLU A 101 -8.250 -7.631 -6.549 1.00 0.00 C ATOM 1668 CG GLU A 101 -8.910 -8.057 -5.250 1.00 0.00 C ATOM 1669 CD GLU A 101 -8.211 -7.520 -4.016 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -8.095 -6.285 -3.881 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -7.772 -8.339 -3.176 1.00 0.00 O ATOM 0 H GLU A 101 -6.996 -5.528 -6.191 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.386 -8.302 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.620 -6.645 -6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.547 -8.319 -7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -9.946 -7.717 -5.249 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -8.931 -9.146 -5.202 1.00 0.00 H new ATOM 1678 N ALA A 102 -5.929 -6.989 -8.666 1.00 0.00 N ATOM 1679 CA ALA A 102 -5.290 -7.202 -9.955 1.00 0.00 C ATOM 1680 C ALA A 102 -3.814 -7.533 -9.763 1.00 0.00 C ATOM 1681 O ALA A 102 -3.187 -8.162 -10.614 1.00 0.00 O ATOM 1682 CB ALA A 102 -5.458 -5.974 -10.839 1.00 0.00 C ATOM 0 H ALA A 102 -6.210 -6.024 -8.490 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.770 -8.046 -10.450 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.974 -6.149 -11.800 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.519 -5.781 -10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.001 -5.111 -10.354 1.00 0.00 H new ATOM 1688 N ALA A 103 -3.266 -7.111 -8.631 1.00 0.00 N ATOM 1689 CA ALA A 103 -1.897 -7.431 -8.280 1.00 0.00 C ATOM 1690 C ALA A 103 -1.852 -8.753 -7.530 1.00 0.00 C ATOM 1691 O ALA A 103 -2.051 -8.801 -6.313 1.00 0.00 O ATOM 1692 CB ALA A 103 -1.281 -6.317 -7.448 1.00 0.00 C ATOM 0 H ALA A 103 -3.756 -6.543 -7.939 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.312 -7.527 -9.195 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.253 -6.577 -7.195 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.290 -5.389 -8.019 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.858 -6.185 -6.532 1.00 0.00 H new ATOM 1698 N LYS A 104 -1.631 -9.820 -8.277 1.00 0.00 N ATOM 1699 CA LYS A 104 -1.590 -11.161 -7.717 1.00 0.00 C ATOM 1700 C LYS A 104 -0.323 -11.367 -6.895 1.00 0.00 C ATOM 1701 O LYS A 104 0.787 -11.146 -7.385 1.00 0.00 O ATOM 1702 CB LYS A 104 -1.677 -12.193 -8.845 1.00 0.00 C ATOM 1703 CG LYS A 104 -1.688 -13.637 -8.371 1.00 0.00 C ATOM 1704 CD LYS A 104 -1.959 -14.594 -9.522 1.00 0.00 C ATOM 1705 CE LYS A 104 -0.900 -14.493 -10.610 1.00 0.00 C ATOM 1706 NZ LYS A 104 -1.240 -15.332 -11.789 1.00 0.00 N ATOM 0 H LYS A 104 -1.475 -9.783 -9.284 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.443 -11.291 -7.051 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.581 -12.006 -9.424 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.832 -12.050 -9.519 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.729 -13.879 -7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.450 -13.764 -7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.993 -15.616 -9.143 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.939 -14.379 -9.949 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.796 -13.454 -10.921 1.00 0.00 H new ATOM 0 HE3 LYS A 104 0.065 -14.804 -10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.495 -15.237 -12.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.314 -16.327 -11.