USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 903 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 75 GLN : amide:sc= -0.248 K(o=-0.38,f=-1.4) USER MOD Set 1.2: A 88 LYS NZ :NH3+ 145:sc= -0.135 (180deg=-6.18!) USER MOD Set 2.1: A 70 HIS : no HD1:sc= -7.38! C(o=-11!,f=-11!) USER MOD Set 2.2: A 74 CYS SG : rot 12:sc= -1.56 USER MOD Set 2.3: B 4 GLN : amide:sc= -2.2! C(o=-11!,f=-14!) USER MOD Set 3.1: A 62 GLN : amide:sc= 0.123 K(o=0.17,f=-0.62) USER MOD Set 3.2: B 12 SER OG : rot 180:sc= 0.0508 USER MOD Set 4.1: A 45 HIS : no HE2:sc= 0.872 K(o=-6,f=-14!) USER MOD Set 4.2: A 49 CYS SG : rot 94:sc= -0.0946 USER MOD Set 4.3: A 57 CYS SG : rot 120:sc= -3! USER MOD Set 4.4: A 60 CYS SG : rot 112:sc= -3.78! USER MOD Set 5.1: A 22 HIS :FLIP no HE2:sc= 0.489 F(o=-4.7!,f=-0.4) USER MOD Set 5.2: A 26 CYS SG : rot 155:sc= 0.465 USER MOD Set 5.3: A 36 CYS SG : rot 180:sc= -1.36 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.184 USER MOD Single : A 3 GLN : amide:sc= 0.553 K(o=0.55,f=-0.084) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 88:sc= 0.664 USER MOD Single : A 14 GLN : amide:sc= -0.55 K(o=-0.55,f=-2.3!) USER MOD Single : A 18 GLN : amide:sc= -0.0734 K(o=-0.073,f=-2.3!) USER MOD Single : A 19 SER OG : rot 83:sc= -1.36! USER MOD Single : A 25 GLN : amide:sc= -0.069 X(o=-0.069,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 CYS SG : rot 180:sc= -0.253 USER MOD Single : A 32 SER OG : rot 42:sc= 0.667 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.865 X(o=-0.86,f=-1.2) USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= -0.0584 (180deg=-0.532) USER MOD Single : A 39 MET CE :methyl 179:sc= -4.42! (180deg=-4.47!) USER MOD Single : A 40 LYS NZ :NH3+ 141:sc= -0.792! (180deg=-3.24!) USER MOD Single : A 44 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.016) USER MOD Single : A 46 THR OG1 : rot 161:sc= -3.5 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= -0.0122 (180deg=-0.219) USER MOD Single : A 52 LYS NZ :NH3+ -154:sc= 0.617 (180deg=0.024) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0387 USER MOD Single : A 54 ASN : amide:sc= -0.476 X(o=-0.48,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HE2:sc= -0.103 K(o=-0.1,f=-5.5!) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.154 F(o=-2.3!,f=-0.15) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 1:sc= 0.642 USER MOD Single : A 84 CYS SG : rot -4:sc= 0.669 USER MOD Single : A 86 ASN : amide:sc= -0.465 X(o=-0.47,f=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LEU N :NH3+ 157:sc= -0.961 (180deg=-1.84!) USER MOD Single : B 3 SER OG : rot -162:sc= -2.64! USER MOD Single : B 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 10 MET CE :methyl 153:sc= -0.27 (180deg=-0.566) USER MOD Single : B 18 GLN : amide:sc= -0.0441 X(o=-0.044,f=0.012) USER MOD Single : B 21 THR OG1 : rot 30:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 21.683 -9.871 1.352 1.00 0.00 N ATOM 2 CA ALA A 1 20.592 -9.770 0.395 1.00 0.00 C ATOM 3 C ALA A 1 19.410 -9.073 1.038 1.00 0.00 C ATOM 4 O ALA A 1 18.940 -9.493 2.097 1.00 0.00 O ATOM 5 CB ALA A 1 20.189 -11.152 -0.093 1.00 0.00 C ATOM 0 H1 ALA A 1 22.492 -10.350 0.907 1.00 0.00 H new ATOM 0 H2 ALA A 1 21.969 -8.918 1.655 1.00 0.00 H new ATOM 0 H3 ALA A 1 21.370 -10.418 2.179 1.00 0.00 H new ATOM 0 HA ALA A 1 20.925 -9.185 -0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 1 19.372 -11.061 -0.808 1.00 0.00 H new ATOM 0 HB2 ALA A 1 21.042 -11.631 -0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 1 19.864 -11.757 0.754 1.00 0.00 H new ATOM 13 N THR A 2 18.910 -8.039 0.386 1.00 0.00 N ATOM 14 CA THR A 2 17.783 -7.234 0.853 1.00 0.00 C ATOM 15 C THR A 2 16.436 -7.953 0.679 1.00 0.00 C ATOM 16 O THR A 2 15.381 -7.303 0.626 1.00 0.00 O ATOM 17 CB THR A 2 17.724 -5.991 -0.015 1.00 0.00 C ATOM 18 OG1 THR A 2 18.805 -6.049 -0.987 1.00 0.00 O ATOM 19 CG2 THR A 2 17.836 -4.722 0.816 1.00 0.00 C ATOM 0 H THR A 2 19.283 -7.723 -0.509 1.00 0.00 H new ATOM 0 HA THR A 2 17.935 -7.024 1.912 1.00 0.00 H new ATOM 0 HB THR A 2 16.760 -5.963 -0.523 1.00 0.00 H new ATOM 0 HG1 THR A 2 18.777 -5.251 -1.556 1.00 0.00 H new ATOM 0 HG21 THR A 2 17.790 -3.852 0.160 1.00 0.00 H new ATOM 0 HG22 THR A 2 17.014 -4.681 1.531 1.00 0.00 H new ATOM 0 HG23 THR A 2 18.784 -4.721 1.353 1.00 0.00 H new ATOM 27 N GLN A 3 16.443 -9.261 0.704 1.00 0.00 N ATOM 28 CA GLN A 3 15.323 -10.029 0.398 1.00 0.00 C ATOM 29 C GLN A 3 15.435 -11.243 1.252 1.00 0.00 C ATOM 30 O GLN A 3 15.290 -12.368 0.806 1.00 0.00 O ATOM 31 CB GLN A 3 15.272 -10.330 -1.135 1.00 0.00 C ATOM 32 CG GLN A 3 14.740 -9.156 -1.946 1.00 0.00 C ATOM 33 CD GLN A 3 14.734 -9.375 -3.446 1.00 0.00 C ATOM 34 OE1 GLN A 3 14.948 -8.447 -4.212 1.00 0.00 O ATOM 35 NE2 GLN A 3 14.365 -10.537 -3.881 1.00 0.00 N ATOM 0 H GLN A 3 17.266 -9.812 0.948 1.00 0.00 H new ATOM 0 HA GLN A 3 14.381 -9.521 0.606 1.00 0.00 H new ATOM 0 HB2 GLN A 3 16.272 -10.584 -1.485 1.00 0.00 H new ATOM 0 HB3 GLN A 3 14.642 -11.202 -1.309 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.723 -8.938 -1.620 1.00 0.00 H new ATOM 0 HG3 GLN A 3 15.342 -8.275 -1.723 1.00 0.00 H new ATOM 0 HE21 GLN A 3 14.192 -11.297 -3.223 1.00 0.00 H new ATOM 0 HE22 GLN A 3 14.247 -10.693 -4.882 1.00 0.00 H new ATOM 44 N SER A 4 15.683 -11.002 2.528 1.00 0.00 N ATOM 45 CA SER A 4 15.905 -12.122 3.432 1.00 0.00 C ATOM 46 C SER A 4 14.979 -12.172 4.643 1.00 0.00 C ATOM 47 O SER A 4 14.389 -13.192 4.940 1.00 0.00 O ATOM 48 CB SER A 4 17.324 -12.343 3.743 1.00 0.00 C ATOM 49 OG SER A 4 18.099 -12.604 2.579 1.00 0.00 O ATOM 0 H SER A 4 15.735 -10.076 2.953 1.00 0.00 H new ATOM 0 HA SER A 4 15.597 -12.996 2.858 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.723 -11.466 4.253 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.416 -13.182 4.433 1.00 0.00 H new ATOM 0 HG SER A 4 19.035 -12.743 2.834 1.00 0.00 H new ATOM 55 N PRO A 5 14.776 -11.207 5.558 1.00 0.00 N ATOM 56 CA PRO A 5 13.600 -11.282 6.458 1.00 0.00 C ATOM 57 C PRO A 5 12.498 -10.810 5.563 1.00 0.00 C ATOM 58 O PRO A 5 11.297 -11.007 5.730 1.00 0.00 O ATOM 59 CB PRO A 5 13.912 -10.263 7.569 1.00 0.00 C ATOM 60 CG PRO A 5 15.444 -10.191 7.590 1.00 0.00 C ATOM 61 CD PRO A 5 15.838 -10.358 6.119 1.00 0.00 C ATOM 0 HA PRO A 5 13.358 -12.244 6.910 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.470 -9.290 7.353 1.00 0.00 H new ATOM 0 HB3 PRO A 5 13.515 -10.588 8.531 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.794 -9.241 7.993 1.00 0.00 H new ATOM 0 HG3 PRO A 5 15.873 -10.978 8.211 1.00 0.00 H new ATOM 0 HD2 PRO A 5 15.891 -9.396 5.609 1.00 0.00 H new ATOM 0 HD3 PRO A 5 16.817 -10.826 6.019 1.00 0.00 H new ATOM 69 N GLY A 6 13.056 -10.125 4.583 1.00 0.00 N ATOM 70 CA GLY A 6 12.545 -9.459 3.491 1.00 0.00 C ATOM 71 C GLY A 6 12.151 -10.013 2.186 1.00 0.00 C ATOM 72 O GLY A 6 11.469 -9.271 1.543 1.00 0.00 O ATOM 0 H GLY A 6 14.072 -10.035 4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 6 11.656 -8.950 3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 6 13.281 -8.689 3.260 1.00 0.00 H new ATOM 76 N ASP A 7 12.376 -11.200 1.602 1.00 0.00 N ATOM 77 CA ASP A 7 11.851 -11.307 0.284 1.00 0.00 C ATOM 78 C ASP A 7 10.399 -11.606 0.581 1.00 0.00 C ATOM 79 O ASP A 7 9.526 -11.029 0.057 1.00 0.00 O ATOM 80 CB ASP A 7 12.444 -12.482 -0.347 1.00 0.00 C ATOM 81 CG ASP A 7 12.074 -12.794 -1.768 1.00 0.00 C ATOM 82 OD1 ASP A 7 11.062 -13.492 -1.992 1.00 0.00 O ATOM 83 OD2 ASP A 7 12.830 -12.419 -2.678 1.00 0.00 O ATOM 0 H ASP A 7 12.867 -12.006 1.990 1.00 0.00 H new ATOM 0 HA ASP A 7 12.023 -10.444 -0.359 1.00 0.00 H new ATOM 0 HB2 ASP A 7 13.527 -12.371 -0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 7 12.188 -13.350 0.261 1.00 0.00 H new ATOM 88 N SER A 8 10.190 -12.384 1.581 1.00 0.00 N ATOM 89 CA SER A 8 8.894 -12.609 1.929 1.00 0.00 C ATOM 90 C SER A 8 8.229 -11.311 2.561 1.00 0.00 C ATOM 91 O SER A 8 7.106 -11.038 2.248 1.00 0.00 O ATOM 92 CB SER A 8 8.649 -13.907 2.686 1.00 0.00 C ATOM 93 OG SER A 8 7.259 -14.128 2.917 1.00 0.00 O ATOM 0 H SER A 8 10.902 -12.852 2.142 1.00 0.00 H new ATOM 0 HA SER A 8 8.353 -12.797 1.002 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.061 -14.742 2.120 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.176 -13.877 3.640 1.00 0.00 H new ATOM 0 HG SER A 8 7.138 -14.970 3.403 1.00 0.00 H new ATOM 99 N ARG A 9 8.949 -10.489 3.427 1.00 0.00 N ATOM 100 CA ARG A 9 8.380 -9.192 3.817 1.00 0.00 C ATOM 101 C ARG A 9 8.226 -8.255 2.649 1.00 0.00 C ATOM 102 O ARG A 9 7.191 -7.709 2.452 1.00 0.00 O ATOM 103 CB ARG A 9 9.132 -8.420 4.910 1.00 0.00 C ATOM 104 CG ARG A 9 8.793 -8.756 6.340 1.00 0.00 C ATOM 105 CD ARG A 9 7.296 -8.973 6.641 1.00 0.00 C ATOM 106 NE ARG A 9 6.729 -10.239 6.113 1.00 0.00 N ATOM 107 CZ ARG A 9 5.478 -10.697 6.377 1.00 0.00 C ATOM 108 NH1 ARG A 9 4.774 -10.189 7.401 1.00 0.00 N ATOM 109 NH2 ARG A 9 4.987 -11.722 5.683 1.00 0.00 N ATOM 0 H ARG A 9 9.861 -10.710 3.827 1.00 0.00 H new ATOM 0 HA ARG A 9 7.416 -9.494 4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.200 -8.584 4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.950 -7.356 4.760 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.335 -9.659 6.620 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.160 -7.953 6.979 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.150 -8.949 7.721 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.732 -8.138 6.225 1.00 0.00 H new ATOM 0 HE ARG A 9 7.322 -10.806 5.508 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.178 -9.456 7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.835 -10.536 7.596 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.550 -12.161 4.955 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.048 -12.068 5.880 1.00 0.00 H new ATOM 123 N ARG A 10 9.245 -8.121 1.847 1.00 0.00 N ATOM 124 CA ARG A 10 9.251 -7.109 0.798 1.00 0.00 C ATOM 125 C ARG A 10 8.376 -7.501 -0.325 1.00 0.00 C ATOM 126 O ARG A 10 7.831 -6.660 -0.947 1.00 0.00 O ATOM 127 CB ARG A 10 10.653 -6.723 0.264 1.00 0.00 C ATOM 128 CG ARG A 10 11.520 -5.851 1.173 1.00 0.00 C ATOM 129 CD ARG A 10 12.000 -6.573 2.411 1.00 0.00 C ATOM 130 NE ARG A 10 12.876 -5.750 3.232 1.00 0.00 N ATOM 131 CZ ARG A 10 12.868 -5.666 4.575 1.00 0.00 C ATOM 132 NH1 ARG A 10 11.974 -6.322 5.305 1.00 0.00 N ATOM 133 NH2 ARG A 10 13.751 -4.892 5.167 1.00 0.00 N ATOM 0 H ARG A 10 10.088 -8.694 1.890 1.00 0.00 H new ATOM 0 HA ARG A 10 8.863 -6.214 1.284 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.200 -7.641 0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.524 -6.202 -0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.383 -5.496 0.610 1.00 0.00 H new ATOM 0 HG3 ARG A 10 10.951 -4.971 1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.139 -6.884 3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.529 -7.480 2.117 1.00 0.00 H new ATOM 0 HE ARG A 10 13.564 -5.180 2.740 1.00 0.00 H new ATOM 0 HH11 ARG A 10 11.273 -6.906 4.849 1.00 0.00 H new ATOM 0 HH12 ARG A 10 11.988 -6.242 6.322 1.00 0.00 H new ATOM 0 HH21 ARG A 10 14.426 -4.369 4.609 1.00 0.00 H new ATOM 0 HH22 ARG A 10 13.761 -4.815 6.184 1.00 0.00 H new ATOM 147 N LEU A 11 8.243 -8.781 -0.586 1.00 0.00 N ATOM 148 CA LEU A 11 7.309 -9.230 -1.572 1.00 0.00 C ATOM 149 C LEU A 11 5.967 -9.196 -1.067 1.00 0.00 C ATOM 150 O LEU A 11 5.026 -9.031 -1.807 1.00 0.00 O ATOM 151 CB LEU A 11 7.650 -10.518 -2.216 1.00 0.00 C ATOM 152 CG LEU A 11 8.864 -10.388 -3.179 1.00 0.00 C ATOM 153 CD1 LEU A 11 10.210 -10.342 -2.570 1.00 0.00 C ATOM 154 CD2 LEU A 11 8.743 -11.163 -4.447 1.00 0.00 C ATOM 0 H LEU A 11 8.772 -9.522 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 11 7.379 -8.512 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.875 -11.258 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.786 -10.886 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 11 8.776 -9.352 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.961 -10.251 -3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.278 -9.484 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.385 -11.257 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.636 -11.010 -5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.638 -12.223 -4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.867 -10.823 -4.999 1.00 0.00 H new ATOM 166 N SER A 12 5.873 -9.277 0.201 1.00 0.00 N ATOM 167 CA SER A 12 4.620 -9.093 0.839 1.00 0.00 C ATOM 168 C SER A 12 4.216 -7.618 0.652 1.00 0.00 C ATOM 169 O SER A 12 3.081 -7.310 0.302 1.00 0.00 O ATOM 170 CB SER A 12 4.692 -9.455 2.333 1.00 0.00 C ATOM 171 OG SER A 12 3.503 -9.193 3.029 1.00 0.00 O ATOM 0 H SER A 12 6.653 -9.471 0.829 1.00 0.00 H new ATOM 0 HA SER A 12 3.876 -9.753 0.394 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.936 -10.513 2.431 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.505 -8.896 2.796 1.00 0.00 H new ATOM 0 HG SER A 12 2.911 -9.972 2.971 1.00 0.00 H new ATOM 177 N ILE A 13 5.206 -6.725 0.770 1.00 0.00 N ATOM 178 CA ILE A 13 4.940 -5.295 0.681 1.00 0.00 C ATOM 179 C ILE A 13 4.727 -4.960 -0.705 1.00 0.00 C ATOM 180 O ILE A 13 3.911 -4.188 -1.012 1.00 0.00 O ATOM 181 CB ILE A 13 6.055 -4.349 1.048 1.00 0.00 C ATOM 182 CG1 ILE A 13 6.869 -4.763 2.171 1.00 0.00 C ATOM 183 CG2 ILE A 13 5.369 -3.078 1.485 1.00 0.00 C ATOM 184 CD1 ILE A 13 8.145 -4.039 2.186 1.00 0.00 C ATOM 0 H ILE A 13 6.184 -6.968 0.925 1.00 0.00 H new ATOM 0 HA ILE A 13 4.115 -5.166 1.381 1.00 0.00 H new ATOM 0 HB ILE A 13 6.718 -4.274 0.186 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.332 -4.581 3.102 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.055 -5.836 2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.118 -2.339 1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.768 -2.688 0.664 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.725 -3.287 2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.739 -4.367 3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.690 -4.243 1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.955 -2.969 2.266 1.00 0.00 H new ATOM 196 N GLN A 14 5.557 -5.489 -1.517 1.00 0.00 N ATOM 197 CA GLN A 14 5.498 -5.342 -2.938 1.00 0.00 C ATOM 198 C GLN A 14 4.095 -5.543 -3.404 1.00 0.00 C ATOM 199 O GLN A 14 3.603 -4.776 -4.129 1.00 0.00 O ATOM 200 CB GLN A 14 6.375 -6.378 -3.586 1.00 0.00 C ATOM 201 CG GLN A 14 6.543 -6.218 -5.023 1.00 0.00 C ATOM 202 CD GLN A 14 7.170 -7.434 -5.666 1.00 0.00 C ATOM 203 OE1 GLN A 14 8.378 -7.543 -5.779 1.00 0.00 O ATOM 204 NE2 GLN A 14 6.347 -8.352 -6.110 1.00 0.00 N ATOM 0 H GLN A 14 6.338 -6.066 -1.206 1.00 0.00 H new ATOM 0 HA GLN A 14 5.839 -4.343 -3.208 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.357 -6.351 -3.114 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.955 -7.364 -3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.572 -6.027 -5.481 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.165 -5.345 -5.219 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.340 -8.231 -6.000 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.713 -9.188 -6.566 1.00 0.00 H new ATOM 213 N ARG A 15 3.485 -6.566 -2.922 1.00 0.00 N ATOM 214 CA ARG A 15 2.102 -6.900 -3.239 1.00 0.00 C ATOM 215 C ARG A 15 1.135 -5.982 -2.626 1.00 0.00 C ATOM 216 O ARG A 15 0.091 -5.691 -3.194 1.00 0.00 O ATOM 217 CB ARG A 15 1.833 -8.236 -2.770 1.00 0.00 C ATOM 218 CG ARG A 15 2.698 -9.186 -3.535 1.00 0.00 C ATOM 219 CD ARG A 15 2.232 -10.590 -3.354 1.00 0.00 C ATOM 220 NE ARG A 15 2.211 -10.993 -1.928 1.00 0.00 N ATOM 221 CZ ARG A 15 2.135 -12.260 -1.484 1.00 0.00 C ATOM 222 NH1 ARG A 15 2.170 -13.271 -2.340 1.00 0.00 N ATOM 223 NH2 ARG A 15 2.034 -12.504 -0.187 1.00 0.00 N ATOM 0 H ARG A 15 3.926 -7.223 -2.279 1.00 0.00 H new ATOM 0 HA ARG A 15 1.986 -6.819 -4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.038 -8.312 -1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.781 -8.483 -2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.683 -8.927 -4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.731 -9.095 -3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.232 -10.696 -3.775 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.885 -11.262 -3.910 1.00 0.00 H new ATOM 0 HE ARG A 15 2.258 -10.252 -1.229 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.255 -13.090 -3.340 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.112 -14.230 -1.999 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.014 -11.730 0.477 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.976 -13.466 0.148 1.00 0.00 H new ATOM 237 N ALA A 16 1.509 -5.502 -1.510 1.00 0.00 N ATOM 238 CA ALA A 16 0.742 -4.629 -0.719 1.00 0.00 C ATOM 239 C ALA A 16 0.705 -3.330 -1.410 1.00 0.00 C ATOM 240 O ALA A 16 -0.317 -2.778 -1.624 1.00 0.00 O ATOM 241 CB ALA A 16 1.396 -4.565 0.636 1.00 0.00 C ATOM 0 H ALA A 16 2.416 -5.721 -1.097 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.288 -4.957 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.829 -3.895 1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.418 -5.562 1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.415 -4.192 0.531 1.00 0.00 H new ATOM 247 N ILE A 17 1.841 -2.937 -1.847 1.00 0.00 N ATOM 248 CA ILE A 17 2.039 -1.776 -2.588 1.00 0.00 C ATOM 249 C ILE A 17 1.543 -1.919 -3.996 1.00 0.00 C ATOM 250 O ILE A 17 0.962 -1.070 -4.465 1.00 0.00 O ATOM 251 CB ILE A 17 3.470 -1.430 -2.657 1.00 0.00 C ATOM 252 CG1 ILE A 17 3.973 -1.034 -1.369 1.00 0.00 C ATOM 253 CG2 ILE A 17 3.653 -0.345 -3.583 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.395 -0.984 -1.305 1.00 0.00 C ATOM 0 H ILE A 17 2.702 -3.457 -1.680 1.00 0.00 H new ATOM 0 HA ILE A 17 1.478 -0.993 -2.077 1.00 0.00 H new ATOM 0 HB ILE A 17 4.018 -2.312 -2.988 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.571 -0.053 -1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.608 -1.731 -0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.711 -0.087 -3.636 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.303 -0.646 -4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.084 0.521 -3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.704 -0.678 -0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.804 -1.970 -1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.767 -0.265 -2.035 1.00 0.00 H new ATOM 266 N GLN A 18 1.859 -2.991 -4.677 1.00 0.00 N ATOM 267 CA GLN A 18 1.387 -3.200 -6.051 1.00 0.00 C ATOM 268 C GLN A 18 -0.084 -3.148 -6.043 1.00 0.00 C ATOM 269 O GLN A 18 -0.663 -2.561 -6.931 1.00 0.00 O ATOM 270 CB GLN A 18 1.797 -4.571 -6.616 1.00 0.00 C ATOM 271 CG GLN A 18 3.227 -4.732 -7.063 1.00 0.00 C ATOM 272 CD GLN A 18 3.536 -6.181 -7.410 1.00 0.00 C ATOM 273 OE1 GLN A 18 2.951 -7.100 -6.838 1.00 0.00 O ATOM 274 NE2 GLN A 18 4.432 -6.402 -8.334 1.00 0.00 N ATOM 0 H GLN A 18 2.443 -3.744 -4.314 1.00 0.00 H new ATOM 0 HA GLN A 18 1.834 -2.425 -6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.594 -5.324 -5.855 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.151 -4.794 -7.465 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.413 -4.100 -7.931 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.898 -4.394 -6.273 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.899 -5.618 -8.789 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.665 -7.359 -8.600 1.00 0.00 H new ATOM 283 N SER A 19 -0.700 -3.729 -5.025 1.00 0.00 N ATOM 284 CA SER A 19 -2.098 -3.625 -4.980 1.00 0.00 C ATOM 285 C SER A 19 -2.509 -2.301 -4.598 1.00 0.00 C ATOM 286 O SER A 19 -3.399 -1.789 -5.170 1.00 0.00 O ATOM 287 CB SER A 19 -2.755 -4.658 -4.187 1.00 0.00 C ATOM 288 OG SER A 19 -2.502 -5.920 -4.753 1.00 0.00 O ATOM 0 H SER A 19 -0.256 -4.247 -4.267 1.00 0.00 H new ATOM 0 HA SER A 19 -2.440 -3.806 -5.999 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.390 -4.629 -3.160 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.829 -4.474 -4.149 1.00 0.00 H new ATOM 0 HG SER A 19 -1.627 -6.243 -4.453 1.00 0.00 H new ATOM 294 N LEU A 20 -1.824 -1.728 -3.678 1.00 0.00 N ATOM 295 CA LEU A 20 -2.084 -0.443 -3.257 1.00 0.00 C ATOM 296 C LEU A 20 -1.940 0.593 -4.364 1.00 0.00 C ATOM 297 O LEU A 20 -2.800 1.419 -4.554 1.00 0.00 O ATOM 298 CB LEU A 20 -1.192 -0.086 -2.183 1.00 0.00 C ATOM 299 CG LEU A 20 -1.612 0.996 -1.520 1.00 0.00 C ATOM 300 CD1 LEU A 20 -2.567 0.563 -0.462 1.00 0.00 C ATOM 301 CD2 LEU A 20 -0.484 1.805 -1.161 1.00 0.00 C ATOM 0 H LEU A 20 -1.045 -2.174 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.123 -0.437 -2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.105 -0.924 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.196 0.100 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.205 1.687 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.920 1.435 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.416 0.057 -0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.066 -0.121 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.826 2.687 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.189 1.229 -0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.044 2.114 -2.063 1.00 0.00 H new ATOM 313 N VAL A 21 -0.842 0.530 -5.043 1.00 0.00 N ATOM 314 CA VAL A 21 -0.500 1.346 -6.133 1.00 0.00 C ATOM 315 C VAL A 21 -1.545 1.202 -7.198 1.00 0.00 C ATOM 316 O VAL A 21 -1.988 2.157 -7.777 1.00 0.00 O ATOM 317 CB VAL A 21 0.908 0.978 -6.736 1.00 0.00 C ATOM 318 CG1 VAL A 21 0.948 1.469 -8.116 1.00 0.00 C ATOM 319 CG2 VAL A 21 2.120 1.507 -5.885 1.00 0.00 C ATOM 0 H VAL A 21 -0.114 -0.149 -4.823 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.447 2.374 -5.775 1.00 0.00 H new ATOM 0 HB VAL A 21 1.023 -0.106 -6.715 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.914 1.228 -8.560 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.154 0.995 -8.694 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.806 2.550 -8.122 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.055 1.215 -6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.071 2.594 -5.818 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.075 1.079 -4.883 1.00 0.00 H new ATOM 329 N HIS A 22 -1.913 0.002 -7.427 1.00 0.00 N ATOM 330 CA HIS A 22 -2.923 -0.329 -8.401 1.00 0.00 C ATOM 331 C HIS A 22 -4.193 0.181 -7.945 1.00 0.00 C ATOM 332 O HIS A 22 -4.832 0.758 -8.644 1.00 0.00 O ATOM 333 CB HIS A 22 -2.995 -1.792 -8.559 1.00 0.00 C ATOM 334 CG HIS A 22 -3.934 -2.308 -9.625 1.00 0.00 C ATOM 335 ND1 HIS A 22 -5.266 -2.523 -9.606 1.00 0.00 N flip ATOM 336 CD2 HIS A 22 -3.513 -2.679 -10.876 1.00 0.00 C flip ATOM 337 CE1 HIS A 22 -5.617 -3.009 -10.836 1.00 0.00 C flip ATOM 338 NE2 HIS A 22 -4.542 -3.092 -11.581 1.00 0.00 N flip ATOM 0 H HIS A 22 -1.524 -0.807 -6.943 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.674 0.117 -9.364 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.993 -2.162 -8.778 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.292 -2.224 -7.604 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -5.895 -2.355 -8.821 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.493 -2.638 -11.228 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.616 -3.280 -11.143 1.00 0.00 H new ATOM 347 N ALA A 23 -4.491 -0.014 -6.747 1.00 0.00 N ATOM 348 CA ALA A 23 -5.716 0.423 -6.148 1.00 0.00 C ATOM 349 C ALA A 23 -5.819 1.939 -6.221 1.00 0.00 C ATOM 350 O ALA A 23 -6.881 2.513 -6.377 1.00 0.00 O ATOM 351 CB ALA A 23 -5.681 -0.091 -4.734 1.00 0.00 C ATOM 0 H ALA A 23 -3.876 -0.505 -6.098 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.598 0.042 -6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.592 0.208 -4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.610 -1.179 -4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.816 0.325 -4.217 1.00 0.00 H new ATOM 357 N ALA A 24 -4.711 2.532 -6.172 1.00 0.00 N ATOM 358 CA ALA A 24 -4.570 3.918 -6.268 1.00 0.00 C ATOM 359 C ALA A 24 -4.759 4.378 -7.683 1.00 0.00 C ATOM 360 O ALA A 24 -5.493 5.323 -7.975 1.00 0.00 O ATOM 361 CB ALA A 24 -3.190 4.188 -5.886 1.00 0.00 C ATOM 0 H ALA A 24 -3.824 2.041 -6.057 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.304 4.428 -5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.002 5.260 -5.937 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.019 3.837 -4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.516 3.669 -6.567 1.00 0.00 H new ATOM 367 N GLN A 25 -4.074 3.699 -8.534 1.00 0.00 N ATOM 368 CA GLN A 25 -3.954 4.038 -9.901 1.00 0.00 C ATOM 369 C GLN A 25 -5.132 3.520 -10.724 1.00 0.00 C ATOM 370 O GLN A 25 -5.471 4.064 -11.781 1.00 0.00 O ATOM 371 CB GLN A 25 -2.672 3.430 -10.403 1.00 0.00 C ATOM 372 CG GLN A 25 -2.250 3.880 -11.730 1.00 0.00 C ATOM 373 CD GLN A 25 -1.371 2.856 -12.473 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.434 2.777 -13.695 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.482 2.126 -11.785 1.00 0.00 N ATOM 0 H GLN A 25 -3.560 2.855 -8.281 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.949 5.123 -10.006 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.878 3.655 -9.691 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.785 2.346 -10.423 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.134 4.093 -12.331 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.700 4.815 -11.630 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.439 2.200 -10.769 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.151 1.496 -12.278 1.00 0.00 H new ATOM 384 N CYS A 26 -5.728 2.492 -10.240 1.00 0.00 N ATOM 385 CA CYS A 26 -6.838 1.893 -10.841 1.00 0.00 C ATOM 386 C CYS A 26 -7.986 2.696 -10.350 1.00 0.00 C ATOM 387 O CYS A 26 -8.165 2.790 -9.142 1.00 0.00 O ATOM 388 CB CYS A 26 -7.000 0.418 -10.331 1.00 0.00 C ATOM 389 SG CYS A 26 -8.365 -0.520 -11.059 1.00 0.00 S ATOM 0 H CYS A 26 -5.435 2.034 -9.377 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.756 1.863 -11.927 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.071 -0.118 -10.526 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.135 0.440 -9.250 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.102 -1.791 -10.991 1.00 0.00 H new ATOM 395 N ARG A 27 -8.768 3.279 -11.185 1.00 0.00 N ATOM 396 CA ARG A 27 -9.822 4.018 -10.635 1.00 0.00 C ATOM 397 C ARG A 27 -11.075 3.665 -11.292 1.00 0.00 C ATOM 398 O ARG A 27 -11.515 4.190 -12.298 1.00 0.00 O ATOM 399 CB ARG A 27 -9.501 5.537 -10.425 1.00 0.00 C ATOM 400 CG ARG A 27 -8.814 6.288 -11.572 1.00 0.00 C ATOM 401 CD ARG A 27 -9.744 6.533 -12.716 1.00 0.00 C ATOM 402 NE ARG A 27 -10.911 7.319 -12.303 1.00 0.00 N ATOM 403 CZ ARG A 27 -11.978 7.540 -13.063 1.00 0.00 C ATOM 404 NH1 ARG A 27 -11.967 7.176 -14.338 1.00 0.00 N ATOM 405 NH2 ARG A 27 -13.036 8.157 -12.560 1.00 0.00 N ATOM 0 H ARG A 27 -8.699 3.258 -12.202 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.966 3.725 -9.595 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.437 6.049 -10.202 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.870 5.627 -9.541 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.432 7.241 -11.205 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.956 5.713 -11.919 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.214 7.058 -13.511 