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.148 -15.019 -12.187 1.00 0.00 H new ATOM 1720 N PRO A 105 -0.484 -11.776 -5.626 1.00 0.00 N ATOM 1721 CA PRO A 105 0.640 -12.024 -4.716 1.00 0.00 C ATOM 1722 C PRO A 105 1.383 -13.323 -5.048 1.00 0.00 C ATOM 1723 O PRO A 105 0.964 -14.070 -5.937 1.00 0.00 O ATOM 1724 CB PRO A 105 -0.044 -12.118 -3.347 1.00 0.00 C ATOM 1725 CG PRO A 105 -1.416 -12.610 -3.641 1.00 0.00 C ATOM 1726 CD PRO A 105 -1.788 -12.026 -4.976 1.00 0.00 C ATOM 0 HA PRO A 105 1.403 -11.248 -4.775 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.488 -12.801 -2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.070 -11.148 -2.850 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -1.442 -13.699 -3.671 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -2.117 -12.295 -2.868 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.400 -12.715 -5.558 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -2.362 -11.106 -4.865 1.00 0.00 H new ATOM 1734 N PRO A 106 2.509 -13.596 -4.353 1.00 0.00 N ATOM 1735 CA PRO A 106 3.282 -14.834 -4.536 1.00 0.00 C ATOM 1736 C PRO A 106 2.429 -16.102 -4.434 1.00 0.00 C ATOM 1737 O PRO A 106 1.318 -16.084 -3.894 1.00 0.00 O ATOM 1738 CB PRO A 106 4.300 -14.788 -3.398 1.00 0.00 C ATOM 1739 CG PRO A 106 4.477 -13.339 -3.117 1.00 0.00 C ATOM 1740 CD PRO A 106 3.135 -12.705 -3.359 1.00 0.00 C ATOM 0 HA PRO A 106 3.724 -14.881 -5.531 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.938 -15.322 -2.519 1.00 0.00 H new ATOM 0 HB3 PRO A 106 5.242 -15.254 -3.688 1.00 0.00 H new ATOM 0 HG2 PRO A 106 4.806 -13.178 -2.090 1.00 0.00 H new ATOM 0 HG3 PRO A 106 5.237 -12.905 -3.767 1.00 0.00 H new ATOM 0 HD2 PRO A 106 2.546 -12.649 -2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.234 -11.688 -3.738 1.00 0.00 H new ATOM 1748 N ARG A 107 2.971 -17.198 -4.946 1.00 0.00 N ATOM 1749 CA ARG A 107 2.255 -18.467 -5.006 1.00 0.00 C ATOM 1750 C ARG A 107 2.001 -19.055 -3.619 1.00 0.00 C ATOM 1751 O ARG A 107 2.760 -18.829 -2.674 1.00 0.00 O ATOM 1752 CB ARG A 107 3.025 -19.452 -5.885 1.00 0.00 C ATOM 1753 CG ARG A 107 2.663 -19.349 -7.359 1.00 0.00 C ATOM 1754 CD ARG A 107 3.809 -19.788 -8.253 1.00 0.00 C ATOM 1755 NE ARG A 107 4.788 -18.717 -8.449 1.00 0.00 N ATOM 1756 CZ ARG A 107 6.051 -18.915 -8.832 1.00 0.00 C ATOM 1757 NH1 ARG A 107 6.525 -20.147 -8.964 1.00 0.00 N ATOM 1758 NH2 ARG A 107 6.846 -17.879 -9.070 1.00 0.00 N ATOM 0 H ARG A 107 3.915 -17.234 -5.330 1.00 0.00 H new ATOM 0 HA ARG A 107 1.276 -18.279 -5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 107 4.094 -19.276 -5.767 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.829 -20.467 -5.539 1.00 0.00 H new ATOM 0 HG2 ARG A 107 1.787 -19.965 -7.562 1.00 0.00 H new ATOM 0 HG3 ARG A 107 2.391 -18.320 -7.595 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.302 -20.655 -7.813 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.416 -20.102 -9.220 1.00 0.00 H new ATOM 0 HE ARG A 107 4.485 -17.757 -8.282 1.00 0.00 H new ATOM 0 HH11 ARG A 107 5.923 -20.948 -8.773 1.00 0.00 H new ATOM 0 HH12 ARG A 107 7.491 -20.293 -9.257 1.00 0.00 H new ATOM 0 HH21 ARG A 107 6.492 -16.929 -8.960 1.00 0.00 H new ATOM 0 HH22 ARG A 107 7.811 -18.033 -9.363 1.00 0.00 H new ATOM 1772 N HIS A 108 0.913 -19.805 -3.521 1.00 0.00 N ATOM 1773 CA HIS A 108 0.475 -20.417 -2.274 1.00 0.00 C ATOM 1774 C HIS A 108 0.937 -21.875 -2.219 1.00 0.00 C ATOM 1775 O HIS A 108 0.379 -22.732 -2.902 