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.074 5.579 -13.128 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.903 7.724 -11.367 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.141 6.727 -14.733 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.785 7.345 -14.924 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.033 8.464 -11.587 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.854 8.326 -13.145 1.00 0.00 H new ATOM 419 N ASN A 28 -11.543 2.632 -10.745 1.00 0.00 N ATOM 420 CA ASN A 28 -12.730 2.000 -11.040 1.00 0.00 C ATOM 421 C ASN A 28 -13.196 1.494 -9.698 1.00 0.00 C ATOM 422 O ASN A 28 -12.530 0.605 -9.149 1.00 0.00 O ATOM 423 CB ASN A 28 -12.324 0.853 -11.899 1.00 0.00 C ATOM 424 CG ASN A 28 -13.402 0.170 -12.636 1.00 0.00 C ATOM 425 OD1 ASN A 28 -14.577 0.212 -12.266 1.00 0.00 O ATOM 426 ND2 ASN A 28 -13.000 -0.550 -13.637 1.00 0.00 N ATOM 0 H ASN A 28 -11.040 2.160 -9.994 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.497 2.600 -11.530 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.590 1.211 -12.621 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.821 0.118 -11.271 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -13.669 -1.117 -14.159 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.015 -0.549 -13.903 1.00 0.00 H new ATOM 433 N ALA A 29 -14.213 2.037 -9.103 1.00 0.00 N ATOM 434 CA ALA A 29 -14.582 1.550 -7.778 1.00 0.00 C ATOM 435 C ALA A 29 -15.275 0.200 -7.859 1.00 0.00 C ATOM 436 O ALA A 29 -15.347 -0.533 -6.893 1.00 0.00 O ATOM 437 CB ALA A 29 -15.406 2.562 -7.014 1.00 0.00 C ATOM 0 H ALA A 29 -14.792 2.787 -9.480 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.659 1.409 -7.215 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.659 2.159 -6.033 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.832 3.481 -6.892 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.321 2.777 -7.565 1.00 0.00 H new ATOM 443 N ASN A 30 -15.729 -0.132 -9.031 1.00 0.00 N ATOM 444 CA ASN A 30 -16.418 -1.368 -9.281 1.00 0.00 C ATOM 445 C ASN A 30 -15.643 -2.192 -10.247 1.00 0.00 C ATOM 446 O ASN A 30 -16.227 -2.949 -11.044 1.00 0.00 O ATOM 447 CB ASN A 30 -17.809 -1.100 -9.826 1.00 0.00 C ATOM 448 CG ASN A 30 -18.785 -0.489 -8.818 1.00 0.00 C ATOM 449 OD1 ASN A 30 -19.478 -1.213 -8.096 1.00 0.00 O ATOM 450 ND2 ASN A 30 -18.892 0.830 -8.771 1.00 0.00 N ATOM 0 H ASN A 30 -15.630 0.458 -9.857 1.00 0.00 H new ATOM 0 HA ASN A 30 -16.513 -1.912 -8.341 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.726 -0.431 -10.682 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -18.227 -2.037 -10.193 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -19.556 1.265 -8.130 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -18.311 1.411 -9.375 1.00 0.00 H new ATOM 457 N CYS A 31 -14.325 -2.055 -10.200 1.00 0.00 N ATOM 458 CA CYS A 31 -13.490 -3.037 -10.823 1.00 0.00 C ATOM 459 C CYS A 31 -13.830 -4.199 -10.082 1.00 0.00 C ATOM 460 O CYS A 31 -13.820 -4.089 -8.820 1.00 0.00 O ATOM 461 CB CYS A 31 -12.013 -2.809 -10.483 1.00 0.00 C ATOM 462 SG CYS A 31 -10.903 -4.068 -11.140 1.00 0.00 S ATOM 0 H CYS A 31 -13.832 -1.287 -9.745 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.619 -3.052 -11.905 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.709 -1.836 -10.868 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.902 -2.772 -9.399 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.680 -3.787 -10.802 1.00 0.00 H new ATOM 468 N SER A 32 -14.113 -5.330 -10.665 1.00 0.00 N ATOM 469 CA SER A 32 -14.299 -6.206 -9.705 1.00 0.00 C ATOM 470 C SER A 32 -13.081 -7.023 -9.736 1.00 0.00 C ATOM 471 O SER A 32 -12.955 -8.022 -10.436 1.00 0.00 O ATOM 472 CB SER A 32 -15.557 -7.064 -10.027 1.00 0.00 C ATOM 473 OG SER A 32 -15.482 -7.629 -11.329 1.00 0.00 O ATOM 0 H SER A 32 -14.197 -5.586 -11.649 1.00 0.00 H new ATOM 0 HA SER A 32 -14.466 -5.756 -8.726 1.00 0.00 H new ATOM 0 HB2 SER A 32 -15.655 -7.860 -9.289 1.00 0.00 H new ATOM 0 HB3 SER A 32 -16.451 -6.445 -9.949 1.00 0.00 H new ATOM 0 HG SER A 32 -14.572 -7.953 -11.493 1.00 0.00 H new ATOM 479 N LEU A 33 -12.126 -6.475 -9.090 1.00 0.00 N ATOM 480 CA LEU A 33 -11.230 -6.968 -8.344 1.00 0.00 C ATOM 481 C LEU A 33 -11.561 -6.355 -6.990 1.00 0.00 C ATOM 482 O LEU A 33 -11.150 -5.252 -6.745 1.00 0.00 O ATOM 483 CB LEU A 33 -9.882 -6.656 -8.918 1.00 0.00 C ATOM 484 CG LEU A 33 -8.747 -7.097 -8.122 1.00 0.00 C ATOM 485 CD1 LEU A 33 -9.041 -8.316 -7.357 1.00 0.00 C ATOM 486 CD2 LEU A 33 -7.593 -7.298 -8.956 1.00 0.00 C ATOM 0 H LEU A 33 -12.011 -5.463 -9.144 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.203 -8.054 -8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.812 -7.113 -9.905 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.807 -5.578 -9.060 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.536 -6.306 -7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.162 -8.604 -6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.875 -8.129 -6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.305 -9.121 -8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.754 -7.628 -8.343 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.814 -8.057 -9.707 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.335 -6.362 -9.451 1.00 0.00 H new ATOM 498 N PRO A 34 -12.445 -6.909 -6.222 1.00 0.00 N ATOM 499 CA PRO A 34 -12.716 -6.461 -4.840 1.00 0.00 C ATOM 500 C PRO A 34 -11.537 -6.507 -3.987 1.00 0.00 C ATOM 501 O PRO A 34 -11.497 -5.888 -2.966 1.00 0.00 O ATOM 502 CB PRO A 34 -13.764 -7.400 -4.396 1.00 0.00 C ATOM 503 CG PRO A 34 -14.514 -7.544 -5.668 1.00 0.00 C ATOM 504 CD PRO A 34 -13.429 -7.816 -6.659 1.00 0.00 C ATOM 0 HA PRO A 34 -13.021 -5.416 -4.788 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.356 -8.346 -4.040 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.377 -6.994 -3.591 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -15.235 -8.360 -5.623 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.071 -6.640 -5.915 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.085 -8.850 -6.623 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.746 -7.621 -7.684 1.00 0.00 H new ATOM 512 N SER A 35 -10.585 -7.223 -4.407 1.00 0.00 N ATOM 513 CA SER A 35 -9.345 -7.150 -3.784 1.00 0.00 C ATOM 514 C SER A 35 -8.587 -5.838 -4.218 1.00 0.00 C ATOM 515 O SER A 35 -7.860 -5.241 -3.402 1.00 0.00 O ATOM 516 CB SER A 35 -8.587 -8.456 -3.900 1.00 0.00 C ATOM 517 OG SER A 35 -9.212 -9.439 -3.092 1.00 0.00 O ATOM 0 H SER A 35 -10.644 -7.874 -5.190 1.00 0.00 H new ATOM 0 HA SER A 35 -9.465 -7.039 -2.706 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.565 -8.785 -4.939 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.552 -8.317 -3.587 1.00 0.00 H new ATOM 0 HG SER A 35 -8.723 -10.285 -3.168 1.00 0.00 H new ATOM 523 N CYS A 36 -8.861 -5.301 -5.482 1.00 0.00 N ATOM 524 CA CYS A 36 -8.361 -4.011 -5.819 1.00 0.00 C ATOM 525 C CYS A 36 -9.100 -3.056 -4.935 1.00 0.00 C ATOM 526 O CYS A 36 -8.499 -2.261 -4.244 1.00 0.00 O ATOM 527 CB CYS A 36 -8.596 -3.568 -7.300 1.00 0.00 C ATOM 528 SG CYS A 36 -7.993 -1.919 -7.661 1.00 0.00 S ATOM 0 H CYS A 36 -9.405 -5.764 -6.210 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.279 -4.028 -5.689 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.105 -4.279 -7.965 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.663 -3.611 -7.518 1.00 0.00 H new ATOM 0 HG CYS A 36 -8.225 -1.635 -8.908 1.00 0.00 H new ATOM 534 N GLN A 37 -10.456 -3.239 -4.939 1.00 0.00 N ATOM 535 CA GLN A 37 -11.444 -2.483 -4.147 1.00 0.00 C ATOM 536 C GLN A 37 -11.018 -2.330 -2.814 1.00 0.00 C ATOM 537 O GLN A 37 -11.014 -1.268 -2.305 1.00 0.00 O ATOM 538 CB GLN A 37 -12.840 -3.116 -4.135 1.00 0.00 C ATOM 539 CG GLN A 37 -13.558 -3.223 -5.521 1.00 0.00 C ATOM 540 CD GLN A 37 -14.987 -3.717 -5.381 1.00 0.00 C ATOM 541 OE1 GLN A 37 -15.310 -4.477 -4.484 1.00 0.00 O ATOM 542 NE2 GLN A 37 -15.846 -3.259 -6.237 1.00 0.00 N ATOM 0 H GLN A 37 -10.895 -3.950 -5.523 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.517 -1.515 -4.642 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.759 -4.117 -3.712 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.474 -2.537 -3.464 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.557 -2.247 -6.007 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.001 -3.901 -6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -15.542 -2.625 -6.975 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.826 -3.533 -6.172 1.00 0.00 H new ATOM 551 N LYS A 38 -10.659 -3.357 -2.284 1.00 0.00 N ATOM 552 CA LYS A 38 -10.248 -3.423 -1.008 1.00 0.00 C ATOM 553 C LYS A 38 -9.029 -2.548 -0.677 1.00 0.00 C ATOM 554 O LYS A 38 -9.039 -1.803 0.274 1.00 0.00 O ATOM 555 CB LYS A 38 -9.942 -4.770 -0.772 1.00 0.00 C ATOM 556 CG LYS A 38 -9.048 -4.932 0.318 1.00 0.00 C ATOM 557 CD LYS A 38 -9.407 -6.022 1.135 1.00 0.00 C ATOM 558 CE LYS A 38 -9.360 -7.315 0.367 1.00 0.00 C ATOM 559 NZ LYS A 38 -9.796 -8.477 1.169 1.00 0.00 N ATOM 0 H LYS A 38 -10.640 -4.256 -2.766 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.043 -3.037 -0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.861 -5.320 -0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.501 -5.204 -1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.037 -5.080 -0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.034 -4.020 0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.732 -6.078 1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.410 -5.868 1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.994 -7.231 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.343 -7.485 0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.479 -9.355 0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.382 -8.416 2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.833 -8.479 1.242 1.00 0.00 H new ATOM 573 N MET A 39 -7.989 -2.707 -1.443 1.00 0.00 N ATOM 574 CA MET A 39 -6.738 -1.986 -1.204 1.00 0.00 C ATOM 575 C MET A 39 -6.961 -0.523 -1.379 1.00 0.00 C ATOM 576 O MET A 39 -6.435 0.329 -0.682 1.00 0.00 O ATOM 577 CB MET A 39 -5.720 -2.386 -2.224 1.00 0.00 C ATOM 578 CG MET A 39 -4.937 -3.584 -1.906 1.00 0.00 C ATOM 579 SD MET A 39 -3.391 -3.303 -1.006 1.00 0.00 S ATOM 580 CE MET A 39 -3.904 -2.280 0.327 1.00 0.00 C ATOM 0 H MET A 39 -7.967 -3.331 -2.249 1.00 0.00 H new ATOM 0 HA MET A 39 -6.399 -2.218 -0.195 1.00 0.00 H new ATOM 0 HB2 MET A 39 -6.229 -2.549 -3.174 1.00 0.00 H new ATOM 0 HB3 MET A 39 -5.032 -1.553 -2.370 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.561 -4.256 -1.317 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.704 -4.100 -2.837 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.048 -2.053 0.962 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.321 -1.352 -0.066 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.663 -2.799 0.913 1.00 0.00 H new ATOM 590 N LYS A 40 -7.690 -0.306 -2.366 1.00 0.00 N ATOM 591 CA LYS A 40 -8.186 0.923 -2.833 1.00 0.00 C ATOM 592 C LYS A 40 -8.942 1.575 -1.691 1.00 0.00 C ATOM 593 O LYS A 40 -8.693 2.659 -1.342 1.00 0.00 O ATOM 594 CB LYS A 40 -9.147 0.521 -3.839 1.00 0.00 C ATOM 595 CG LYS A 40 -9.207 1.252 -5.051 1.00 0.00 C ATOM 596 CD LYS A 40 -10.172 0.531 -5.944 1.00 0.00 C ATOM 597 CE LYS A 40 -9.887 0.759 -7.358 1.00 0.00 C ATOM 598 NZ LYS A 40 -10.328 2.067 -7.776 1.00 0.00 N ATOM 0 H LYS A 40 -8.004 -1.077 -2.955 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.421 1.606 -3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.947 -0.521 -4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.137 0.554 -3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.538 2.275 -4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.223 1.313 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.131 -0.538 -5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.187 0.860 -5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.816 0.659 -7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.382 -0.004 -7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.633 2.474 -8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.249 1.987 -8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.421 2.684 -6.944 1.00 0.00 H new ATOM 612 N ARG A 41 -9.804 0.765 -1.073 1.00 0.00 N ATOM 613 CA ARG A 41 -10.627 1.042 0.142 1.00 0.00 C ATOM 614 C ARG A 41 -9.799 1.191 1.294 1.00 0.00 C ATOM 615 O ARG A 41 -10.267 1.539 2.340 1.00 0.00 O ATOM 616 CB ARG A 41 -11.526 -0.084 0.407 1.00 0.00 C ATOM 617 CG ARG A 41 -12.829 0.000 -0.320 1.00 0.00 C ATOM 618 CD ARG A 41 -13.721 -1.078 0.135 1.00 0.00 C ATOM 619 NE ARG A 41 -14.915 -1.191 -0.703 1.00 0.00 N ATOM 620 CZ ARG A 41 -15.696 -2.271 -0.799 1.00 0.00 C ATOM 621 NH1 ARG A 41 -15.491 -3.329 -0.021 1.00 0.00 N ATOM 622 NH2 ARG A 41 -16.701 -2.283 -1.663 1.00 0.00 N ATOM 0 H ARG A 41 -9.969 -0.179 -1.423 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.186 1.959 -0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.024 -1.011 0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.721 -0.137 1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.294 0.970 -0.142 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.663 -0.081 -1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.180 -2.024 0.125 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.018 -0.891 1.167 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.173 -0.377 -1.261 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.731 -3.322 0.659 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.094 -4.147 -0.104 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.877 -1.469 -2.252 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.299 -3.106 -1.739 1.00 0.00 H new ATOM 636 N VAL A 42 -8.596 0.805 1.149 1.00 0.00 N ATOM 637 CA VAL A 42 -7.666 0.966 2.106 1.00 0.00 C ATOM 638 C VAL A 42 -6.952 2.296 2.022 1.00 0.00 C ATOM 639 O VAL A 42 -6.822 3.002 3.032 1.00 0.00 O ATOM 640 CB VAL A 42 -6.919 -0.308 2.451 1.00 0.00 C ATOM 641 CG1 VAL A 42 -5.529 -0.033 2.904 1.00 0.00 C ATOM 642 CG2 VAL A 42 -7.682 -0.822 3.587 1.00 0.00 C ATOM 0 H VAL A 42 -8.249 0.349 0.305 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.153 1.109 3.070 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.839 -0.981 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.031 -0.973 3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.982 0.478 2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.554 0.598 3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.236 -1.754 3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.668 -0.091 4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.712 -1.005 3.281 1.00 0.00 H new ATOM 652 N VAL A 43 -6.596 2.678 0.800 1.00 0.00 N ATOM 653 CA VAL A 43 -6.253 4.020 0.439 1.00 0.00 C ATOM 654 C VAL A 43 -7.359 4.901 0.882 1.00 0.00 C ATOM 655 O VAL A 43 -7.180 5.868 1.612 1.00 0.00 O ATOM 656 CB VAL A 43 -6.123 4.075 -1.102 1.00 0.00 C ATOM 657 CG1 VAL A 43 -6.060 5.487 -1.578 1.00 0.00 C ATOM 658 CG2 VAL A 43 -4.919 3.176 -1.650 1.00 0.00 C ATOM 0 H VAL A 43 -6.541 2.027 0.017 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.318 4.339 0.900 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.025 3.632 -1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.969 5.501 -2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.969 6.011 -1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.196 5.982 -1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.874 3.252 -2.736 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.980 3.526 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.082 2.137 -1.365 1.00 0.00 H new ATOM 668 N GLN A 44 -8.483 4.504 0.523 1.00 0.00 N ATOM 669 CA GLN A 44 -9.638 5.194 0.797 1.00 0.00 C ATOM 670 C GLN A 44 -10.015 5.086 2.293 1.00 0.00 C ATOM 671 O GLN A 44 -10.677 5.989 2.836 1.00 0.00 O ATOM 672 CB GLN A 44 -10.702 4.729 -0.172 1.00 0.00 C ATOM 673 CG GLN A 44 -10.304 5.065 -1.607 1.00 0.00 C ATOM 674 CD GLN A 44 -10.527 6.517 -1.983 1.00 0.00 C ATOM 675 OE1 GLN A 44 -11.602 6.896 -2.448 1.00 0.00 O ATOM 676 NE2 GLN A 44 -9.521 7.332 -1.815 1.00 0.00 N ATOM 0 H GLN A 44 -8.632 3.641 0.001 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.509 6.265 0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.848 3.654 -0.072 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.653 5.204 0.068 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.251 4.821 -1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.872 4.432 -2.289 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.643 6.986 -1.427 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.613 8.315 -2.072 1.00 0.00 H new ATOM 685 N HIS A 45 -9.517 4.015 2.989 1.00 0.00 N ATOM 686 CA HIS A 45 -9.814 3.850 4.424 1.00 0.00 C ATOM 687 C HIS A 45 -9.137 4.865 5.141 1.00 0.00 C ATOM 688 O HIS A 45 -9.759 5.617 5.841 1.00 0.00 O ATOM 689 CB HIS A 45 -9.460 2.476 5.055 1.00 0.00 C ATOM 690 CG HIS A 45 -9.863 2.322 6.518 1.00 0.00 C ATOM 691 ND1 HIS A 45 -9.030 2.632 7.579 1.00 0.00 N ATOM 692 CD2 HIS A 45 -11.011 1.866 7.078 1.00 0.00 C ATOM 693 CE1 HIS A 45 -9.649 2.370 8.712 1.00 0.00 C ATOM 694 NE2 HIS A 45 -10.845 1.907 8.437 1.00 0.00 N ATOM 0 H HIS A 45 -8.930 3.285 2.585 1.00 0.00 H new ATOM 0 HA HIS A 45 -10.900 3.917 4.496 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -9.943 1.690 4.475 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -8.385 2.319 4.970 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -8.084 3.005 7.497 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -11.892 1.532 6.550 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -9.240 2.513 9.701 1.00 0.00 H new ATOM 703 N THR A 46 -7.860 4.889 4.943 1.00 0.00 N ATOM 704 CA THR A 46 -7.020 5.824 5.598 1.00 0.00 C ATOM 705 C THR A 46 -7.564 7.208 5.404 1.00 0.00 C ATOM 706 O THR A 46 -7.940 7.840 6.332 1.00 0.00 O ATOM 707 CB THR A 46 -5.485 5.687 5.161 1.00 0.00 C ATOM 708 OG1 THR A 46 -4.605 6.289 6.076 1.00 0.00 O ATOM 709 CG2 THR A 46 -5.124 6.278 3.856 1.00 0.00 C ATOM 0 H THR A 46 -7.370 4.252 4.315 1.00 0.00 H new ATOM 0 HA THR A 46 -7.024 5.605 6.666 1.00 0.00 H new ATOM 0 HB THR A 46 -5.381 4.603 5.113 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.702 5.931 5.945 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.061 6.124 3.668 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.705 5.800 3.067 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.339 7.347 3.869 1.00 0.00 H new ATOM 717 N LYS A 47 -7.728 7.608 4.205 1.00 0.00 N ATOM 718 CA LYS A 47 -8.015 8.973 3.884 1.00 0.00 C ATOM 719 C LYS A 47 -9.315 9.489 4.434 1.00 0.00 C ATOM 720 O LYS A 47 -9.381 10.642 4.850 1.00 0.00 O ATOM 721 CB LYS A 47 -7.989 9.090 2.466 1.00 0.00 C ATOM 722 CG LYS A 47 -6.581 8.777 1.876 1.00 0.00 C ATOM 723 CD LYS A 47 -6.565 8.688 0.362 1.00 0.00 C ATOM 724 CE LYS A 47 -7.278 9.828 -0.186 1.00 0.00 C ATOM 725 NZ LYS A 47 -6.942 10.143 -1.584 1.00 0.00 N ATOM 0 H LYS A 47 -7.668 6.994 3.393 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.256 9.593 4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.722 8.409 2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.284 10.100 2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.882 9.551 2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.223 7.835 2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.538 8.675 -0.004 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.032 7.759 0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.349 9.638 -0.117 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.069 10.702 0.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.494 10.967 -1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.927 10.358 -1.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.168 9.327 -2.188 1.00 0.00 H new ATOM 739 N GLY A 48 -10.336 8.672 4.450 1.00 0.00 N ATOM 740 CA GLY A 48 -11.545 9.141 5.071 1.00 0.00 C ATOM 741 C GLY A 48 -11.435 9.015 6.578 1.00 0.00 C ATOM 742 O GLY A 48 -12.208 9.607 7.334 1.00 0.00 O ATOM 0 H GLY A 48 -10.359 7.729 4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.725 10.180 4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.397 8.564 4.711 1.00 0.00 H new ATOM 746 N CYS A 49 -10.494 8.215 7.006 1.00 0.00 N ATOM 747 CA CYS A 49 -10.263 7.980 8.420 1.00 0.00 C ATOM 748 C CYS A 49 -9.113 8.808 8.953 1.00 0.00 C ATOM 749 O CYS A 49 -8.152 8.230 9.175 1.00 0.00 O ATOM 750 CB CYS A 49 -9.998 6.456 8.706 1.00 0.00 C ATOM 751 SG CYS A 49 -11.417 5.405 8.336 1.00 0.00 S ATOM 0 H CYS A 49 -9.862 7.704 6.389 1.00 0.00 H new ATOM 0 HA CYS A 49 -11.171 8.287 8.939 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -9.145 6.125 8.114 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.726 6.332 9.754 1.00 0.00 H new ATOM 0 HG CYS A 49 -11.314 4.948 7.123 1.00 0.00 H new ATOM 757 N LYS A 50 -9.188 10.143 9.234 1.00 0.00 N ATOM 758 CA LYS A 50 -7.901 10.878 9.662 1.00 0.00 C ATOM 759 C LYS A 50 -7.373 10.416 11.014 1.00 0.00 C ATOM 760 O LYS A 50 -6.174 10.678 11.473 1.00 0.00 O ATOM 761 CB LYS A 50 -7.975 12.334 9.584 1.00 0.00 C ATOM 762 CG LYS A 50 -6.614 12.944 9.343 1.00 0.00 C ATOM 763 CD LYS A 50 -6.257 12.936 7.864 1.00 0.00 C ATOM 764 CE LYS A 50 -7.146 13.890 7.058 1.00 0.00 C ATOM 765 NZ LYS A 50 -6.945 15.308 7.452 1.00 0.00 N ATOM 0 H LYS A 50 -10.032 10.713 9.187 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.172 10.583 8.908 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.652 12.623 8.780 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.393 12.729 10.510 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.601 13.968 9.717 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.861 12.390 9.904 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.212 13.222 7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.359 11.925 7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.930 13.775 5.996 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.192 13.619 7.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.375 15.931 6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.392 15.479 8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.927 15.509 7.518 1.00 0.00 H new ATOM 779 N ARG A 51 -8.169 9.573 11.578 1.00 0.00 N ATOM 780 CA ARG A 51 -7.793 8.793 12.682 1.00 0.00 C ATOM 781 C ARG A 51 -6.630 7.869 12.314 1.00 0.00 C ATOM 782 O ARG A 51 -6.108 7.162 13.175 1.00 0.00 O ATOM 783 CB ARG A 51 -8.931 8.018 13.340 1.00 0.00 C ATOM 784 CG ARG A 51 -9.919 8.859 14.120 1.00 0.00 C ATOM 785 CD ARG A 51 -9.335 9.357 15.429 1.00 0.00 C ATOM 786 NE ARG A 51 -10.239 10.269 16.132 1.00 0.00 N ATOM 787 CZ ARG A 51 -10.298 10.409 17.463 1.00 0.00 C ATOM 788 NH1 ARG A 51 -9.670 9.541 18.256 1.00 0.00 N ATOM 789 NH2 ARG A 51 -11.033 11.370 17.994 1.00 0.00 N ATOM 0 H ARG A 51 -9.126 9.411 11.266 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.469 9.503 13.443 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.473 7.474 12.567 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.502 7.274 14.012 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.228 9.711 13.514 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.814 8.271 14.323 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.111 8.505 16.071 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.391 9.865 15.233 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.869 10.839 15.568 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.143 8.768 17.850 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.716 9.650 19.269 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.555 12.005 17.391 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.078 11.477 19.007 1.00 0.00 H new ATOM 803 N LYS A 52 -6.260 7.924 11.025 1.00 0.00 N ATOM 804 CA LYS A 52 -5.360 7.094 10.383 1.00 0.00 C ATOM 805 C LYS A 52 -4.184 6.795 11.209 1.00 0.00 C ATOM 806 O LYS A 52 -4.046 5.721 11.679 1.00 0.00 O ATOM 807 CB LYS A 52 -4.791 7.888 9.189 1.00 0.00 C ATOM 808 CG LYS A 52 -5.671 8.216 8.088 1.00 0.00 C ATOM 809 CD LYS A 52 -5.015 9.251 7.255 1.00 0.00 C ATOM 810 CE LYS A 52 -5.526 9.330 5.971 1.00 0.00 C ATOM 811 NZ LYS A 52 -4.926 10.442 5.238 1.00 0.00 N ATOM 0 H LYS A 52 -6.644 8.628 10.395 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.884 6.173 10.127 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.385 8.822 9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.953 7.320 8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.881 7.327 7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.627 8.581 8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.124 10.220 7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.947 9.040 7.200 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.336 8.396 5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.608 9.459 6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.582 10.764 4.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.732 11.226 5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.036 10.129 4.800 1.00 0.00 H new ATOM 825 N THR A 53 -3.334 7.704 11.377 1.00 0.00 N ATOM 826 CA THR A 53 -2.410 7.628 12.316 1.00 0.00 C ATOM 827 C THR A 53 -2.856 8.346 13.608 1.00 0.00 C ATOM 828 O THR A 53 -2.416 7.981 14.700 1.00 0.00 O ATOM 829 CB THR A 53 -1.090 8.023 11.715 1.00 0.00 C ATOM 830 OG1 THR A 53 -1.238 9.309 11.073 1.00 0.00 O ATOM 831 CG2 THR A 53 -0.756 6.951 10.655 1.00 0.00 C ATOM 0 H THR A 53 -3.292 8.553 10.814 1.00 0.00 H new ATOM 0 HA THR A 53 -2.266 6.608 12.673 1.00 0.00 H new ATOM 0 HB THR A 53 -0.304 8.092 12.467 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.382 9.578 10.678 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.198 7.189 10.184 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.690 5.974 11.134 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.540 6.932 9.898 1.00 0.00 H new ATOM 839 N ASN A 54 -3.808 9.380 13.481 1.00 0.00 N ATOM 840 CA ASN A 54 -4.130 10.243 14.639 1.00 0.00 C ATOM 841 C ASN A 54 -4.765 9.485 15.786 1.00 0.00 C ATOM 842 O ASN A 54 -4.513 9.776 16.951 1.00 0.00 O ATOM 843 CB ASN A 54 -4.995 11.435 14.216 1.00 0.00 C ATOM 844 CG ASN A 54 -5.455 12.310 15.380 1.00 0.00 C ATOM 845 OD1 ASN A 54 -4.726 13.177 15.832 1.00 0.00 O ATOM 846 ND2 ASN A 54 -6.690 12.157 15.800 1.00 0.00 N ATOM 0 H ASN A 54 -4.318 9.597 12.625 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.179 10.623 15.013 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.432 12.049 13.513 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.871 11.065 13.684 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.063 12.772 16.523 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.276 11.423 15.403 1.00 0.00 H new ATOM 853 N GLY A 55 -5.540 8.502 15.464 1.00 0.00 N ATOM 854 CA GLY A 55 -6.198 7.738 16.472 1.00 0.00 C ATOM 855 C GLY A 55 -5.516 6.426 16.692 1.00 0.00 C ATOM 856 O GLY A 55 -6.001 5.590 17.436 1.00 0.00 O ATOM 0 H GLY A 55 -5.734 8.208 14.507 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.216 8.302 17.405 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.235 7.567 16.183 1.00 0.00 H new ATOM 860 N GLY A 56 -4.375 6.253 16.057 1.00 0.00 N ATOM 861 CA GLY A 