1.00 0.00 O ATOM 1776 CB HIS A 108 -1.057 -20.312 -2.195 1.00 0.00 C ATOM 1777 CG HIS A 108 -1.686 -20.951 -0.996 1.00 0.00 C ATOM 1778 ND1 HIS A 108 -1.499 -20.745 0.328 1.00 0.00 N flip ATOM 1779 CD2 HIS A 108 -2.678 -21.896 -1.100 1.00 0.00 C flip ATOM 1780 CE1 HIS A 108 -2.381 -21.564 0.994 1.00 0.00 C flip ATOM 1781 NE2 HIS A 108 -3.080 -22.244 0.105 1.00 0.00 N flip ATOM 0 H HIS A 108 0.303 -20.008 -4.313 1.00 0.00 H new ATOM 0 HA HIS A 108 0.913 -19.901 -1.419 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -1.333 -19.258 -2.210 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -1.481 -20.765 -3.091 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -0.830 -20.103 0.753 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.068 -22.292 -2.026 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -2.484 -21.638 2.066 1.00 0.00 H new ATOM 1790 N PRO A 109 1.973 -22.168 -1.411 1.00 0.00 N ATOM 1791 CA PRO A 109 2.600 -23.497 -1.358 1.00 0.00 C ATOM 1792 C PRO A 109 1.720 -24.556 -0.690 1.00 0.00 C ATOM 1793 O PRO A 109 1.059 -25.343 -1.369 1.00 0.00 O ATOM 1794 CB PRO A 109 3.883 -23.271 -0.539 1.00 0.00 C ATOM 1795 CG PRO A 109 4.019 -21.790 -0.390 1.00 0.00 C ATOM 1796 CD PRO A 109 2.631 -21.229 -0.496 1.00 0.00 C ATOM 0 HA PRO A 109 2.780 -23.883 -2.361 1.00 0.00 H new ATOM 0 HB2 PRO A 109 3.816 -23.757 0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 109 4.750 -23.694 -1.047 1.00 0.00 H new ATOM 0 HG2 PRO A 109 4.470 -21.535 0.569 1.00 0.00 H new ATOM 0 HG3 PRO A 109 4.665 -21.379 -1.165 1.00 0.00 H new ATOM 0 HD2 PRO A 109 2.134 -21.193 0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 109 2.634 -20.213 -0.891 1.00 0.00 H new ATOM 1804 N LEU A 110 1.712 -24.573 0.640 1.00 0.00 N ATOM 1805 CA LEU A 110 0.926 -25.551 1.384 1.00 0.00 C ATOM 1806 C LEU A 110 -0.536 -25.135 1.409 1.00 0.00 C ATOM 1807 O LEU A 110 -0.845 -23.945 1.397 1.00 0.00 O ATOM 1808 CB LEU A 110 1.448 -25.715 2.820 1.00 0.00 C ATOM 1809 CG LEU A 110 2.786 -26.457 2.972 1.00 0.00 C ATOM 1810 CD1 LEU A 110 2.760 -27.775 2.212 1.00 0.00 C ATOM 1811 CD2 LEU A 110 3.954 -25.592 2.522 1.00 0.00 C ATOM 0 H LEU A 110 2.239 -23.923 1.223 1.00 0.00 H new ATOM 0 HA LEU A 110 1.021 -26.512 0.878 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.553 -24.724 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 110 0.693 -26.245 3.401 1.00 0.00 H new ATOM 0 HG LEU A 110 2.928 -26.676 4.030 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.716 -28.284 2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.962 -28.405 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.583 -27.581 1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.885 -26.146 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.825 -25.323 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.990 -24.686 3.127 1.00 0.00 H new ATOM 1823 N GLU A 111 -1.430 -26.111 1.448 1.00 0.00 N ATOM 1824 CA GLU A 111 -2.854 -25.833 1.374 1.00 0.00 C ATOM 1825 C GLU A 111 -3.638 -26.792 2.269 1.00 0.00 C ATOM 1826 O GLU A 111 -3.062 -27.704 2.863 1.00 0.00 O ATOM 1827 CB GLU A 111 -3.334 -25.963 -0.076 1.00 0.00 C ATOM 1828 CG GLU A 111 -4.708 -25.361 -0.323 1.00 0.00 C ATOM 1829 CD GLU A 111 -5.264 -25.712 -1.681 1.00 0.00 C ATOM 1830 OE1 GLU A 111 -4.956 -24.997 -2.656 1.00 0.00 O ATOM 1831 OE2 GLU A 111 -6.021 -26.699 -1.779 1.00 0.00 O ATOM 