56 -3.654 5.034 16.164 1.00 0.00 C ATOM 862 C GLY A 56 -4.214 3.974 15.338 1.00 0.00 C ATOM 863 O GLY A 56 -4.267 2.808 15.767 1.00 0.00 O ATOM 0 H GLY A 56 -3.937 6.956 15.461 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.617 5.204 15.875 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.646 4.712 17.205 1.00 0.00 H new ATOM 867 N CYS A 57 -4.652 4.318 14.172 1.00 0.00 N ATOM 868 CA CYS A 57 -5.080 3.308 13.317 1.00 0.00 C ATOM 869 C CYS A 57 -3.787 2.714 12.623 1.00 0.00 C ATOM 870 O CYS A 57 -2.862 3.416 12.400 1.00 0.00 O ATOM 871 CB CYS A 57 -6.242 3.802 12.283 1.00 0.00 C ATOM 872 SG CYS A 57 -7.002 2.512 11.254 1.00 0.00 S ATOM 0 H CYS A 57 -4.715 5.271 13.813 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.581 2.515 13.872 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.029 4.288 12.859 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.815 4.558 11.624 1.00 0.00 H new ATOM 0 HG CYS A 57 -8.278 2.460 11.495 1.00 0.00 H new ATOM 878 N PRO A 58 -3.778 1.389 12.370 1.00 0.00 N ATOM 879 CA PRO A 58 -2.879 0.497 11.584 1.00 0.00 C ATOM 880 C PRO A 58 -3.416 0.738 10.247 1.00 0.00 C ATOM 881 O PRO A 58 -3.600 1.797 10.069 1.00 0.00 O ATOM 882 CB PRO A 58 -3.021 -0.785 12.120 1.00 0.00 C ATOM 883 CG PRO A 58 -4.457 -0.876 12.055 1.00 0.00 C ATOM 884 CD PRO A 58 -4.951 0.439 12.676 1.00 0.00 C ATOM 0 HA PRO A 58 -1.800 0.652 11.588 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.520 -1.551 11.528 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.636 -0.865 13.137 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.802 -0.984 11.027 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -4.826 -1.740 12.608 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.883 0.780 12.225 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.132 0.344 13.747 1.00 0.00 H new ATOM 892 N ILE A 59 -3.371 -0.114 9.248 1.00 0.00 N ATOM 893 CA ILE A 59 -3.403 0.035 7.803 1.00 0.00 C ATOM 894 C ILE A 59 -3.835 1.407 7.145 1.00 0.00 C ATOM 895 O ILE A 59 -3.856 1.516 6.006 1.00 0.00 O ATOM 896 CB ILE A 59 -4.729 -0.841 7.467 1.00 0.00 C ATOM 897 CG1 ILE A 59 -4.536 -1.628 6.196 1.00 0.00 C ATOM 898 CG2 ILE A 59 -6.072 -0.022 7.470 1.00 0.00 C ATOM 899 CD1 ILE A 59 -5.757 -2.335 5.766 1.00 0.00 C ATOM 0 H ILE A 59 -3.298 -1.106 9.473 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.394 -0.178 7.452 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.847 -1.542 8.294 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.215 -0.953 5.402 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.735 -2.353 6.342 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.904 -0.686 7.236 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.226 0.420 8.454 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.018 0.769 6.722 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.555 -2.883 4.846 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.066 -3.033 6.544 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.553 -1.612 5.590 1.00 0.00 H new ATOM 911 N CYS A 60 -4.229 2.329 7.883 1.00 0.00 N ATOM 912 CA CYS A 60 -4.096 3.707 7.527 1.00 0.00 C ATOM 913 C CYS A 60 -2.631 4.034 7.727 1.00 0.00 C ATOM 914 O CYS A 60 -2.001 4.636 6.888 1.00 0.00 O ATOM 915 CB CYS A 60 -4.825 4.633 8.463 1.00 0.00 C ATOM 916 SG CYS A 60 -6.614 4.396 8.555 1.00 0.00 S ATOM 0 H CYS A 60 -4.672 2.175 8.789 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.488 3.840 6.519 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.408 4.513 9.463 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.627 5.660 8.157 1.00 0.00 H new ATOM 0 HG CYS A 60 -6.932 3.943 9.731 1.00 0.00 H new ATOM 922 N LYS A 61 -2.133 3.624 8.897 1.00 0.00 N ATOM 923 CA LYS A 61 -0.776 3.736 9.281 1.00 0.00 C ATOM 924 C LYS A 61 -0.046 2.759 8.564 1.00 0.00 C ATOM 925 O LYS A 61 0.985 3.065 8.031 1.00 0.00 O ATOM 926 CB LYS A 61 -0.619 3.430 10.704 1.00 0.00 C ATOM 927 CG LYS A 61 0.729 3.678 11.246 1.00 0.00 C ATOM 928 CD LYS A 61 0.896 2.869 12.460 1.00 0.00 C ATOM 929 CE LYS A 61 -0.252 2.984 13.476 1.00 0.00 C ATOM 930 NZ LYS A 61 0.140 2.422 14.784 1.00 0.00 N ATOM 0 H LYS A 61 -2.714 3.190 9.614 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.428 4.749 9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.337 4.023 11.270 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.873 2.382 10.866 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.488 3.417 10.509 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.857 4.736 11.475 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.003 1.824 12.171 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.825 3.161 12.949 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.533 4.030 13.595 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.130 2.459 13.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.652 2.512 15.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.385 1.418 14.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.963 2.940 15.152 1.00 0.00 H new ATOM 944 N GLN A 62 -0.584 1.546 8.491 1.00 0.00 N ATOM 945 CA GLN A 62 0.193 0.555 7.780 1.00 0.00 C ATOM 946 C GLN A 62 0.153 0.766 6.294 1.00 0.00 C ATOM 947 O GLN A 62 0.978 0.270 5.572 1.00 0.00 O ATOM 948 CB GLN A 62 -0.004 -0.876 8.268 1.00 0.00 C ATOM 949 CG GLN A 62 0.209 -0.951 9.800 1.00 0.00 C ATOM 950 CD GLN A 62 0.542 -2.307 10.506 1.00 0.00 C ATOM 951 OE1 GLN A 62 0.033 -2.508 11.627 1.00 0.00 O ATOM 952 NE2 GLN A 62 1.527 -3.107 10.078 1.00 0.00 N ATOM 0 H GLN A 62 -1.478 1.247 8.880 1.00 0.00 H new ATOM 0 HA GLN A 62 1.236 0.725 8.048 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.007 -1.220 8.015 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.697 -1.540 7.763 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.015 -0.259 10.044 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.696 -0.563 10.267 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.950 -2.951 9.163 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.855 -3.873 10.667 1.00 0.00 H new ATOM 961 N LEU A 63 -0.789 1.541 5.862 1.00 0.00 N ATOM 962 CA LEU A 63 -0.800 2.015 4.535 1.00 0.00 C ATOM 963 C LEU A 63 0.045 3.263 4.324 1.00 0.00 C ATOM 964 O LEU A 63 0.682 3.329 3.374 1.00 0.00 O ATOM 965 CB LEU A 63 -2.128 2.160 4.051 1.00 0.00 C ATOM 966 CG LEU A 63 -2.402 3.076 2.972 1.00 0.00 C ATOM 967 CD1 LEU A 63 -1.692 2.684 1.737 1.00 0.00 C ATOM 968 CD2 LEU A 63 -3.777 2.982 2.770 1.00 0.00 C ATOM 0 H LEU A 63 -1.573 1.859 6.432 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.314 1.249 3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.468 1.174 3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.751 2.456 4.895 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.072 4.086 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.921 3.396 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.618 2.679 1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.013 1.687 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.072 3.650 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.037 1.957 2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.299 3.265 3.684 1.00 0.00 H new ATOM 980 N ILE A 64 -0.014 4.288 5.178 1.00 0.00 N ATOM 981 CA ILE A 64 0.992 5.375 5.117 1.00 0.00 C ATOM 982 C ILE A 64 2.345 4.747 5.071 1.00 0.00 C ATOM 983 O ILE A 64 3.185 5.171 4.339 1.00 0.00 O ATOM 984 CB ILE A 64 0.921 6.302 6.363 1.00 0.00 C ATOM 985 CG1 ILE A 64 -0.195 7.359 6.280 1.00 0.00 C ATOM 986 CG2 ILE A 64 2.283 6.806 6.859 1.00 0.00 C ATOM 987 CD1 ILE A 64 -0.178 8.396 7.381 1.00 0.00 C ATOM 0 H ILE A 64 -0.722 4.397 5.904 1.00 0.00 H new ATOM 0 HA ILE A 64 0.794 5.982 4.234 1.00 0.00 H new ATOM 0 HB ILE A 64 0.601 5.658 7.182 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.120 7.869 5.320 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.159 6.850 6.296 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.139 7.445 7.730 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.908 5.956 7.132 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.770 7.376 6.068 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.002 9.095 7.235 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.287 7.903 8.347 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.767 8.938 7.355 1.00 0.00 H new ATOM 999 N ALA A 65 2.505 3.750 5.877 1.00 0.00 N ATOM 1000 CA ALA A 65 3.645 2.947 5.870 1.00 0.00 C ATOM 1001 C ALA A 65 3.852 2.415 4.470 1.00 0.00 C ATOM 1002 O ALA A 65 4.805 2.765 3.799 1.00 0.00 O ATOM 1003 CB ALA A 65 3.428 1.806 6.804 1.00 0.00 C ATOM 0 H ALA A 65 1.813 3.477 6.575 1.00 0.00 H new ATOM 0 HA ALA A 65 4.519 3.520 6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.312 1.168 6.810 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.249 2.188 7.809 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.564 1.227 6.477 1.00 0.00 H new ATOM 1009 N LEU A 66 2.889 1.642 4.031 1.00 0.00 N ATOM 1010 CA LEU A 66 2.886 1.038 2.762 1.00 0.00 C ATOM 1011 C LEU A 66 3.193 2.015 1.599 1.00 0.00 C ATOM 1012 O LEU A 66 4.100 1.790 0.775 1.00 0.00 O ATOM 1013 CB LEU A 66 1.573 0.370 2.563 1.00 0.00 C ATOM 1014 CG LEU A 66 1.445 -0.280 1.288 1.00 0.00 C ATOM 1015 CD1 LEU A 66 2.331 -1.385 1.180 1.00 0.00 C ATOM 1016 CD2 LEU A 66 0.096 -0.688 1.077 1.00 0.00 C ATOM 0 H LEU A 66 2.062 1.421 4.586 1.00 0.00 H new ATOM 0 HA LEU A 66 3.698 0.312 2.740 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.426 -0.366 3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.779 1.110 2.665 1.00 0.00 H new ATOM 0 HG LEU A 66 1.718 0.435 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.209 -1.855 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.359 -1.039 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.106 -2.110 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.012 -1.179 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.201 -1.383 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.556 0.185 1.099 1.00 0.00 H new ATOM 1028 N ALA A 67 2.468 3.099 1.596 1.00 0.00 N ATOM 1029 CA ALA A 67 2.513 4.116 0.650 1.00 0.00 C ATOM 1030 C ALA A 67 3.828 4.848 0.686 1.00 0.00 C ATOM 1031 O ALA A 67 4.553 4.869 -0.305 1.00 0.00 O ATOM 1032 CB ALA A 67 1.366 5.062 0.916 1.00 0.00 C ATOM 0 H ALA A 67 1.782 3.284 2.328 1.00 0.00 H new ATOM 0 HA ALA A 67 2.421 3.685 -0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.383 5.869 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.423 4.521 0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.464 5.479 1.918 1.00 0.00 H new ATOM 1038 N ALA A 68 4.130 5.430 1.830 1.00 0.00 N ATOM 1039 CA ALA A 68 5.320 6.246 2.030 1.00 0.00 C ATOM 1040 C ALA A 68 6.580 5.531 1.900 1.00 0.00 C ATOM 1041 O ALA A 68 7.536 6.063 1.386 1.00 0.00 O ATOM 1042 CB ALA A 68 5.340 6.913 3.351 1.00 0.00 C ATOM 0 H ALA A 68 3.548 5.350 2.664 1.00 0.00 H new ATOM 0 HA ALA A 68 5.244 6.975 1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.249 7.507 3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.470 7.563 3.443 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.315 6.160 4.139 1.00 0.00 H new ATOM 1048 N TYR A 69 6.630 4.368 2.391 1.00 0.00 N ATOM 1049 CA TYR A 69 7.807 3.658 2.367 1.00 0.00 C ATOM 1050 C TYR A 69 8.028 3.080 1.007 1.00 0.00 C ATOM 1051 O TYR A 69 9.164 2.796 0.615 1.00 0.00 O ATOM 1052 CB TYR A 69 7.764 2.664 3.437 1.00 0.00 C ATOM 1053 CG TYR A 69 7.696 3.242 4.848 1.00 0.00 C ATOM 1054 CD1 TYR A 69 8.316 4.431 5.181 1.00 0.00 C ATOM 1055 CD2 TYR A 69 7.026 2.572 5.832 1.00 0.00 C ATOM 1056 CE1 TYR A 69 8.266 4.937 6.457 1.00 0.00 C ATOM 1057 CE2 TYR A 69 6.962 3.068 7.127 1.00 0.00 C ATOM 1058 CZ TYR A 69 7.590 4.259 7.426 1.00 0.00 C ATOM 1059 OH TYR A 69 7.546 4.769 8.708 1.00 0.00 O ATOM 0 H TYR A 69 5.842 3.886 2.823 1.00 0.00 H new ATOM 0 HA TYR A 69 8.667 4.300 2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.898 2.021 3.281 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.648 2.031 3.361 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.853 4.976 4.419 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.537 1.638 5.598 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.760 5.868 6.691 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.426 2.527 7.893 1.00 0.00 H new ATOM 0 HH TYR A 69 7.025 4.169 9.281 1.00 0.00 H new ATOM 1069 N HIS A 70 6.949 2.927 0.270 1.00 0.00 N ATOM 1070 CA HIS A 70 7.097 2.620 -1.143 1.00 0.00 C ATOM 1071 C HIS A 70 7.650 3.840 -1.786 1.00 0.00 C ATOM 1072 O HIS A 70 8.606 3.782 -2.481 1.00 0.00 O ATOM 1073 CB HIS A 70 5.788 2.361 -1.903 1.00 0.00 C ATOM 1074 CG HIS A 70 6.045 1.906 -3.318 1.00 0.00 C ATOM 1075 ND1 HIS A 70 5.300 2.310 -4.411 1.00 0.00 N ATOM 1076 CD2 HIS A 70 6.940 1.027 -3.793 1.00 0.00 C ATOM 1077 CE1 HIS A 70 5.740 1.674 -5.489 1.00 0.00 C ATOM 1078 NE2 HIS A 70 6.733 0.895 -5.135 1.00 0.00 N ATOM 0 H HIS A 70 5.989 3.006 0.607 1.00 0.00 H new ATOM 0 HA HIS A 70 7.706 1.717 -1.189 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.206 1.604 -1.377 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.189 3.271 -1.917 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.693 0.513 -3.214 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.347 1.780 -6.489 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.264 0.289 -5.761 1.00 0.00 H new ATOM 1087 N ALA A 71 6.937 4.922 -1.555 1.00 0.00 N ATOM 1088 CA ALA A 71 7.172 6.257 -2.071 1.00 0.00 C ATOM 1089 C ALA A 71 8.578 6.623 -1.996 1.00 0.00 C ATOM 1090 O ALA A 71 9.177 7.047 -2.968 1.00 0.00 O ATOM 1091 CB ALA A 71 6.468 7.169 -1.175 1.00 0.00 C ATOM 0 H ALA A 71 6.113 4.890 -0.955 1.00 0.00 H new ATOM 0 HA ALA A 71 6.844 6.302 -3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.610 8.195 -1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.404 6.930 -1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.863 7.064 -0.165 1.00 0.00 H new ATOM 1097 N LYS A 72 9.071 6.434 -0.821 1.00 0.00 N ATOM 1098 CA LYS A 72 10.399 6.707 -0.452 1.00 0.00 C ATOM 1099 C LYS A 72 11.398 6.132 -1.486 1.00 0.00 C ATOM 1100 O LYS A 72 12.392 6.768 -1.822 1.00 0.00 O ATOM 1101 CB LYS A 72 10.665 6.106 0.904 1.00 0.00 C ATOM 1102 CG LYS A 72 10.454 7.017 2.062 1.00 0.00 C ATOM 1103 CD LYS A 72 10.786 6.238 3.269 1.00 0.00 C ATOM 1104 CE LYS A 72 10.536 6.990 4.576 1.00 0.00 C ATOM 1105 NZ LYS A 72 11.472 8.107 4.795 1.00 0.00 N ATOM 0 H LYS A 72 8.515 6.061 -0.051 1.00 0.00 H new ATOM 0 HA LYS A 72 10.537 7.788 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.022 5.234 1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.695 5.749 0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.088 7.900 1.983 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.423 7.368 2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.198 5.320 3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.835 5.945 3.224 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.516 7.375 4.576 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.614 6.292 5.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 11.249 8.575 5.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.446 7.743 4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.382 8.792 4.018 1.00 0.00 H new ATOM 1119 N HIS A 73 11.108 4.929 -1.997 1.00 0.00 N ATOM 1120 CA HIS A 73 11.940 4.356 -3.062 1.00 0.00 C ATOM 1121 C HIS A 73 11.249 4.309 -4.500 1.00 0.00 C ATOM 1122 O HIS A 73 11.977 4.234 -5.471 1.00 0.00 O ATOM 1123 CB HIS A 73 12.577 2.985 -2.659 1.00 0.00 C ATOM 1124 CG HIS A 73 13.813 2.586 -3.460 1.00 0.00 C ATOM 1125 ND1 HIS A 73 14.381 1.336 -3.380 1.00 0.00 N ATOM 1126 CD2 HIS A 73 14.616 3.295 -4.308 1.00 0.00 C ATOM 1127 CE1 HIS A 73 15.464 1.288 -4.130 1.00 0.00 C ATOM 1128 NE2 HIS A 73 15.627 2.454 -4.700 1.00 0.00 N ATOM 0 H HIS A 73 10.325 4.347 -1.700 1.00 0.00 H new ATOM 0 HA HIS A 73 12.758 5.067 -3.175 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.844 3.022 -1.603 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.824 2.205 -2.770 1.00 0.00 H new ATOM 0 HD1 HIS A 73 14.018 0.562 -2.824 1.00 0.00 H new ATOM 0 HD2 HIS A 73 14.481 4.322 -4.612 1.00 0.00 H new ATOM 0 HE1 HIS A 73 16.108 0.430 -4.253 1.00 0.00 H new ATOM 1137 N CYS A 74 9.859 4.328 -4.655 1.00 0.00 N ATOM 1138 CA CYS A 74 9.284 4.394 -6.000 1.00 0.00 C ATOM 1139 C CYS A 74 9.637 5.804 -6.494 1.00 0.00 C ATOM 1140 O CYS A 74 9.020 6.751 -6.015 1.00 0.00 O ATOM 1141 CB CYS A 74 7.646 4.289 -6.024 1.00 0.00 C ATOM 1142 SG CYS A 74 6.977 3.960 -7.671 1.00 0.00 S ATOM 0 H CYS A 74 9.184 4.299 -3.891 1.00 0.00 H new ATOM 0 HA CYS A 74 9.668 3.566 -6.596 1.00 0.00 H new ATOM 0 HB2 CYS A 74 7.329 3.497 -5.345 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.223 5.220 -5.647 1.00 0.00 H new ATOM 0 HG CYS A 74 7.943 3.622 -8.472 1.00 0.00 H new ATOM 1148 N GLN A 75 10.595 5.995 -7.413 1.00 0.00 N ATOM 1149 CA GLN A 75 10.852 7.339 -7.864 1.00 0.00 C ATOM 1150 C GLN A 75 9.963 7.624 -9.048 1.00 0.00 C ATOM 1151 O GLN A 75 10.316 7.350 -10.196 1.00 0.00 O ATOM 1152 CB GLN A 75 12.353 7.647 -8.165 1.00 0.00 C ATOM 1153 CG GLN A 75 13.233 7.645 -6.915 1.00 0.00 C ATOM 1154 CD GLN A 75 13.073 8.924 -6.067 1.00 0.00 C ATOM 1155 OE1 GLN A 75 13.794 9.891 -6.277 1.00 0.00 O ATOM 1156 NE2 GLN A 75 12.170 8.960 -5.090 1.00 0.00 N ATOM 0 H GLN A 75 11.171 5.265 -7.832 1.00 0.00 H new ATOM 0 HA GLN A 75 10.613 8.014 -7.042 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.734 6.908 -8.870 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.427 8.620 -8.651 1.00 0.00 H new ATOM 0 HG2 GLN A 75 12.986 6.777 -6.304 1.00 0.00 H new ATOM 0 HG3 GLN A 75 14.277 7.540 -7.211 1.00 0.00 H new ATOM 0 HE21 GLN A 75 11.571 8.152 -4.919 1.00 0.00 H new ATOM 0 HE22 GLN A 75 12.076 9.796 -4.513 1.00 0.00 H new ATOM 1165 N GLU A 76 8.800 8.143 -8.751 1.00 0.00 N ATOM 1166 CA GLU A 76 7.780 8.401 -9.668 1.00 0.00 C ATOM 1167 C GLU A 76 6.981 9.456 -9.042 1.00 0.00 C ATOM 1168 O GLU A 76 6.754 9.408 -7.819 1.00 0.00 O ATOM 1169 CB GLU A 76 6.894 7.153 -9.933 1.00 0.00 C ATOM 1170 CG GLU A 76 5.670 7.488 -10.777 1.00 0.00 C ATOM 1171 CD GLU A 76 6.055 8.015 -12.135 1.00 0.00 C ATOM 1172 OE1 GLU A 76 6.241 7.216 -13.061 1.00 0.00 O ATOM 1173 OE2 GLU A 76 6.178 9.255 -12.282 1.00 0.00 O ATOM 0 H GLU A 76 8.549 8.404 -7.797 1.00 0.00 H new ATOM 0 HA GLU A 76 8.189 8.685 -10.638 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.485 6.390 -10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.573 6.728 -8.982 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.054 6.596 -10.894 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.062 8.229 -10.258 1.00 0.00 H new ATOM 1180 N ASN A 77 6.566 10.391 -9.819 1.00 0.00 N ATOM 1181 CA ASN A 77 5.896 11.485 -9.283 1.00 0.00 C ATOM 1182 C ASN A 77 4.485 11.537 -9.822 1.00 0.00 C ATOM 1183 O ASN A 77 3.696 12.439 -9.493 1.00 0.00 O ATOM 1184 CB ASN A 77 6.694 12.748 -9.512 1.00 0.00 C ATOM 1185 CG ASN A 77 6.254 13.914 -8.613 1.00 0.00 C ATOM 1186 OD1 ASN A 77 5.984 13.636 -7.367 1.00 0.00 O flip ATOM 1187 ND2 ASN A 77 6.252 15.076 -9.030 1.00 0.00 N flip ATOM 0 H ASN A 77 6.687 10.406 -10.832 1.00 0.00 H new ATOM 0 HA ASN A 77 5.804 11.384 -8.202 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.749 12.540 -9.336 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.598 13.046 -10.556 1.00 0.00 H new ATOM 0 HD21 ASN A 77 6.466 15.267 -10.009 1.00 0.00 H new ATOM 0 HD22 ASN A 77 6.036 15.845 -8.396 1.00 0.00 H new ATOM 1194 N LYS A 78 4.174 10.573 -10.682 1.00 0.00 N ATOM 1195 CA LYS A 78 2.822 10.352 -11.106 1.00 0.00 C ATOM 1196 C LYS A 78 2.010 10.058 -9.909 1.00 0.00 C ATOM 1197 O LYS A 78 2.480 9.391 -9.000 1.00 0.00 O ATOM 1198 CB LYS A 78 2.732 9.244 -12.103 1.00 0.00 C ATOM 1199 CG LYS A 78 3.187 9.659 -13.475 1.00 0.00 C ATOM 1200 CD LYS A 78 2.591 8.770 -14.512 1.00 0.00 C ATOM 1201 CE LYS A 78 3.054 7.331 -14.382 1.00 0.00 C ATOM 1202 NZ LYS A 78 2.372 6.439 -15.342 1.00 0.00 N ATOM 0 H LYS A 78 4.855 9.935 -11.094 1.00 0.00 H new ATOM 0 HA LYS A 78 2.445 11.245 -11.604 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.338 8.404 -11.762 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.702 8.892 -12.157 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.898 10.693 -13.664 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.275 9.617 -13.532 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.504 8.807 -14.436 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.854 9.145 -15.501 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.131 7.281 -14.543 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.867 6.981 -13.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.718 5.466 -15.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.346 6.466 -15.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.571 6.756 -16.312 1.00 0.00 H new ATOM 1216 N CYS A 79 0.815 10.537 -9.890 1.00 0.00 N ATOM 1217 CA CYS A 79 0.083 10.559 -8.675 1.00 0.00 C ATOM 1218 C CYS A 79 -1.018 9.515 -8.564 1.00 0.00 C ATOM 1219 O CYS A 79 -2.150 9.802 -8.964 1.00 0.00 O ATOM 1220 CB CYS A 79 -0.513 11.958 -8.482 1.00 0.00 C ATOM 1221 SG CYS A 79 0.681 13.318 -8.678 1.00 0.00 S ATOM 0 H CYS A 79 0.326 10.918 -10.700 1.00 0.00 H new ATOM 0 HA CYS A 79 0.796 10.307 -7.890 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.323 12.096 -9.198 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.953 12.018 -7.487 1.00 0.00 H new ATOM 0 HG CYS A 79 1.848 12.831 -8.980 1.00 0.00 H new ATOM 1227 N PRO A 80 -0.764 8.234 -8.141 1.00 0.00 N ATOM 1228 CA PRO A 80 -1.850 7.440 -7.806 1.00 0.00 C ATOM 1229 C PRO A 80 -2.053 7.197 -6.308 1.00 0.00 C ATOM 1230 O PRO A 80 -3.183 7.226 -5.823 1.00 0.00 O ATOM 1231 CB PRO A 80 -1.585 6.177 -8.601 1.00 0.00 C ATOM 1232 CG PRO A 80 -0.104 6.055 -8.716 1.00 0.00 C ATOM 1233 CD PRO A 80 0.459 7.371 -8.266 1.00 0.00 C ATOM 0 HA PRO A 80 -2.797 7.921 -8.050 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.009 5.307 -8.100 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.048 6.234 -9.586 1.00 0.00 H new ATOM 0 HG2 PRO A 80 0.269 5.239 -8.096 1.00 0.00 H new ATOM 0 HG3 PRO A 80 0.190 5.836 -9.742 1.00 0.00 H new ATOM 0 HD2 PRO A 80 0.988 7.281 -7.317 1.00 0.00 H new ATOM 0 HD3 PRO A 80 1.167 7.776 -8.989 1.00 0.00 H new ATOM 1241 N VAL A 81 -0.998 7.056 -5.587 1.00 0.00 N ATOM 1242 CA VAL A 81 -1.069 6.520 -4.263 1.00 0.00 C ATOM 1243 C VAL A 81 -1.058 7.573 -3.183 1.00 0.00 C ATOM 1244 O VAL A 81 -0.372 8.643 -3.325 1.00 0.00 O ATOM 1245 CB VAL A 81 0.094 5.476 -4.079 1.00 0.00 C ATOM 1246 CG1 VAL A 81 0.150 4.785 -2.705 1.00 0.00 C ATOM 1247 CG2 VAL A 81 -0.023 4.446 -5.145 1.00 0.00 C ATOM 0 H VAL A 81 -0.058 7.307 -5.893 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.033 6.024 -4.151 1.00 0.00 H new ATOM 0 HB VAL A 81 1.022 6.044 -4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.986 4.086 -2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.284 5.535 -1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.780 4.244 -2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.776 3.713 -5.032 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.988 3.946 -5.063 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.057 4.923 -6.122 1.00 0.00 H new ATOM 1257 N PRO A 82 -1.826 7.269 -2.055 1.00 0.00 N ATOM 1258 CA PRO A 82 -1.778 7.982 -0.821 1.00 0.00 C ATOM 1259 C PRO A 82 -0.369 7.949 -0.402 1.00 0.00 C ATOM 1260 O PRO A 82 0.391 7.180 -0.937 1.00 0.00 O ATOM 1261 CB PRO A 82 -2.692 7.214 0.143 1.00 0.00 C ATOM 1262 CG PRO A 82 -2.731 5.885 -0.441 1.00 0.00 C ATOM 1263 CD PRO A 82 -2.704 6.146 -1.927 1.00 0.00 C ATOM 0 HA PRO A 82 -2.111 9.019 -0.869 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.290 7.199 1.156 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.685 7.660 0.201 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.879 5.283 -0.125 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.630 5.344 -0.146 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.334 5.282 -2.479 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.699 6.369 -2.313 1.00 0.00 H new ATOM 1271 N PHE A 83 -0.081 8.581 0.619 1.00 0.00 N ATOM 1272 CA PHE A 83 1.179 9.208 0.797 1.00 0.00 C ATOM 1273 C PHE A 83 2.394 8.451 0.294 1.00 0.00 C ATOM 1274 O PHE A 83 3.079 7.771 0.949 1.00 0.00 O ATOM 1275 CB PHE A 83 1.318 9.648 2.194 1.00 0.00 C ATOM 1276 CG PHE A 83 0.017 10.179 2.716 1.00 0.00 C ATOM 1277 CD1 PHE A 83 -0.385 11.482 2.490 1.00 0.00 C ATOM 1278 CD2 PHE A 83 -0.853 9.312 3.357 1.00 0.00 C ATOM 1279 CE1 PHE A 83 -1.637 11.896 2.898 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -2.073 9.718 3.771 1.00 0.00 C ATOM 1281 CZ PHE A 83 -2.475 11.001 3.542 1.00 0.00 C ATOM 0 H PHE A 83 -0.719 8.701 1.406 1.00 0.00 H new ATOM 0 HA PHE A 83 1.170 10.073 0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.650 8.813 2.812 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.085 10.420 2.263 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.279 12.175 1.995 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -0.549 8.290 3.529 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.961 12.910 2.716 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.728 9.028 4.282 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.454 11.321 3.865 1.00 0.00 H new ATOM 1291 N CYS A 84 2.563 8.790 -0.903 1.00 0.00 N ATOM 1292 CA CYS A 84 3.433 8.432 -1.936 1.00 0.00 C ATOM 1293 C CYS A 84 3.767 9.780 -2.410 1.00 0.00 C ATOM 1294 O CYS A 84 3.877 10.623 -1.559 1.00 0.00 O ATOM 1295 CB CYS A 84 2.811 7.492 -3.014 1.00 0.00 C ATOM 1296 SG CYS A 84 3.908 7.053 -4.398 1.00 0.00 S ATOM 0 H CYS A 84 1.933 9.505 -1.266 1.00 0.00 H new ATOM 0 HA CYS A 84 4.284 7.818 -1.641 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.486 6.573 -2.526 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.919 7.971 -3.418 1.00 0.00 H new ATOM 0 HG CYS A 84 5.033 7.694 -4.280 1.00 0.00 H new ATOM 1302 N LEU A 85 4.028 9.944 -3.675 1.00 0.00 N ATOM 1303 CA LEU A 85 4.565 11.139 -4.430 1.00 0.00 C ATOM 1304 C LEU A 85 4.241 12.658 -3.934 1.00 0.00 C ATOM 1305 O LEU A 85 4.414 13.632 -4.677 1.00 0.00 O ATOM 1306 CB LEU A 85 4.090 11.008 -5.937 1.00 0.00 C ATOM 1307 CG LEU A 85 2.543 10.926 -6.293 1.00 0.00 C ATOM 1308 CD1 LEU A 85 1.882 9.610 -5.911 1.00 0.00 C ATOM 1309 CD2 LEU A 85 1.803 12.029 -5.652 1.00 0.00 C ATOM 0 H LEU A 85 3.863 9.171 -4.320 1.00 0.00 H new ATOM 0 HA LEU A 85 5.637 11.065 -4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.500 11.861 -6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 85 4.562 10.115 -6.346 1.00 0.00 H new ATOM 0 HG LEU A 85 2.499 11.004 -7.379 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.828 9.638 -6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.374 8.790 -6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.970 9.457 -4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.746 11.955 -5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.920 11.965 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.196 12.983 -6.004 1.00 0.00 H new ATOM 1321 N ASN A 86 3.846 12.780 -2.716 1.00 0.00 N ATOM 1322 CA ASN A 86 3.645 14.007 -1.948 1.00 