0 H GLU A 111 -1.194 -27.100 1.530 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.028 -24.815 1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.612 -25.478 -0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.355 -27.018 -0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.396 -25.709 0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -4.647 -24.277 -0.230 1.00 0.00 H new ATOM 1838 N HIS A 112 -4.947 -26.553 2.357 1.00 0.00 N ATOM 1839 CA HIS A 112 -5.893 -27.415 3.064 1.00 0.00 C ATOM 1840 C HIS A 112 -5.786 -27.235 4.575 1.00 0.00 C ATOM 1841 O HIS A 112 -6.766 -26.884 5.230 1.00 0.00 O ATOM 1842 CB HIS A 112 -5.709 -28.891 2.683 1.00 0.00 C ATOM 1843 CG HIS A 112 -6.964 -29.701 2.808 1.00 0.00 C ATOM 1844 ND1 HIS A 112 -7.160 -30.890 2.142 1.00 0.00 N ATOM 1845 CD2 HIS A 112 -8.099 -29.477 3.512 1.00 0.00 C ATOM 1846 CE1 HIS A 112 -8.360 -31.359 2.428 1.00 0.00 C ATOM 1847 NE2 HIS A 112 -8.955 -30.520 3.255 1.00 0.00 N ATOM 0 H HIS A 112 -5.387 -25.738 1.930 1.00 0.00 H new ATOM 0 HA HIS A 112 -6.893 -27.112 2.755 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -5.348 -28.951 1.656 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -4.939 -29.329 3.318 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -8.295 -28.633 4.157 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.784 -32.277 2.048 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -9.894 -30.628 3.639 1.00 0.00 H new ATOM 1856 N HIS A 113 -4.603 -27.471 5.123 1.00 0.00 N ATOM 1857 CA HIS A 113 -4.394 -27.320 6.552 1.00 0.00 C ATOM 1858 C HIS A 113 -3.929 -25.906 6.861 1.00 0.00 C ATOM 1859 O HIS A 113 -2.820 -25.510 6.498 1.00 0.00 O ATOM 1860 CB HIS A 113 -3.377 -28.341 7.069 1.00 0.00 C ATOM 1861 CG HIS A 113 -3.164 -28.275 8.550 1.00 0.00 C ATOM 1862 ND1 HIS A 113 -2.015 -27.781 9.123 1.00 0.00 N ATOM 1863 CD2 HIS A 113 -3.964 -28.647 9.575 1.00 0.00 C ATOM 1864 CE1 HIS A 113 -2.113 -27.855 10.436 1.00 0.00 C ATOM 1865 NE2 HIS A 113 -3.287 -28.377 10.738 1.00 0.00 N ATOM 0 H HIS A 113 -3.778 -27.766 4.601 1.00 0.00 H new ATOM 0 HA HIS A 113 -5.341 -27.503 7.060 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -3.713 -29.343 6.803 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -2.424 -28.180 6.565 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -4.952 -29.077 9.494 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -1.360 -27.542 11.144 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -3.634 -28.551 11.681 1.00 0.00 H new ATOM 1874 N HIS A 114 -4.784 -25.150 7.529 1.00 0.00 N ATOM 1875 CA HIS A 114 -4.471 -23.777 7.895 1.00 0.00 C ATOM 1876 C HIS A 114 -3.452 -23.761 9.021 1.00 0.00 C ATOM 1877 O HIS A 114 -3.326 -24.736 9.768 1.00 0.00 O ATOM 1878 CB HIS A 114 -5.731 -23.026 8.336 1.00 0.00 C ATOM 1879 CG HIS A 114 -6.783 -22.932 7.275 1.00 0.00 C ATOM 1880 ND1 HIS A 114 -6.804 -21.946 6.314 1.00 0.00 N ATOM 1881 CD2 HIS A 114 -7.857 -23.712 7.030 1.00 0.00 C ATOM 1882 CE1 HIS A 114 -7.844 -22.124 5.525 1.00 0.00 C ATOM 1883 NE2 HIS A 114 -8.501 -23.191 5.937 1.00 0.00 N ATOM 0 H HIS A 114 -5.706 -25.465 7.831 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.058 -23.278 7.018 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -6.153 -23.525 9.209 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -5.452 -22.019 8.648 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.154 -24.585 7.591 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -8.113 -21.502 4.684 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -9.349 -23.567 5.512 1.00 0.00 H new ATOM 1892 N HIS A 115 -2.724 -22.665 9.148 1.00 0.00 N ATOM 1893 CA HIS A 115 -1.737 -22.547 10.202 1.00 0.00 C ATOM 1894 C HIS A 115 -2.195 -21.548 11.251 1.00 0.00 C ATOM 1895 O HIS A 115 -2.020 -20.336 11.094 1.00 0.00 O ATOM 1896 CB HIS A 115 -0.371 -22.143 9.641 1.00 0.00 C ATOM 1897 CG HIS A 115 0.698 -23.150 9.936 1.00 0.00 C ATOM 1898 ND1 HIS A 115 1.610 -23.012 10.958 1.00 0.00 N ATOM 1899 CD2 HIS A 115 0.983 -24.330 9.339 1.00 0.00 C ATOM 1900 CE1 HIS A 115 2.407 -24.063 10.975 1.00 0.00 C ATOM 1901 NE2 HIS A 115 2.048 -24.880 10.003 1.00 0.00 N ATOM 0 H HIS A 115 -2.798 -21.851 8.538 1.00 0.00 H new ATOM 0 HA HIS A 115 -1.632 -23.525 10.672 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -0.451 -22.010 8.562 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -0.082 -21.179 10.060 1.00 0.00 H new ATOM 0 HD1 HIS A 115 1.661 -22.222 11.601 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.466 -24.760 8.494 1.00 0.00 H new ATOM 0 HE1 HIS A 115 3.218 -24.227 11.669 1.00 0.00 H new ATOM 1910 N HIS A 116 -2.814 -22.061 12.304 1.00 0.00 N ATOM 1911 CA HIS A 116 -3.228 -21.239 13.430 1.00 0.00 C ATOM 1912 C HIS A 116 -2.005 -20.901 14.276 1.00 0.00 C ATOM 1913 O HIS A 116 -2.008 -19.948 15.058 1.00 0.00 O ATOM 1914 CB HIS A 116 -4.284 -21.980 14.263 1.00 0.00 C ATOM 1915 CG HIS A 116 -4.845 -21.179 15.397 1.00 0.00 C ATOM 1916 ND1 HIS A 116 -5.852 -20.251 15.239 1.00 0.00 N ATOM 1917 CD2 HIS A 116 -4.538 -21.173 16.716 1.00 0.00 C ATOM 1918 CE1 HIS A 116 -6.138 -19.710 16.407 1.00 0.00 C ATOM 1919 NE2 HIS A 116 -5.357 -20.253 17.320 1.00 0.00 N ATOM 0 H HIS A 116 -3.042 -23.050 12.402 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.675 -20.313 13.068 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -5.101 -22.282 13.608 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -3.841 -22.893 14.662 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -3.788 -21.780 17.202 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -6.885 -18.951 16.586 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -5.361 -20.026 18.314 1.00 0.00 H new ATOM 1928 N HIS A 117 -0.963 -21.699 14.106 1.00 0.00 N ATOM 1929 CA HIS A 117 0.301 -21.477 14.781 1.00 0.00 C ATOM 1930 C HIS A 117 1.438 -21.934 13.874 1.00 0.00 C ATOM 1931 O HIS A 117 1.951 -23.052 14.074 1.00 0.00 O ATOM 1932 CB HIS A 117 0.336 -22.248 16.104 1.00 0.00 C ATOM 1933 CG HIS A 117 1.555 -21.988 16.930 1.00 0.00 C ATOM 1934 ND1 HIS A 117 2.759 -22.608 16.702 1.00 0.00 N ATOM 1935 CD2 HIS A 117 1.748 -21.176 17.992 1.00 0.00 C ATOM 1936 CE1 HIS A 117 3.640 -22.193 17.589 1.00 0.00 C ATOM 1937 NE2 HIS A 117 3.053 -21.321 18.386 1.00 0.00 N ATOM 1938 OXT HIS A 117 1.784 -21.191 12.933 1.00 0.00 O ATOM 0 H HIS A 117 -0.972 -22.517 13.497 1.00 0.00 H new ATOM 0 HA HIS A 117 0.415 -20.415 14.999 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -0.547 -21.988 16.687 1.00 0.00 H new ATOM 0 HB3 HIS A 117 0.275 -23.315 15.892 1.00 0.00 H new ATOM 0 HD1 HIS A 117 2.943 -23.285 15.961 1.00 0.00 H new ATOM 0 HD2 HIS A 117 1.010 -20.531 18.447 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.670 -22.513 17.653 1.00 0.00 H new TER 1947 HIS A 117