0.00 C ATOM 1323 C ASN A 86 4.609 13.949 -0.712 1.00 0.00 C ATOM 1324 O ASN A 86 5.175 14.961 -0.316 1.00 0.00 O ATOM 1325 CB ASN A 86 2.191 14.111 -1.433 1.00 0.00 C ATOM 1326 CG ASN A 86 1.926 15.389 -0.616 1.00 0.00 C ATOM 1327 OD1 ASN A 86 1.178 15.372 0.374 1.00 0.00 O ATOM 1328 ND2 ASN A 86 2.478 16.501 -1.046 1.00 0.00 N ATOM 0 H ASN A 86 3.628 11.955 -2.157 1.00 0.00 H new ATOM 0 HA ASN A 86 3.846 14.870 -2.583 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.509 14.083 -2.283 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.968 13.241 -0.816 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.296 17.381 -0.563 1.00 0.00 H new ATOM 0 HD22 ASN A 86 3.089 16.485 -1.863 1.00 0.00 H new ATOM 1335 N ILE A 87 4.839 12.701 -0.153 1.00 0.00 N ATOM 1336 CA ILE A 87 5.851 12.448 0.953 1.00 0.00 C ATOM 1337 C ILE A 87 7.203 12.761 0.411 1.00 0.00 C ATOM 1338 O ILE A 87 8.100 13.276 1.079 1.00 0.00 O ATOM 1339 CB ILE A 87 5.822 10.923 1.499 1.00 0.00 C ATOM 1340 CG1 ILE A 87 4.824 10.783 2.666 1.00 0.00 C ATOM 1341 CG2 ILE A 87 7.222 10.305 1.841 1.00 0.00 C ATOM 1342 CD1 ILE A 87 5.125 11.653 3.875 1.00 0.00 C ATOM 0 H ILE A 87 4.341 11.861 -0.448 1.00 0.00 H new ATOM 0 HA ILE A 87 5.599 13.084 1.802 1.00 0.00 H new ATOM 0 HB ILE A 87 5.475 10.322 0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.826 11.026 2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.803 9.740 2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.091 9.283 2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.846 10.301 0.947 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.703 10.901 2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.369 11.485 4.642 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.107 11.397 4.272 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.115 12.702 3.580 1.00 0.00 H new ATOM 1354 N LYS A 88 7.277 12.496 -0.813 1.00 0.00 N ATOM 1355 CA LYS A 88 8.384 12.644 -1.608 1.00 0.00 C ATOM 1356 C LYS A 88 7.937 13.362 -2.818 1.00 0.00 C ATOM 1357 O LYS A 88 7.111 12.860 -3.545 1.00 0.00 O ATOM 1358 CB LYS A 88 8.887 11.249 -1.938 1.00 0.00 C ATOM 1359 CG LYS A 88 7.808 10.223 -2.366 1.00 0.00 C ATOM 1360 CD LYS A 88 7.752 10.040 -3.857 1.00 0.00 C ATOM 1361 CE LYS A 88 9.065 9.615 -4.388 1.00 0.00 C ATOM 1362 NZ LYS A 88 8.995 9.337 -5.807 1.00 0.00 N ATOM 0 H LYS A 88 6.476 12.133 -1.330 1.00 0.00 H new ATOM 0 HA LYS A 88 9.191 13.203 -1.135 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.622 11.329 -2.739 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.408 10.856 -1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.015 9.263 -1.892 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.833 10.553 -2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.996 9.296 -4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.449 10.974 -4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.803 10.395 -4.204 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.403 8.725 -3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.888 9.619 -6.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.838 8.319 -5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.209 9.873 -6.227 1.00 0.00 H new ATOM 1376 N GLN A 89 8.339 14.562 -3.017 1.00 0.00 N ATOM 1377 CA GLN A 89 7.947 15.118 -4.234 1.00 0.00 C ATOM 1378 C GLN A 89 9.001 14.822 -5.231 1.00 0.00 C ATOM 1379 O GLN A 89 9.987 15.557 -5.338 1.00 0.00 O ATOM 1380 CB GLN A 89 7.680 16.594 -4.164 1.00 0.00 C ATOM 1381 CG GLN A 89 6.414 16.926 -3.396 1.00 0.00 C ATOM 1382 CD GLN A 89 6.076 18.389 -3.419 1.00 0.00 C ATOM 1383 OE1 GLN A 89 6.500 19.152 -2.560 1.00 0.00 O ATOM 1384 NE2 GLN A 89 5.308 18.794 -4.387 1.00 0.00 N ATOM 0 H GLN A 89 8.903 15.139 -2.393 1.00 0.00 H new ATOM 0 HA GLN A 89 6.996 14.670 -4.521 1.00 0.00 H new ATOM 0 HB2 GLN A 89 8.527 17.090 -3.691 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.601 16.993 -5.175 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.582 16.361 -3.817 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.529 16.602 -2.362 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.974 18.129 -5.085 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.040 19.776 -4.448 1.00 0.00 H new ATOM 1393 N LYS A 90 8.814 13.735 -5.929 1.00 0.00 N ATOM 1394 CA LYS A 90 9.689 13.272 -6.937 1.00 0.00 C ATOM 1395 C LYS A 90 9.089 11.950 -7.276 1.00 0.00 C ATOM 1396 O LYS A 90 8.034 11.654 -6.670 1.00 0.00 O ATOM 1397 CB LYS A 90 11.140 13.069 -6.395 1.00 0.00 C ATOM 1398 CG LYS A 90 12.219 12.666 -7.417 1.00 0.00 C ATOM 1399 CD LYS A 90 12.851 13.854 -8.142 1.00 0.00 C ATOM 1400 CE LYS A 90 11.849 14.697 -8.891 1.00 0.00 C ATOM 1401 NZ LYS A 90 12.497 15.760 -9.683 1.00 0.00 N ATOM 1402 OXT LYS A 90 9.646 11.171 -8.051 1.00 0.00 O ATOM 0 H LYS A 90 8.005 13.129 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 90 9.782 13.964 -7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.456 13.996 -5.917 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.107 12.305 -5.618 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.001 12.106 -6.905 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.777 11.995 -8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.371 14.479 -7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 90 13.602 13.486 -8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.263 14.059 -9.553 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.153 15.147 -8.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.771 16.314 -10.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.036 16.385 -9.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 13.142 15.331 -10.377 1.00 0.00 H new TER 1416 LYS A 90 ATOM 1417 N LEU B 1 6.657 4.642 -13.495 1.00 0.00 N ATOM 1418 CA LEU B 1 7.587 3.534 -13.271 1.00 0.00 C ATOM 1419 C LEU B 1 7.579 3.118 -11.810 1.00 0.00 C ATOM 1420 O LEU B 1 7.759 3.954 -10.927 1.00 0.00 O ATOM 1421 CB LEU B 1 9.045 3.852 -13.743 1.00 0.00 C ATOM 1422 CG LEU B 1 9.850 4.959 -13.008 1.00 0.00 C ATOM 1423 CD1 LEU B 1 11.312 4.889 -13.409 1.00 0.00 C ATOM 1424 CD2 LEU B 1 9.316 6.348 -13.323 1.00 0.00 C ATOM 0 H1 LEU B 1 6.937 5.163 -14.350 1.00 0.00 H new ATOM 0 H2 LEU B 1 5.694 4.268 -13.617 1.00 0.00 H new ATOM 0 H3 LEU B 1 6.678 5.284 -12.677 1.00 0.00 H new ATOM 0 HA LEU B 1 7.235 2.704 -13.884 1.00 0.00 H new ATOM 0 HB2 LEU B 1 9.621 2.929 -13.678 1.00 0.00 H new ATOM 0 HB3 LEU B 1 8.997 4.125 -14.797 1.00 0.00 H new ATOM 0 HG LEU B 1 9.743 4.784 -11.937 1.00 0.00 H new ATOM 0 HD11 LEU B 1 11.870 5.668 -12.889 1.00 0.00 H new ATOM 0 HD12 LEU B 1 11.717 3.913 -13.141 1.00 0.00 H new ATOM 0 HD13 LEU B 1 11.401 5.035 -14.485 1.00 0.00 H new ATOM 0 HD21 LEU B 1 9.906 7.094 -12.790 1.00 0.00 H new ATOM 0 HD22 LEU B 1 9.385 6.530 -14.396 1.00 0.00 H new ATOM 0 HD23 LEU B 1 8.274 6.417 -13.010 1.00 0.00 H new ATOM 1438 N PRO B 2 7.334 1.832 -11.523 1.00 0.00 N ATOM 1439 CA PRO B 2 7.347 1.314 -10.162 1.00 0.00 C ATOM 1440 C PRO B 2 8.754 0.840 -9.752 1.00 0.00 C ATOM 1441 O PRO B 2 9.703 0.932 -10.540 1.00 0.00 O ATOM 1442 CB PRO B 2 6.385 0.129 -10.258 1.00 0.00 C ATOM 1443 CG PRO B 2 6.574 -0.405 -11.643 1.00 0.00 C ATOM 1444 CD PRO B 2 7.002 0.765 -12.506 1.00 0.00 C ATOM 0 HA PRO B 2 7.066 2.056 -9.415 1.00 0.00 H new ATOM 0 HB2 PRO B 2 6.613 -0.628 -9.508 1.00 0.00 H new ATOM 0 HB3 PRO B 2 5.354 0.442 -10.092 1.00 0.00 H new ATOM 0 HG2 PRO B 2 7.329 -1.191 -11.655 1.00 0.00 H new ATOM 0 HG3 PRO B 2 5.650 -0.845 -12.018 1.00 0.00 H new ATOM 0 HD2 PRO B 2 7.862 0.511 -13.126 1.00 0.00 H new ATOM 0 HD3 PRO B 2 6.204 1.077 -13.180 1.00 0.00 H new ATOM 1452 N SER B 3 8.886 0.346 -8.541 1.00 0.00 N ATOM 1453 CA SER B 3 10.150 -0.168 -8.058 1.00 0.00 C ATOM 1454 C SER B 3 9.995 -1.658 -7.785 1.00 0.00 C ATOM 1455 O SER B 3 10.463 -2.470 -8.580 1.00 0.00 O ATOM 1456 CB SER B 3 10.619 0.604 -6.827 1.00 0.00 C ATOM 1457 OG SER B 3 10.729 1.975 -7.127 1.00 0.00 O ATOM 0 H SER B 3 8.124 0.289 -7.865 1.00 0.00 H new ATOM 0 HA SER B 3 10.924 -0.031 -8.813 1.00 0.00 H new ATOM 0 HB2 SER B 3 9.915 0.459 -6.007 1.00 0.00 H new ATOM 0 HB3 SER B 3 11.582 0.219 -6.492 1.00 0.00 H new ATOM 0 HG SER B 3 11.290 2.413 -6.453 1.00 0.00 H new ATOM 1463 N GLN B 4 9.316 -2.007 -6.670 1.00 0.00 N ATOM 1464 CA GLN B 4 8.907 -3.367 -6.389 1.00 0.00 C ATOM 1465 C GLN B 4 10.046 -4.285 -5.967 1.00 0.00 C ATOM 1466 O GLN B 4 11.024 -4.495 -6.702 1.00 0.00 O ATOM 1467 CB GLN B 4 8.001 -3.905 -7.497 1.00 0.00 C ATOM 1468 CG GLN B 4 6.507 -3.601 -7.277 1.00 0.00 C ATOM 1469 CD GLN B 4 6.124 -2.155 -6.878 1.00 0.00 C ATOM 1470 OE1 GLN B 4 6.744 -1.147 -7.255 1.00 0.00 O ATOM 1471 NE2 GLN B 4 5.109 -2.054 -6.060 1.00 0.00 N ATOM 0 H GLN B 4 9.044 -1.339 -5.949 1.00 0.00 H new ATOM 0 HA GLN B 4 8.292 -3.345 -5.489 1.00 0.00 H new ATOM 0 HB2 GLN B 4 8.313 -3.477 -8.450 1.00 0.00 H new ATOM 0 HB3 GLN B 4 8.136 -4.984 -7.573 1.00 0.00 H new ATOM 0 HG2 GLN B 4 5.974 -3.849 -8.195 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.137 -4.273 -6.502 1.00 0.00 H new ATOM 0 HE21 GLN B 4 4.610 -2.892 -5.760 1.00 0.00 H new ATOM 0 HE22 GLN B 4 4.816 -1.137 -5.722 1.00 0.00 H new ATOM 1480 N ALA B 5 9.933 -4.748 -4.705 1.00 0.00 N ATOM 1481 CA ALA B 5 10.931 -5.570 -3.968 1.00 0.00 C ATOM 1482 C ALA B 5 12.073 -4.696 -3.470 1.00 0.00 C ATOM 1483 O ALA B 5 12.910 -5.090 -2.662 1.00 0.00 O ATOM 1484 CB ALA B 5 11.414 -6.750 -4.768 1.00 0.00 C ATOM 0 H ALA B 5 9.106 -4.553 -4.140 1.00 0.00 H new ATOM 0 HA ALA B 5 10.432 -5.996 -3.098 1.00 0.00 H new ATOM 0 HB1 ALA B 5 12.140 -7.314 -4.182 1.00 0.00 H new ATOM 0 HB2 ALA B 5 10.569 -7.393 -5.015 1.00 0.00 H new ATOM 0 HB3 ALA B 5 11.884 -6.399 -5.687 1.00 0.00 H new ATOM 1490 N MET B 6 12.041 -3.503 -3.959 1.00 0.00 N ATOM 1491 CA MET B 6 12.925 -2.394 -3.601 1.00 0.00 C ATOM 1492 C MET B 6 12.185 -1.513 -2.629 1.00 0.00 C ATOM 1493 O MET B 6 12.630 -0.439 -2.239 1.00 0.00 O ATOM 1494 CB MET B 6 13.226 -1.581 -4.839 1.00 0.00 C ATOM 1495 CG MET B 6 14.161 -2.246 -5.825 1.00 0.00 C ATOM 1496 SD MET B 6 15.809 -2.486 -5.134 1.00 0.00 S ATOM 1497 CE MET B 6 16.617 -3.280 -6.521 1.00 0.00 C ATOM 0 H MET B 6 11.359 -3.237 -4.669 1.00 0.00 H new ATOM 0 HA MET B 6 13.852 -2.771 -3.168 1.00 0.00 H new ATOM 0 HB2 MET B 6 12.287 -1.356 -5.345 1.00 0.00 H new ATOM 0 HB3 MET B 6 13.660 -0.629 -4.534 1.00 0.00 H new ATOM 0 HG2 MET B 6 13.748 -3.210 -6.123 1.00 0.00 H new ATOM 0 HG3 MET B 6 14.231 -1.637 -6.726 1.00 0.00 H new ATOM 0 HE1 MET B 6 17.653 -3.499 -6.262 1.00 0.00 H new ATOM 0 HE2 MET B 6 16.099 -4.208 -6.761 1.00 0.00 H new ATOM 0 HE3 MET B 6 16.592 -2.616 -7.385 1.00 0.00 H new ATOM 1507 N ASP B 7 11.055 -2.015 -2.248 1.00 0.00 N ATOM 1508 CA ASP B 7 10.076 -1.379 -1.367 1.00 0.00 C ATOM 1509 C ASP B 7 10.484 -1.593 0.103 1.00 0.00 C ATOM 1510 O ASP B 7 9.728 -1.359 1.025 1.00 0.00 O ATOM 1511 CB ASP B 7 8.697 -2.005 -1.623 1.00 0.00 C ATOM 1512 CG ASP B 7 8.389 -2.232 -3.107 1.00 0.00 C ATOM 1513 OD1 ASP B 7 8.544 -1.295 -3.942 1.00 0.00 O ATOM 1514 OD2 ASP B 7 8.011 -3.358 -3.462 1.00 0.00 O ATOM 0 H ASP B 7 10.753 -2.940 -2.553 1.00 0.00 H new ATOM 0 HA ASP B 7 10.036 -0.309 -1.569 1.00 0.00 H new ATOM 0 HB2 ASP B 7 8.638 -2.959 -1.099 1.00 0.00 H new ATOM 0 HB3 ASP B 7 7.930 -1.359 -1.197 1.00 0.00 H new ATOM 1519 N ASP B 8 11.725 -2.011 0.259 1.00 0.00 N ATOM 1520 CA ASP B 8 12.433 -2.362 1.521 1.00 0.00 C ATOM 1521 C ASP B 8 12.364 -1.287 2.613 1.00 0.00 C ATOM 1522 O ASP B 8 12.589 -1.564 3.788 1.00 0.00 O ATOM 1523 CB ASP B 8 13.905 -2.655 1.154 1.00 0.00 C ATOM 1524 CG ASP B 8 14.835 -2.908 2.331 1.00 0.00 C ATOM 1525 OD1 ASP B 8 14.897 -4.041 2.822 1.00 0.00 O ATOM 1526 OD2 ASP B 8 15.550 -1.966 2.760 1.00 0.00 O ATOM 0 H ASP B 8 12.334 -2.131 -0.550 1.00 0.00 H new ATOM 0 HA ASP B 8 11.932 -3.228 1.954 1.00 0.00 H new ATOM 0 HB2 ASP B 8 13.932 -3.526 0.499 1.00 0.00 H new ATOM 0 HB3 ASP B 8 14.293 -1.813 0.581 1.00 0.00 H new ATOM 1531 N LEU B 9 11.978 -0.109 2.239 1.00 0.00 N ATOM 1532 CA LEU B 9 11.990 1.057 3.140 1.00 0.00 C ATOM 1533 C LEU B 9 10.782 1.105 4.039 1.00 0.00 C ATOM 1534 O LEU B 9 10.587 2.038 4.816 1.00 0.00 O ATOM 1535 CB LEU B 9 12.154 2.350 2.340 1.00 0.00 C ATOM 1536 CG LEU B 9 13.369 2.356 1.414 1.00 0.00 C ATOM 1537 CD1 LEU B 9 13.654 3.741 0.871 1.00 0.00 C ATOM 1538 CD2 LEU B 9 14.569 1.759 2.122 1.00 0.00 C ATOM 0 H LEU B 9 11.639 0.099 1.300 1.00 0.00 H new ATOM 0 HA LEU B 9 12.852 0.951 3.799 1.00 0.00 H new ATOM 0 HB2 LEU B 9 11.255 2.514 1.745 1.00 0.00 H new ATOM 0 HB3 LEU B 9 12.234 3.187 3.034 1.00 0.00 H new ATOM 0 HG LEU B 9 13.146 1.731 0.549 1.00 0.00 H new ATOM 0 HD11 LEU B 9 14.525 3.703 0.217 1.00 0.00 H new ATOM 0 HD12 LEU B 9 12.791 4.095 0.306 1.00 0.00 H new ATOM 0 HD13 LEU B 9 13.851 4.423 1.698 1.00 0.00 H new ATOM 0 HD21 LEU B 9 15.429 1.769 1.452 1.00 0.00 H new ATOM 0 HD22 LEU B 9 14.796 2.346 3.012 1.00 0.00 H new ATOM 0 HD23 LEU B 9 14.347 0.732 2.412 1.00 0.00 H new ATOM 1550 N MET B 10 10.047 0.078 3.963 1.00 0.00 N ATOM 1551 CA MET B 10 8.798 -0.089 4.619 1.00 0.00 C ATOM 1552 C MET B 10 8.865 -0.849 5.931 1.00 0.00 C ATOM 1553 O MET B 10 9.732 -1.711 6.125 1.00 0.00 O ATOM 1554 CB MET B 10 7.939 -0.805 3.629 1.00 0.00 C ATOM 1555 CG MET B 10 6.713 -1.460 4.157 1.00 0.00 C ATOM 1556 SD MET B 10 5.503 -0.340 4.841 1.00 0.00 S ATOM 1557 CE MET B 10 4.199 -1.488 5.252 1.00 0.00 C ATOM 0 H MET B 10 10.309 -0.734 3.404 1.00 0.00 H new ATOM 0 HA MET B 10 8.405 0.884 4.913 1.00 0.00 H new ATOM 0 HB2 MET B 10 7.640 -0.092 2.860 1.00 0.00 H new ATOM 0 HB3 MET B 10 8.547 -1.566 3.139 1.00 0.00 H new ATOM 0 HG2 MET B 10 6.247 -2.029 3.353 1.00 0.00 H new ATOM 0 HG3 MET B 10 7.003 -2.175 4.927 1.00 0.00 H new ATOM 0 HE1 MET B 10 3.610 -1.089 6.078 1.00 0.00 H new ATOM 0 HE2 MET B 10 3.555 -1.633 4.384 1.00 0.00 H new ATOM 0 HE3 MET B 10 4.634 -2.443 5.545 1.00 0.00 H new ATOM 1567 N LEU B 11 7.973 -0.467 6.860 1.00 0.00 N ATOM 1568 CA LEU B 11 7.746 -1.275 8.099 1.00 0.00 C ATOM 1569 C LEU B 11 6.987 -2.615 7.756 1.00 0.00 C ATOM 1570 O LEU B 11 7.080 -3.094 6.636 1.00 0.00 O ATOM 1571 CB LEU B 11 7.111 -0.430 9.299 1.00 0.00 C ATOM 1572 CG LEU B 11 5.674 0.210 9.231 1.00 0.00 C ATOM 1573 CD1 LEU B 11 4.551 -0.804 9.321 1.00 0.00 C ATOM 1574 CD2 LEU B 11 5.529 1.240 10.339 1.00 0.00 C ATOM 0 H LEU B 11 7.402 0.375 6.793 1.00 0.00 H new ATOM 0 HA LEU B 11 8.719 -1.568 8.494 1.00 0.00 H new ATOM 0 HB2 LEU B 11 7.119 -1.081 10.173 1.00 0.00 H new ATOM 0 HB3 LEU B 11 7.804 0.386 9.503 1.00 0.00 H new ATOM 0 HG LEU B 11 5.584 0.679 8.251 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.591 -0.290 9.267 1.00 0.00 H new ATOM 0 HD12 LEU B 11 4.631 -1.510 8.494 1.00 0.00 H new ATOM 0 HD13 LEU B 11 4.622 -1.342 10.266 1.00 0.00 H new ATOM 0 HD21 LEU B 11 4.535 1.685 10.294 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.667 0.756 11.306 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.281 2.019 10.212 1.00 0.00 H new ATOM 1586 N SER B 12 6.323 -3.238 8.711 1.00 0.00 N ATOM 1587 CA SER B 12 5.605 -4.503 8.486 1.00 0.00 C ATOM 1588 C SER B 12 4.409 -4.428 7.447 1.00 0.00 C ATOM 1589 O SER B 12 3.357 -3.849 7.725 1.00 0.00 O ATOM 1590 CB SER B 12 5.168 -5.083 9.828 1.00 0.00 C ATOM 1591 OG SER B 12 4.734 -4.045 10.710 1.00 0.00 O ATOM 0 H SER B 12 6.259 -2.891 9.668 1.00 0.00 H new ATOM 0 HA SER B 12 6.312 -5.177 8.003 1.00 0.00 H new ATOM 0 HB2 SER B 12 4.360 -5.798 9.675 1.00 0.00 H new ATOM 0 HB3 SER B 12 5.996 -5.629 10.281 1.00 0.00 H new ATOM 0 HG SER B 12 4.456 -4.437 11.564 1.00 0.00 H new ATOM 1597 N PRO B 13 4.607 -5.036 6.227 1.00 0.00 N ATOM 1598 CA PRO B 13 3.605 -5.097 5.081 1.00 0.00 C ATOM 1599 C PRO B 13 2.423 -5.971 5.328 1.00 0.00 C ATOM 1600 O PRO B 13 1.418 -5.919 4.605 1.00 0.00 O ATOM 1601 CB PRO B 13 4.347 -5.863 4.043 1.00 0.00 C ATOM 1602 CG PRO B 13 5.412 -6.598 4.756 1.00 0.00 C ATOM 1603 CD PRO B 13 5.851 -5.716 5.840 1.00 0.00 C ATOM 0 HA PRO B 13 3.258 -4.085 4.871 1.00 0.00 H new ATOM 0 HB2 PRO B 13 3.684 -6.551 3.518 1.00 0.00 H new ATOM 0 HB3 PRO B 13 4.770 -5.194 3.294 1.00 0.00 H new ATOM 0 HG2 PRO B 13 5.038 -7.544 5.149 1.00 0.00 H new ATOM 0 HG3 PRO B 13 6.239 -6.835 4.086 1.00 0.00 H new ATOM 0 HD2 PRO B 13 6.281 -6.277 6.670 1.00 0.00 H new ATOM 0 HD3 PRO B 13 6.611 -5.010 5.505 1.00 0.00 H new ATOM 1611 N ASP B 14 2.590 -6.751 6.320 1.00 0.00 N ATOM 1612 CA ASP B 14 1.827 -7.932 6.641 1.00 0.00 C ATOM 1613 C ASP B 14 0.332 -7.779 6.416 1.00 0.00 C ATOM 1614 O ASP B 14 -0.302 -8.643 5.794 1.00 0.00 O ATOM 1615 CB ASP B 14 2.130 -8.271 8.094 1.00 0.00 C ATOM 1616 CG ASP B 14 1.502 -9.536 8.562 1.00 0.00 C ATOM 1617 OD1 ASP B 14 2.040 -10.616 8.245 1.00 0.00 O ATOM 1618 OD2 ASP B 14 0.486 -9.481 9.275 1.00 0.00 O ATOM 0 H ASP B 14 3.328 -6.581 7.004 1.00 0.00 H new ATOM 0 HA ASP B 14 2.122 -8.736 5.967 1.00 0.00 H new ATOM 0 HB2 ASP B 14 3.210 -8.344 8.222 1.00 0.00 H new ATOM 0 HB3 ASP B 14 1.789 -7.452 8.727 1.00 0.00 H new ATOM 1623 N ASP B 15 -0.223 -6.735 6.920 1.00 0.00 N ATOM 1624 CA ASP B 15 -1.634 -6.483 6.749 1.00 0.00 C ATOM 1625 C ASP B 15 -2.112 -5.932 5.428 1.00 0.00 C ATOM 1626 O ASP B 15 -3.158 -6.343 4.984 1.00 0.00 O ATOM 1627 CB ASP B 15 -2.367 -5.905 7.955 1.00 0.00 C ATOM 1628 CG ASP B 15 -1.753 -4.668 8.505 1.00 0.00 C ATOM 1629 OD1 ASP B 15 -0.886 -4.802 9.389 1.00 0.00 O ATOM 1630 OD2 ASP B 15 -2.161 -3.555 8.126 1.00 0.00 O ATOM 0 H ASP B 15 0.273 -6.027 7.462 1.00 0.00 H new ATOM 0 HA ASP B 15 -1.962 -7.521 6.687 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -3.397 -5.691 7.672 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -2.403 -6.660 8.741 1.00 0.00 H new ATOM 1635 N ILE B 16 -1.352 -5.076 4.732 1.00 0.00 N ATOM 1636 CA ILE B 16 -1.923 -4.400 3.595 1.00 0.00 C ATOM 1637 C ILE B 16 -2.020 -5.316 2.423 1.00 0.00 C ATOM 1638 O ILE B 16 -2.900 -5.233 1.592 1.00 0.00 O ATOM 1639 CB ILE B 16 -1.205 -3.082 3.271 1.00 0.00 C ATOM 1640 CG1 ILE B 16 0.292 -3.088 3.641 1.00 0.00 C ATOM 1641 CG2 ILE B 16 -1.914 -1.967 3.951 1.00 0.00 C ATOM 1642 CD1 ILE B 16 0.564 -2.769 5.060 1.00 0.00 C ATOM 0 H ILE B 16 -0.378 -4.851 4.937 1.00 0.00 H new ATOM 0 HA ILE B 16 -2.941 -4.113 3.860 1.00 0.00 H new ATOM 0 HB ILE B 16 -1.236 -2.949 2.190 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.708 -4.070 3.414 1.00 0.00 H new ATOM 0 HG13 ILE B 16 0.814 -2.368 3.011 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -1.412 -1.026 3.727 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -2.944 -1.921 3.597 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -1.907 -2.135 5.028 1.00 0.00 H new ATOM 0 HD11 ILE B 16 1.639 -2.794 5.239 1.00 0.00 H new ATOM 0 HD12 ILE B 16 0.181 -1.775 5.289 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.073 -3.503 5.699 1.00 0.00 H new ATOM 1654 N GLU B 17 -1.122 -6.194 2.408 1.00 0.00 N ATOM 1655 CA GLU B 17 -1.109 -7.304 1.466 1.00 0.00 C ATOM 1656 C GLU B 17 -2.312 -8.246 1.664 1.00 0.00 C ATOM 1657 O GLU B 17 -2.721 -8.939 0.769 1.00 0.00 O ATOM 1658 CB GLU B 17 0.187 -8.100 1.442 1.00 0.00 C ATOM 1659 CG GLU B 17 0.375 -9.055 2.588 1.00 0.00 C ATOM 1660 CD GLU B 17 0.668 -10.449 2.084 1.00 0.00 C ATOM 1661 OE1 GLU B 17 1.847 -10.782 1.855 1.00 0.00 O ATOM 1662 OE2 GLU B 17 -0.256 -11.228 1.907 1.00 0.00 O ATOM 0 H GLU B 17 -0.333 -6.196 3.055 1.00 0.00 H new ATOM 0 HA GLU B 17 -1.189 -6.826 0.490 1.00 0.00 H new ATOM 0 HB2 GLU B 17 0.231 -8.663 0.510 1.00 0.00 H new ATOM 0 HB3 GLU B 17 1.023 -7.401 1.432 1.00 0.00 H new ATOM 0 HG2 GLU B 17 1.194 -8.713 3.221 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -0.522 -9.068 3.207 1.00 0.00 H new ATOM 1669 N GLN B 18 -2.915 -8.237 2.817 1.00 0.00 N ATOM 1670 CA GLN B 18 -4.114 -9.037 2.988 1.00 0.00 C ATOM 1671 C GLN B 18 -5.253 -8.304 2.306 1.00 0.00 C ATOM 1672 O GLN B 18 -6.320 -8.838 2.001 1.00 0.00 O ATOM 1673 CB GLN B 18 -4.420 -9.267 4.459 1.00 0.00 C ATOM 1674 CG GLN B 18 -3.349 -10.037 5.185 1.00 0.00 C ATOM 1675 CD GLN B 18 -3.236 -11.486 4.735 1.00 0.00 C ATOM 1676 OE1 GLN B 18 -2.510 -11.811 3.811 1.00 0.00 O ATOM 1677 NE2 GLN B 18 -3.924 -12.362 5.409 1.00 0.00 N ATOM 0 H GLN B 18 -2.617 -7.706 3.635 1.00 0.00 H new ATOM 0 HA GLN B 18 -3.973 -10.021 2.542 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -4.557 -8.303 4.948 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -5.364 -9.805 4.545 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -2.390 -9.542 5.034 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -3.556 -10.012 6.255 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -4.523 -12.059 6.177 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -3.864 -13.352 5.169 1.00 0.00 H new ATOM 1686 N TRP B 19 -4.990 -7.095 1.988 1.00 0.00 N ATOM 1687 CA TRP B 19 -5.974 -6.314 1.380 1.00 0.00 C ATOM 1688 C TRP B 19 -5.764 -6.399 -0.105 1.00 0.00 C ATOM 1689 O TRP B 19 -6.680 -6.282 -0.890 1.00 0.00 O ATOM 1690 CB TRP B 19 -6.045 -4.902 1.968 1.00 0.00 C ATOM 1691 CG TRP B 19 -6.533 -4.989 3.383 1.00 0.00 C ATOM 1692 CD1 TRP B 19 -5.876 -5.588 4.378 1.00 0.00 C ATOM 1693 CD2 TRP B 19 -7.763 -4.495 3.977 1.00 0.00 C ATOM 1694 NE1 TRP B 19 -6.571 -5.560 5.505 1.00 0.00 N ATOM 1695 CE2 TRP B 19 -7.722 -4.869 5.313 1.00 0.00 C ATOM 1696 CE3 TRP B 19 -8.877 -3.780 3.532 1.00 0.00 C ATOM 1697 CZ2 TRP B 19 -8.715 -4.565 6.197 1.00 0.00 C ATOM 1698 CZ3 TRP B 19 -9.877 -3.475 4.425 1.00 0.00 C ATOM 1699 CH2 TRP B 19 -9.785 -3.865 5.748 1.00 0.00 C ATOM 0 H TRP B 19 -4.095 -6.630 2.143 1.00 0.00 H new ATOM 0 HA TRP B 19 -6.973 -6.697 1.591 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -5.063 -4.431 1.936 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -6.716 -4.280 1.375 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -4.900 -6.039 4.277 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -6.284 -5.992 6.383 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -8.952 -3.471 2.500 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -8.650 -4.875 7.230 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -10.744 -2.925 4.089 1.00 0.00 H new ATOM 0 HH2 TRP B 19 -10.578 -3.608 6.434 1.00 0.00 H new ATOM 1710 N PHE B 20 -4.518 -6.655 -0.466 1.00 0.00 N ATOM 1711 CA PHE B 20 -4.160 -7.027 -1.806 1.00 0.00 C ATOM 1712 C PHE B 20 -4.964 -8.247 -2.197 1.00 0.00 C ATOM 1713 O PHE B 20 -5.603 -8.263 -3.252 1.00 0.00 O ATOM 1714 CB PHE B 20 -2.616 -7.260 -1.923 1.00 0.00 C ATOM 1715 CG PHE B 20 -2.149 -8.551 -2.568 1.00 0.00 C ATOM 1716 CD1 PHE B 20 -2.052 -8.713 -3.936 1.00 0.00 C ATOM 1717 CD2 PHE B 20 -1.791 -9.586 -1.757 1.00 0.00 C ATOM 1718 CE1 PHE B 20 -1.604 -9.901 -4.473 1.00 0.00 C ATOM 1719 CE2 PHE B 20 -1.345 -10.781 -2.273 1.00 0.00 C ATOM 1720 CZ PHE B 20 -1.249 -10.938 -3.638 1.00 0.00 C ATOM 0 H PHE B 20 -3.726 -6.607 0.175 1.00 0.00 H new ATOM 0 HA PHE B 20 -4.397 -6.221 -2.500 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -2.192 -6.430 -2.488 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -2.192 -7.213 -0.920 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -2.330 -7.901 -4.592 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -1.859 -9.466 -0.686 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -1.532 -10.018 -5.544 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -1.072 -11.590 -1.612 1.00 0.00 H new ATOM 0 HZ PHE B 20 -0.897 -11.871 -4.053 1.00 0.00 H new ATOM 1730 N THR B 21 -4.909 -9.287 -1.384 1.00 0.00 N ATOM 1731 CA THR B 21 -5.644 -10.388 -1.599 1.00 0.00 C ATOM 1732 C THR B 21 -5.995 -11.127 -0.276 1.00 0.00 C ATOM 1733 O THR B 21 -5.158 -11.768 0.352 1.00 0.00 O ATOM 1734 CB THR B 21 -4.936 -11.267 -2.652 1.00 0.00 C ATOM 1735 OG1 THR B 21 -5.309 -10.882 -3.992 1.00 0.00 O ATOM 1736 CG2 THR B 21 -5.136 -12.694 -2.409 1.00 0.00 C ATOM 0 H THR B 21 -4.319 -9.330 -0.553 1.00 0.00 H new ATOM 0 HA THR B 21 -6.615 -10.110 -2.008 1.00 0.00 H new ATOM 0 HB THR B 21 -3.865 -11.091 -2.552 1.00 0.00 H new ATOM 0 HG1 THR B 21 -5.518 -9.925 -4.011 1.00 0.00 H new ATOM 0 HG21 THR B 21 -4.619 -13.270 -3.176 1.00 0.00 H new ATOM 0 HG22 THR B 21 -4.738 -12.956 -1.429 1.00 0.00 H new ATOM 0 HG23 THR B 21 -6.201 -12.923 -2.440 1.00 0.00 H new ATOM 1744 N GLU B 22 -7.139 -10.821 0.216 1.00 0.00 N ATOM 1745 CA GLU B 22 -7.874 -11.722 1.046 1.00 0.00 C ATOM 1746 C GLU B 22 -9.091 -12.019 0.286 1.00 0.00 C ATOM 1747 O GLU B 22 -9.841 -11.093 -0.066 1.00 0.00 O ATOM 1748 CB GLU B 22 -8.218 -11.217 2.434 1.00 0.00 C ATOM 1749 CG GLU B 22 -7.104 -11.389 3.419 1.00 0.00 C ATOM 1750 CD GLU B 22 -6.863 -12.828 3.786 1.00 0.00 C ATOM 1751 OE1 GLU B 22 -6.173 -13.545 3.043 1.00 0.00 O ATOM 1752 OE2 GLU B 22 -7.357 -13.274 4.834 1.00 0.00 O ATOM 0 H GLU B 22 -7.604 -9.927 0.055 1.00 0.00 H new ATOM 0 HA GLU B 22 -7.253 -12.593 1.257 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -8.481 -10.161 2.374 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -9.100 -11.745 2.797 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -6.189 -10.968 3.002 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -7.333 -10.823 4.322 1.00 0.00 H new ATOM 1759 N ASP B 23 -9.260 -13.254 0.011 1.00 0.00 N ATOM 1760 CA ASP B 23 -10.281 -13.743 -0.890 1.00 0.00 C ATOM 1761 C ASP B 23 -11.689 -13.404 -0.405 1.00 0.00 C ATOM 1762 O ASP B 23 -12.102 -13.818 0.674 1.00 0.00 O ATOM 1763 CB ASP B 23 -10.133 -15.244 -1.097 1.00 0.00 C ATOM 1764 CG ASP B 23 -11.050 -15.756 -2.171 1.00 0.00 C ATOM 1765 OD1 ASP B 23 -12.192 -16.095 -1.875 1.00 0.00 O ATOM 1766 OD2 ASP B 23 -10.625 -15.838 -3.341 1.00 0.00 O ATOM 0 H ASP B 23 -8.683 -13.994 0.410 1.00 0.00 H new ATOM 0 HA ASP B 23 -10.140 -13.237 -1.845 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -9.101 -15.474 -1.361 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -10.345 -15.762 -0.162 1.00 0.00 H new ATOM 1771 N PRO B 24 -12.435 -12.616 -1.185 1.00 0.00 N ATOM 1772 CA PRO B 24 -13.787 -12.221 -0.839 1.00 0.00 C ATOM 1773 C PRO B 24 -14.849 -13.151 -1.429 1.00 0.00 C ATOM 1774 O PRO B 24 -16.035 -12.802 -1.493 1.00 0.00 O ATOM 1775 CB PRO B 24 -13.891 -10.833 -1.459 1.00 0.00 C ATOM 1776 CG PRO B 24 -12.988 -10.867 -2.662 1.00 0.00 C ATOM 1777 CD PRO B 24 -12.001 -11.997 -2.454 1.00 0.00 C ATOM 0 HA PRO B 24 -13.964 -12.253 0.236 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -14.918 -10.606 -1.744 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -13.578 -10.063 -0.754 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -13.567 -11.025 -3.572 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -12.466 -9.917 -2.777 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -12.031 -12.710 -3.278 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -10.978 -11.627 -2.389 1.00 0.00 H new ATOM 1785 N GLY B 25 -14.434 -14.298 -1.841 1.00 0.00 N ATOM 1786 CA GLY B 25 -15.330 -15.247 -2.446 1.00 0.00 C ATOM 1787 C GLY B 25 -15.620 -16.369 -1.500 1.00 0.00 C ATOM 1788 O GLY B 25 -15.833 -17.508 -1.951 1.00 0.00 O ATOM 1789 OXT GLY B 25 -15.601 -16.137 -0.272 1.00 0.00 O ATOM 0 H GLY B 25 -13.466 -14.614 -1.773 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -16.259 -14.751 -2.727 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -14.889 -15.640 -3.362 1.00 0.00 H new TER 1793 GLY B 25